bluuebunny/crossref_metadata_2025 huggingface dataset:
Blue Light Emitting Defective Nanocrystals Composed of Earth‐Abundant Elements
Authors: Hansen Eric C. , Liu Yun , Utzat Hendrik , Bertram Sophie N. , Grossman Jeffrey C. , Bawendi Moungi G.
Published: November 2019

Copper‐based ternary (I–III–VI) chalcogenide nanocrystals (NCs) are compositionally‐flexible semiconductors that do not contain lead (Pb) or cadmium (Cd). Cu‐In‐S NCs are the dominantly studied member of this important materials class and have been reported to contain optically‐active defect states. However, there are minimal reports of In‐free compositions that exhibit efficient photoluminescence (PL). Here, we report a novel solution‐phase synthesis of ≈4 nm defective nanocrystals (DNCs) composed of copper, aluminum, zinc, and sulfur with ≈20 % quantum yield and an attractive PL maximum of 450 nm. Extensive spectroscopic characterization suggests the presence of highly localized electronic states resulting in reasonably fast PL decays (≈1 ns), large vibrational energy spacing, small Stokes shift, and temperature‐independent PL linewidth and PL lifetime (between room temperature and ≈5 K). Furthermore, density functional theory (DFT) calculations suggest PL transitions arise from defects within a CuAl5S8 crystal lattice, which supports the experimental observation of highly‐localized states. The results reported here provide a new material with unique optoelectronic characteristics that is an important analog to well‐explored Cu‐In‐S NCs.
Supramolecular Surface Charge Regulation in Ionic Covalent Organic Nanosheets: Reversible Exfoliation and Controlled Bacterial Growth
Authors: Mal Arindam , Vijayakumar Samiyappan , Mishra Rakesh K. , Jacob Jubi , Pillai Renjith S. , Dileep Kumar B. S. , Ajayaghosh Ayyappanpillai
Published: November 2019

Poor control on the exfoliation of covalent organic frameworks (COFs) remains a disadvantage for their application as two‐dimensional nanosheets. An equally important problem is the reversible control at the available surface charges on COFs. Herein, a strategy for the reversible exfoliation, re‐stacking, and surface‐charge control of a propidium iodide based ionic covalent organic framework, PI‐TFP, using cucurbit[7]uril (CB[7]) induced molecular recognition, is reported. The surface charge on PI‐TFP facilitates its initial self‐exfoliation. However, complexation with CB[7] resulted in re‐stacking with concomitant decrease in zeta potential from +28±3.0 to +0.004±0.003 mV. Addition of 1‐adamantylamine hydrochloride (AD) facilitates decomplexation of PI‐TFP from CB[7], resulting in exfoliation and an increase in zeta potential to +24±3.0 mV. Such control on the exfoliation, re‐stacking, and the associated regulation of the surface charge in PI‐TFP was exploited for controlling bacterial growth. Thus, the activity of E. coli and S. aureus bacteria obtained with the self‐exfoliated PI‐TFP could be reversibly controlled by the CB[7]/AD pair.
Nickel‐Catalyzed 1,2‐Diarylation of Alkenyl Carboxylates: A Gateway to 1,2,3‐Trifunctionalized Building Blocks
Authors: Derosa Joseph , Kang Taeho , Tran Van T. , Wisniewski Steven R. , Karunananda Malkanthi K. , Jankins Tanner C. , Xu Kane L. , Engle Keary M.
Published: November 2019

A nickel‐catalyzed conjunctive cross‐coupling of alkenyl carboxylic acids, aryl iodides, and aryl/alkenyl boronic esters is reported. The reaction delivers the desired 1,2‐diarylated and 1,2‐arylalkenylated products with excellent regiocontrol. To demonstrate the synthetic utility of the method, a representative product is prepared on gram scale and then diversified to eight 1,2,3‐trifunctionalized building blocks using two‐electron and one‐electron logic. Using this method, three routes toward bioactive molecules are improved in terms of yield and/or step count. This method represents the first example of catalytic 1,2‐diarylation of an alkene directed by a native carboxylate group.
Photoinduced Multiple Effects to Enhance Uranium Extraction from Natural Seawater by Black Phosphorus Nanosheets
Authors: Yuan Yihui , Niu Biye , Yu Qiuhan , Guo Xin , Guo Zhanhu , Wen Jun , Liu Tao , Zhang Haiquan , Wang Ning
Published: November 2019

Based on the photoinduced photothermal, photoelectric, and photocatalytic effects of black phosphorus (BP) nanosheets, a BP‐PAO fiber with enhanced uranium extraction capacity and high antibiofouling activity is fabricated by compositing BP nanosheets into polyacrylamidoxime (PAO). The photothermal effect increases the coordination interaction between UO22+ and the functional amidoxime group, and the photoelectric effect produces the surface positive electric field that exhibits electrostatic attraction to the negative [UO2(CO3)3]4−, which all increase the capacity for uranium adsorption. The photocatalytic effect endows the adsorbent with high antibiofouling activity by producing biotoxic reactive oxygen species. Owing to these three photoinduced effects, the photoinduced BP‐PAO fiber shows a high uranium adsorption capacity of 11.76 mg g−1, which is 1.50 times of the PAO fiber, in bacteria‐containing natural seawater.
Syntheses of Atypically Fluorinated Peptidyl Macrocycles through Sequential Vinylic Substitutions
Authors: Tsunemi Tomoyuki , Bernardino Salvador J. , Mendoza Angel , Jones Christopher G. , Harran Patrick G.
Published: November 2019

Small peptides containing combinations of cysteine, tyrosine, histidine, and serine residues react with octafluorocyclopentene (OFCP) to afford atypically structured macrocycles through successive vinylic substitutions. The reactions proceed rapidly in air at 0 °C and are tolerant of spectating tryptophan, asparagine, glutamine, and threonine residues. Hexapeptides of consensus sequence YXCXXC displace four fluorine atoms from OFCP to generate fluorinated macrobicyclic compounds that display dual‐turn surfaces. The method provides facile access to a wide range of previously unknown heterocyclic structures.
Rapid Syntheses of (−)‐FR901483 and (+)‐TAN1251C Enabled by Complexity‐Generating Photocatalytic Olefin Hydroaminoalkylation
Authors: Reich Dominik , Trowbridge Aaron , Gaunt Matthew J.
Published: November 2019

We report a common strategy to facilitate the syntheses of the polycyclic alkaloids (−)‐FR901483 (1) and (+)‐TAN1251C (2). A divergent synthetic strategy provides access to both natural products through a pivotal spirolactam intermediate (3), which can be accessed on a gram‐scale. A photocatalytic olefin hydroaminoalkylation brings together three readily available building blocks and forges the majority of the carbon framework present in 1 and 2 in a single operation, leading to concise total syntheses. The complexity‐generating photocatalytic process also provides direct access to novel non‐racemic spirolactam scaffolds that are likely to be of interest to early‐stage drug discovery programs.
Total Synthesis and Structural Revision of a Harziane Diterpenoid
Authors: Hönig Moritz , Carreira Erick M.
Published: November 2019

The first total synthesis of nominal harziane diterpenoid 1 is disclosed, whose spectral characteristics did not match those of the reported natural product. Stereochemical analysis and subsequent synthesis of the epimeric tertiary alcohol led to reassignment of configuration of the natural product as shown for 2. At the heart of the synthesis is an enyne cycloisomerization that sets a key quaternary stereocenter within a cyclobutane with high diastereocontrol. The route features strategies for the synthesis of the highly congested 6‐5‐7‐4 carbon skeleton characteristic of the caged harziane diterpenoids.
Isatin–azole hybrids and their anticancer activities
Authors: Hou Yani , Shang Congshan , Wang Hui , Yun Jie
Published: November 2019

Isatin and azole moieties, which have the ability to form various noncovalent interactions with different therapeutic targets, are common pharmacophores in drug development. Isatin and azole derivatives possess promising in vitro and in vivo anticancer activity, and many of them, such as semaxanib, sunitinib, and carboxyamidotriazole, could be used to treat various cancers. Thus, it is conceivable that hybridization of the isatin moiety with azole may provide a valuable therapeutic intervention for the treatment of cancer. Substantial efforts have been made to develop isatin–azole hybrids as novel anticancer agents, and some of the isatin–azole hybrids exhibited considerable activity. This review emphasizes isatin–azole hybrids with potential anticancer activity, covering articles published between 2010 and 2019. The structure–activity relationships as well as the mechanisms of action are also discussed to provide insights for the rational design of more effective candidates.
WB‐PBPK approach in predicting zidovudine pharmacokinetics in preterm neonates
Authors: Wei Liuya , Mansoor Najia , Khan Rafeeq Alam , Czejka Martin , Ahmad Tasneem , Ahmed Mansoor , Ali Mohsin , Yang Dong‐Hua
Published: November 2019

Antiretroviral therapy has been the mainstay of treatment for neonates born to HIV infected mothers. Neonates born prematurely to HIV positive mothers are underdeveloped not only in anatomical terms but also in their physiological systems. Zidovudine, the first antiretroviral drug in clinical therapy for the treatment of HIV has been approved for use in preterm neonates both prophylactically and therapeutically. The present work describes the whole body physiologically based pharmacokinetic (WB‐PBPK) model development for zidovudine in preterm neonates of varying gestational ages, to observe the pharmacokinetic behavior of the drug in this vulnerable group of the population. Along with the height, weight, post‐natal, and gestational ages of the preterm neonates, metabolic enzymes CYP2A6, CYP2C8, etc. were incorporated for each neonate. The composition of the different organs in terms of water and lipid components, blood flow rates, etc. were specified during simulations according to the gestational ages of these neonates. The following PK parameters were estimated for preterm neonates using simulated plasma profiles: AUC 2686.41 ± 123.49 μmol min/L, Cmax 6.46 ± 0.74 μmol/L, half‐life 8.98 ± 2.36 hr, mean residence time 12.23 ± 3.43 hr, and total plasma clearance 1.48 ± 0.19 ml/min/kg in comparison with the observed PK parameters of a clinical study by Mirochknic et al. in preterm neonates with AUC 2020.04 μmol/min/L, Cmax 6.10 μmol/L, and total plasma clearance 1.62 ml/min/kg. PBPK simulations provide an opportunity to visualize the possible impact of physiological maturity levels at varying gestational ages on the pharmacokinetic behavior of zidovudine in preterm neonates.
Pharmacokinetic profile analyses for inhaled drugs in humans using the lung delivery and disposition model
Authors: Raut Anuja , Dhapare Sneha , Venitz Jürgen , Sakagami Masahiro
Published: November 2019

The kinetic clarification of lung disposition for inhaled drugs in humans via pharmacokinetic (PK) modeling aids in their development and regulation for systemic and local delivery, but remains challenging due to its multiplex nature. This study exercised our lung delivery and disposition kinetic model to derive the kinetic descriptors for the lung disposition of four drugs [calcitonin, tobramycin, ciprofloxacin and fluticasone propionate (FP)] inhaled via different inhalers from the published PK profile data. With the drug dose delivered to the lung (DTL) estimated from the corresponding γ‐scintigraphy or in vivo predictive cascade impactor data, the model‐based curve‐fitting and statistical moment analyses derived the rate constants of lung absorption (ka) and non‐absorptive disposition (knad). The ka values differed substantially between the drugs (0.05–1.00 h−1), but conformed to the lung partition‐based membrane diffusion except for FP, and were inhaler/delivery/deposition‐independent. The knad values also varied widely (0.03–2.32 h−1), yet appeared to be explained by the presence or absence of non‐absorptive disposition in the lung via mucociliary clearance, local tissue degradation, binding/sequestration and/or phagocytosis, and to be sensitive to differences in lung deposition. For FP, its ka value of 0.2 h−1 was unusually low, suggesting solubility/dissolution‐limited slow lung absorption, but was comparable between two inhaler products. Thus, the difference in the PK profile was attributed to differences in the DTL and the knad value, the latter likely originating from different aerosol sizes and regional deposition in the lung. Overall, this empirical, rather simpler model‐based analysis provided a quantitative kinetic understanding of lung absorption and non‐absorptive disposition for four inhaled drugs from PK profiles in humans.
A visual application for teaching pipe flow optimization in engineering curricula
Authors: Türkkan Yusuf Alptekin , Eryılmaz Türkkan Gökçen  , Yılmaz Hamid
Published: November 2019

The main purpose of this study is to investigate the importance of programming in the learning and understanding of water distribution networks. This paper presents the implementation of a programming language C# for applications for teaching water distribution networks calculations at both undergraduate and graduate levels. A user's guide is also prepared for the software which includes the theory of hydraulic and optimization calculations. There are many ways to design water distribution networks. Hardy Cross method is very often used for optimization of networks. Thus, Hardy Cross optimization method was preferred in this study. It is a perfect study to implement as an educational tool at undergraduate and graduate levels of education.
Serial ultra‐deep sequencing of circulating tumor DNA reveals the clonal evolution in non‐small cell lung cancer patients treated with anti‐PD1 immunotherapy
Authors: Li Li , Wang Yubo , Shi Weiwei , Zhu Mengxiao , Liu Zhulin , Luo Nuo , Zeng Yanwu , He Yong
Published: November 2019

Background

Immune‐therapy with anti‐PD1 inhibitors, such as pembrolizumab, is revolutionizing the treatment of non‐small cell lung cancers (NSCLC). However, identifying patients for the potential therapeutic response and predicting therapy resistance and early relapse remains a challenge.

Methods

Between 2016 and 2018, 60 patients were treated with pembrolizumab, among who 12 NSCLC patients had both baseline (before treatment) and serial (on treatment) periodical circulating tumor DNA (ctDNA) samples. Those samples were sequenced on a 329 pan cancer‐related gene panel. Analyses of tumor burden, blood tumor mutational burden (bTMB), maximum somatic allele frequency (MSAF), and tumor clonal structure were performed in association with clinical response. Candidate resistance mutations involved in relapse and metastases were further investigated.

Results

ctDNA was detected and mutational profiling was performed for each patient. Those with a high baseline bTMB level showed significantly improved progression‐free survival (PFS) after pembrolizumab treatment. Tumor burden and therapeutic response significantly correlated with the MSAF instead of the bTMB. Clone analysis detected tumor progression about 2‐4 months ahead of computed tomography (CT) scan. One mutation in gene PTCH1 (Protein patched homolog 1) and two acquired anti‐PD1 candidate resistance mutations of gene B2M (β2 microglobulin) were identified in association with distant metastasis. The evolutionary tree of a representative patient was also described.

Conclusion

This pilot study showed that MSAF could be another good indicator of therapeutic response, and clonal analysis could be clinically useful in monitoring clonal dynamics and detecting remote metastasis and early relapse.
MYST1/KAT8 contributes to tumor progression by activating EGFR signaling in glioblastoma cells
Authors: Dong Zhen , Zou Jiahua , Li Jifu , Pang Yi , Liu Yudong , Deng Chaowei , Chen Fei , Cui Hongjuan
Published: November 2019

With short survival time, glioblastoma (GBM) is the most malignant tumor in the central nervous system. Recently, epigenetic enzymes play essential roles in the regulation of tumorigenesis and cancer development of GBM. However, little is known about MYST1/KAT8/MOF, a histone acetylation enzyme, in GBM. The present study shows that MYST1 promotes GBM progression through activating epidermal growth factor receptor (EGFR) signaling. MYST1 expression was increased in GBM and was negatively correlated with prognosis in patients with glioma and GBM. Knockdown of MYST1 reduced cell proliferation and BrdU incorporation in LN229, U87, and A172 GBM cells. Besides, MYST1 downregulation also induced cell cycle arrest at G2M phase, as well as the reduced expression of CDK1, Cyclin A, Cyclin B1, and increased expression of p21CIP1/Waf1. Meanwhile, Self‐renewal capability in vitro and tumorigenecity in vivo were also impaired after MYST1 knockdown. Importantly, MYST1 expression was lowly expressed in mesenchymal subtype of GBM and was positively correlated with EGFR expression in a cohort from The Cancer Genome Atlas. Western blot subsequently confirmed that phosphorylation and activation of p‐Try1068 of EGFR, p‐Ser473 of AKT and p‐Thr202/Tyr204 of Erk1/2 were also decreased by MYST1 knockdown. Consistent with the results above, overexpression of MYST1 promoted GBM growth and activated EGFR signaling in vitro and in vivo. In addition, erlotinib, a US Food and Drug Administration approved cancer drug which targets EGFR, was able to rescue MYST1‐promoted cell proliferation and EGFR signaling pathway. Furthermore, the transcription of EGF, an EFGR ligand, was shown to be positively regulated by MYST1 possibly via H4K16 acetylation. Our findings elucidate MYST1 as a tumor promoter in GBM and an EGFR activator, and may be a potential drug target for GBM treatment.
Advances in DNA Origami–Cell Interfaces
Authors: Mishra Shubham , Feng Yihong , Endo Masayuki , Sugiyama Hiroshi
Published: November 2019

The nascent field of DNA nanotechnology has undergone rapid growth since its inception. By using DNA as a biologically “safe” material, DNA nanotechnology shows great promise in applications such as drug‐delivery systems. Further progress, however, relies on understanding the different ways in which DNA nanostructures behave in and interact with cells, tissues and even whole organisms. Moreover, this knowledge must then be harnessed in innovative ways to improve existing DNA nanostructures and design new ones, so that they can perform more diverse functions more effectively. There have been many developments in this regard in the past few years, and herein some of these are highlighted, with respect to both works that improve our understanding of what happens to DNA nanostructures once they are at their target site, and those that utilise clever design to accomplish desired functions.
Validation of the Slow Off‐Kinetics of Sirtuin‐Rearranging Ligands (SirReals) by Means of Label‐Free Electrically Switchable Nanolever Technology
Authors: Schiedel Matthias , Daub Herwin , Itzen Aymelt , Jung Manfred
Published: November 2019

We have discovered the sirtuin‐rearranging ligands (SirReals) to be highly potent and selective inhibitors of the NAD+‐dependent lysine deacetylase Sirt2. Using a biotinylated SirReal in combination with biolayer interferometry, we previously observed a slow dissociation rate of the inhibitor–enzyme complex; this had been postulated to be the key to the high affinity and selectivity of SirReals. However, to attach biotin to the SirReal core, we introduced a triazole as a linking moiety; this was shown by X‐ray co‐crystallography to interact with Arg97 of the cofactor binding loop. Herein, we aim to elucidate whether the observed long residence time of the SirReals is induced mainly by triazole incorporation or is an inherent characteristic of the SirReal inhibitor core. We used the novel label‐free switchSENSE® technology, which is based on electrically switchable DNA nanolevers, to prove that the long residence time of the SirReals is indeed caused by the core scaffold.
Severe acute pancreatitis with inflammation extending to the scrotum
Authors: Fukushi Koh , Tominaga Keiichi , Takenaka Kazuhiro , Takahashi Fumiaki , Tsuchida Kouhei , Murohisa Toshimitsu , Iijima Makoto , Irisawa Atsushi
Published: November 2019

Extension of inflammation into the scrotum is rare in acute pancreatitis. If inflammation spreads in the scrotum, it may become severe. Clinicians should be aware of this condition as a possible complication. Proactive imaging testing is recommended when complaining of cyst swelling or testicular pain.
Low‐Temperature Pretreatment of Lignocellulosic Biomass for Enhanced Biogas Production
Authors: Casaretto René , Agdal Emil Brohus Lassen , Cayenne Aadila , Chaturvedi Tanmay , Holm-Nielsen Jens Bo
Published: November 2019

Readily available lignocellulosic biomass as substrate for biogas plants is gaining popularity amongst biogas plant operators. Results of low‐temperature pretreatment (light cooking) of wheat straw to remove waxes and prepare the biomass for microbial action are described. Benefits of light cooking are low thermal energy demand and low investment cost compared to conventional techniques such as steam explosion. The novelty lies in utilizing the low temperature range 25–100 °C for pre‐soaking the biomass. Two different types of wheat straws were pretreated at varying temperatures and sizes. The results were compared with Buswell's equation for theoretical maximum biomethane yield. Compared to untreated straw, pre‐soaking leads to a significantly higher methane yield. Size reduction combined with light‐cooking does not affect the methane yield in the same manner as pre‐soaking of the biomass.
Hydrothermal Synthesis of Tunable Olive‐Like Ni0.8Co0.1Mn0.1CO3 and its Transformation to LiNi0.8Co0.1Mn0.1O2 Cathode Materials for Li‐Ion Batteries
Authors: Lu Yan , Gan Zhanggen , Xia Jin , Du Ke , Peng Zhongdong , Cao Yanbing , Hu Guorong , Xiao Jin
Published: November 2019

Uniform olive‐like Ni0.8Co0.1Mn0.1CO3 carbonate precursors were successfully synthesized under hydrothermal conditions. Powder X‐ray diffraction, field emission scanning electron microscopy, optical microscopy, and inductively coupled plasma optical emission spectroscopy revealed that crystal size and elemental contents of carbonate precursors could be slightly tuned by regulating the molar ratio of urea and transition metal ions, moreover, a synergetic crystal evolution mechanism involving Ostwald ripening and crystal etching for the formation of olive‐like carbonate precursors was put forward for the first time. The improvement in temperature facilitated the increment in size of primary particles of oxides transformed from carbonate precursors. Vermiform LiNi0.8Co0.1Mn0.1O2 cathode materials transformed from olive‐like carbonate precursors exhibited high discharge capacity of 193.4 mAh g−1 at 0.2 C, and capacity retention of 85.4 % at 1 C after 100 cycles. Charge transfer impedance (Rct) and diffusion coefficient of lithium ion (DLi+) revealed the electrochemical properties of cathode materials.
Modeling and implementation of tandem polymer solar cells using wide‐bandgap front cells
Authors: Ko Seo‐Jin , Choi Hyosung , Hoang Quoc Viet , Song Chang Eun , Morin Pierre‐Olivier , Heo Jungwoo , Leclerc Mario , Yoon Sung Cheol , Woo Han Young , Shin Won Suk , Walker Bright , Kim Jin Young
Published: November 2019

Tandem device architectures offer a route to greatly increase the maximum possible power conversion efficiencies (PCEs) of polymer solar cells, however, the complexity of tandem cell device fabrication (such as selecting bandgaps of the front and back cells, current matching, thickness, and recombination layer optimization) often result in lower PCEs than are observed in single‐junction devices. In this study, we analyze the influence of front cell and back cell bandgaps and use transfer matrix modeling to rationally design and optimize effective tandem solar cell structures before actual device fabrication. Our approach allows us to estimate tandem device parameters based on known absorption coefficients and open‐circuit voltages of different active layer materials and design devices without wasting valuable time and materials. Using this approach, we have investigated a series of wide bandgap, high voltage photovoltaic polymers as front cells in tandem devices with PTB7‐Th as a back cell. In this way, we have been able to demonstrate tandem devices with PCE of up to 12.8% with minimal consumption of valuable photoactive materials in tandem device optimization. This value represents one of the highest PCE values to date for fullerene‐based tandem solar cells.
Modulating the Charge‐Transfer Step of a p–n Heterojunction with Nitrogen‐Doped Carbon: A Promising Strategy To Improve Photocatalytic Performance
Authors: Yuan Yusheng , Sun Liming , Zeng Suyuan , Zhan Wenwen , Wang Xiaojun , Han Xiguang
Published: November 2019

Engineering p–n heterojunctions among metal oxide semiconductors to provide a built‐in electric field is an efficient strategy to facilitate the separation of photogenerated electrons and holes and improve their photocatalytic activities. However, the inherent poor conductivity of p–n heterojunctions still limits the charge‐transfer step and thus hampers their practical application in photocatalysis. In this work, a nitrogen‐doped carbon‐coated NiO/TiO2 p–n (NCNT) heterojunction with hierarchical mesoporous sphere morphology was synthesized by in situ pyrolytic decomposition of nickel–titanium complexes. The NiO/TiO2 p–n heterojunction in NCNT was fully characterized by several techniques, supported by theoretical calculations and Mott–Schottky plots. On coating with a thin nitrogen‐doped carbon layer, the electron transfer of the obtained p–n heterojunction could be significantly enhanced. On account of the favorable structural features of the p–n heterojunction with nitrogen‐doped carbon coating and hierarchical mesoporous structure, NCNT exhibited excellent photocatalytic activity toward various reaction systems, including the hydrogen evolution reaction and the visible‐light‐induced hydroxylation of phenylboronic acids.
Vocal divergence is concordant with genomic evidence for strong reproductive isolation in grasshopper mice (Onychomys)
Authors: Campbell Polly , Arévalo Lena , Martin Heather , Chen Charles , Sun Shuzhen , Rowe Ashlee H. , Webster Michael S. , Searle Jeremy B. , Pasch Bret
Published: November 2019

Behavioral barriers to gene flow often evolve faster than intrinsic incompatibilities and can eliminate the opportunity for hybridization between interfertile species. While acoustic signal divergence is a common driver of premating isolation in birds and insects, its contribution to speciation in mammals is less studied. Here we characterize the incidence of, and potential barriers to, hybridization among three closely related species of grasshopper mice (genus Onychomys). All three species use long‐distance acoustic signals to attract and localize mates; Onychomys arenicola and Onychomys torridus are acoustically similar and morphologically cryptic whereas Onychomys leucogaster is larger and acoustically distinct. We used genotyping‐by‐sequencing (GBS) to test for evidence of introgression in 227 mice from allopatric and sympatric localities in the western United States and northern Mexico. We conducted laboratory mating trials for all species pairs to assess reproductive compatibility, and recorded vocalizations from O. arenicola and O. torridus in sympatry and allopatry to test for evidence of acoustic character displacement. Hybridization was rare in nature and, contrary to prior evidence for O. torridus/O. arenicola hybrids, only involved O. leucogaster and O. arenicola. In contrast, laboratory crosses between O. torridus and O. arenicola produced litters whereas O. leucogaster and O. arenicola crosses did not. Call fundamental frequency in O. torridus and O. arenicola was indistinguishable in allopatry but significantly differentiated in sympatry, a pattern consistent with reproductive character displacement. These results suggest that assortative mating based on a long‐distance signal is an important isolating mechanism between O. torridus and O. arenicola and highlight the importance of behavioral barriers in determining the permeability of species boundaries.
A study on intelligent security camera system based on sequential motion recognition by using deep learning
Authors: Nagayama Itaru , Miyahara Akira , Shimabukuro Koichi
Published: November 2019

In this paper, we propose a new intelligent security camera system, which is named COMDES, for automated detection of snatching incidents on streets during the night by using long short‐term memory (LSTM) network. Although over a half of all snatching incidents occur at night, this has not been considered in past studies. Thus, we have proposed an intelligent security camera system using a deep neural network and snapshot of a video frame to detect snatching incidents in the night by our previous paper. The COMDES can perform more efficient detection of snatching than our previous paper by using sequential frames observed in the criminal scene and LSTM. It can classify the situations into criminal or noncriminal scenes precisely. The experimental results show that the system, COMDES, can effectively detect snatching incidents with an accuracy of 98.89%.
Water‐isotope ecohydrology of Mount Kilimanjaro
Authors: Bodé Samuel , De Wispelaere Lien , Hemp Andreas , Verschuren Dirk , Boeckx Pascal
Published: November 2019

Notwithstanding its crucial importance for assessing the vulnerability of tropical mountain ecosystems to both local anthropogenic pressure and climate change, knowledge of the relationships between climate, hydrology, and vegetation on Mount Kilimanjaro is highly fragmentary. Unraveling the pathway of water from precipitation to transpiration can also help validate paleoclimate proxies derived from the hydrogen‐ and oxygen‐isotopic signatures of plant compounds, such as leaf waxes. We measured δ2H and δ18O in precipitation, stream, and soil water, and in xylem and leaf water of locally common plants, for four successive seasons along a 3,000‐m altitudinal transect covering lowland savannah, lower and upper montane forest, and the subalpine zone on Mount Kilimanjaro. Across all four bioclimatic zones, δ2H and δ18O in precipitation decreased with monthly precipitation amount at a rate of −8 ± 2‰ and −1.0 ± 0.3‰ per 100 mm, respectively. Our xylem‐water isotope data indicate that plants in general took up topsoil water during the northeasterly monsoon season and short dry season and gradually shifted to deeper soil water during the southeasterly monsoon season and the main dry season. Savannah trees and shrubs tapped from a water pool recharged by source water with a relatively constant isotopic signature. This observation conforms to the “two water worlds” hypothesis and implies a possible seasonal bias in plant‐derived paleohydrological proxies. Finally, our results show strong correlation between xylem‐to‐leaf water‐isotopic enrichment and ambient relative humidity, despite a bias in the savannah that we attribute to a leaf‐cooling mechanism in this warm, semi‐arid environment.
Plasma proteomic approach in patients with heart failure: insights into pathogenesis of disease progression and potential novel treatment targets
Authors: Cao Thong H. , Jones Donald J.L. , Voors Adriaan A. , Quinn Paulene A. , Sandhu Jatinderpal K. , Chan Daniel C.S. , Parry Helen M. , Mohan Mohapradeep , Mordi Ify R. , Sama Iziah E. , Anker Stefan D. , Cleland John G. , Dickstein Kenneth , Filippatos Gerasimos , Hillege Hans L. , Metra Marco , Ponikowski Piotr , Samani Nilesh J. , Van Veldhuisen Dirk J. , Zannad Faiez , Lang Chim C. , Ng Leong L.
Published: November 2019

Aims

To provide insights into pathogenesis of disease progression and potential novel treatment targets for patients with heart failure by investigation of the plasma proteome using network analysis.

Methods and results

The plasma proteome of 50 patients with heart failure who died or were rehospitalised were compared with 50 patients with heart failure, matched for age and sex, who did not have an event. Peptides were analysed on two‐dimensional liquid chromatography coupled to tandem mass spectrometry (2D LC ESI‐MS/MS) in high definition mode (HDMSE). We identified and quantified 3001 proteins, of which 51 were significantly up‐regulated and 46 down‐regulated with more than two‐fold expression changes in those who experienced death or rehospitalisation. Gene ontology enrichment analysis and protein–protein interaction networks of significant differentially expressed proteins discovered the central role of metabolic processes in clinical outcomes of patients with heart failure. The findings revealed that a cluster of proteins related to glutathione metabolism, arginine and proline metabolism, and pyruvate metabolism in the pathogenesis of poor outcome in patients with heart failure who died or were rehospitalised.

Conclusions

Our findings show that in patients with heart failure who died or were rehospitalised, the glutathione, arginine and proline, and pyruvate pathways were activated. These pathways might be potential targets for therapies to improve poor outcomes in patients with heart failure.
An Experimental and Theoretical Study of the Structures and Properties of [CDPMe‐Ni(CO)3] and [Ni2(CO)4(µ2‐CO)(µ2‐CDPMe)]
Authors: Flosdorf Kimon , Jiang Dandan , Zhao Lili , Neumüller Bernhard , Frenking Gernot , Kuzu Istemi
Published: November 2019

The reaction ofsym‐dimethyltetraphenyl carbodiphosphorane (CDPMe) with [Ni(CO)4] under standard conditions yields the CDPMe‐ and carbon monoxide‐bridged dinickel pentacarbonyl complex [Ni2(CO)4(µ2‐CO)(µ2‐CDPMe)] (2). However, under an atmosphere of CO(g), reaction of [Ni(CO)4] with CDPMegives the primal target complex [CDPMe‐Ni(CO)3] (3). The complexes were examined in solution (ESI‐MS, NMR) and in the solid state (IR, X‐ray diffraction analysis). The resultingTolman electronic parameter(TEP) and percentage buried volume value (%Vbur) of CDPMeare presented and compared with hexaphenyl carbodiphosphorane (CDPPh). DFT calculations were performed to analyze the bonding situation in complexes2and3.
Identification and Quantification of Single and Multi‐Adulteration of Beeswax by FTIR‐ATR Spectroscopy
Authors: Tanner Norman , Lichtenberg‐Kraag Birgit
Published: November 2019

Marketing of adulterated beeswax foundation has recently become a major economic problem for beekeepers. Paraffin contamination leads to collapse of combs, and stearic acid has a negative influence on the development of bee brood. The quality of beeswax for beekeeping has not been standardized in EU regulations. Recently, it was shown that attenuated total reflectance Fourier‐transform infrared spectroscopy (FTIR‐ATR) can be used to determine beeswax adulteration. Differences in the IR spectra of authentic beeswax can be identified and calculated through comparison with authentic beeswax. In this study, the method is further validated by employing a high number of samples of authentic beeswax from different origins. Low quantification and detection limits are achieved for paraffin, stearic acid, tallow, carnauba wax, and candelilla wax. Furthermore, the FTIR‐ATR analytical conditions are verified by analyzing 358 samples of commercial and beekeeper‐produced beeswax foundations. Multi‐adulterated samples with as many as five different additives in beeswax mixtures are identified with the same accuracy as single substances. Additionally, the spectra of a further 14 different natural and synthetic waxes and hardened fats are analyzed and are compared with beeswax. Finally, a spectral library is established that can be used for further studies.

Practical Applications: FTIR‐ATR is a fast and cost‐efficient tool in beeswax analysis for accurately monitoring a high sample volume. Analysis of 358 beeswax foundations showed an adulteration of 21.8% of the samples with paraffin, stearic acid, tallow, and combinations. Based on the results of this study, it is possible to detect beeswax adulteration of less than 3% of these adulterants and their combinations by FTIR‐ATR spectroscopy. This method can be used for monitoring beeswax foundations to identify adulterated materials, exclude these materials from the recycling process, and produce high‐quality beeswax, which is essential for bee health.
Reductions of Imines Using Zirconocene Chloride Hydride
Authors: Vargová Denisa , Mudráková Brigita , Némethová Ivana , Šebesta Radovan
Published: November 2019

Herein, we describe the fast, chemoselective, and clean reduction of imines with zirconocene chloride hydride. The reaction works well on aromatic and enolizable aliphatic aldimines, as well as ketimines. A range of N‐protecting groups and various functional groups were tolerated in the imine structure. The corresponding amines were obtained in high yields (65 % – quantitative) in short reaction times, and often, no purification was required other than standard aqueous workup and a short filtration.
“A Golly was simply a toy. End of”: Inoculation, attention deflection, and attempted puzzle‐resolution in contesting racism in online discussions
Authors: McVittie Chris , McKinlay Andy , Munro Rachel
Published: November 2019

In producing arguments against minority groups that are designed to avoid accusations of prejudice, speakers routinely deploy two discursive strategies. One strategy of “inoculation” seeks to ward off such accusations, while the other strategy of “attention deflection” directs attention away from the potential target group. Where despite use of one or both strategies accusations arise, the result is a puzzle that needs to be resolved through explanation. Here, in a discourse analysis of online discussions as to whether “blacking up” is to count as racism, we see contributors contest (a) whether absence of intention to offend inoculates individuals from accountability for potentially racist actions, (b) whether “blacking up” depicts toys/characters rather than people, and (c) whether attempted explanations of accusations of racism work to resolve the apparent puzzle that has arisen. Contributors do not reach any consensus. These findings point to the difficulties in attempting to challenge potential racism.
Target‐stimulated DNAzyme Concatamers Released from Aptasensor for Highly Sensitive and Specific Detection of Progesterone
Authors: Shi Weiping , Liu Bingqian
Published: November 2019

Aiming at the detection of ultralow concentration target progesterone (Pro), a novel electrochemical aptasensor based on DNAzyme concatamers signal amplification strategy was proposed. The strategy consists of target DNA strands (TDNAs), and two different hairpin DNA molecules (H1 and H2). The signal is amplified by the large amount of DNAzyme. The TDNAs modified on the electrode open H1 structures in sequence and propagate a reaction of hybridization events between two alternating hairpins (H1and H2) to obtain abundant DNAzyme concatamers. Upon target Pro introduction, a specific Pro‐TDNAs reaction was executed, thereby resulting in the release of DNAzyme concatamers from the electrode. Subsequent differential pulse voltammetry(DPV) detection of aminoazobenzene (DAP) resulting by DNAzyme catalyze the oxidation of o‐phenylenediamine (OPD) with the aid of hydrogen peroxide (H2O2). Likewise, a small amount of target Pro can efficiently induce the release of a large number of the DNAzyme from the electrode in the form of DNAzyme concatamer. Under optimal conditions, the the proposed assay presents good electrochemical responses for determination of target Pro in the range of 0.5 to 15 ng/mL with the detection limit of 0.36 ng/mL. In addition, the resulting sensor can successfully distinguish Pro from coexisting interfering substance and show good stability and high repeatability. What's more, the methodology has also been demonstrated by assaying Pro‐spiked samples in serum.
Statistical analyses of reservoir and fracturing parameters for a multifractured shale oil reservoir in Mississippi
Authors: Yang Xu , Guo Boyun
Published: November 2019

The use of multifractured horizontal wells has improved the efficiency of hydrocarbon extraction from shale gas and oil plays. It is highly desirable to estimate the characteristics of the reservoir and well fracturing through production data analysis. Production rate transient data from 16 wells in the Mississippi sections were analyzed to estimate local reservoir permeability and hydraulic fracture parameters. Key factors affecting well productivity have been identified for optimizing future well completion. Based on the theory of distance of investigation during transient linear flow, the reservoir matrix permeability of TMS was estimated to be between 53 nd and 210 nd, averaging at 116 nd. The matrix permeability follows the lognormal distribution and is considered homogeneous according to the coefficient of variation. The fracture half‐length was estimated using the matrix permeability data from the rate transient analysis. The fracture half‐length was found to have a mean value of 234 ft with a standard deviation of 66 ft in a normal distribution. The fracture conductivity was back‐calculated by matching pseudosteady production rate data to Guo et al's (SPE Reserve Eval Eng.12, 2009, 879) productivity model for boundary‐dominated flow. The fracture conductivity was estimated to range from 0.4 md‐ft to 3.2 md‐ft, averaging at 1.4 md‐ft. Based on Guo et al's (SPE Reserve Eval Eng.12, 2009, 879) well productivity model applied to TMS condition, well productivity can be improved significantly by increasing fracture length and conductivity. Future TMS wells should be completed with conductivity values of greater than 10 md‐ft.
Fake news detection using deep learning models: A novel approach
Authors: Kumar Sachin , Asthana Rohan , Upadhyay Shashwat , Upreti Nidhi , Akbar Mohammad
Published: November 2019

With the ever increase in social media usage, it has become necessary to combat the spread of false information and decrease the reliance of information retrieval from such sources. Social platforms are under constant pressure to come up with efficient methods to solve this problem because users' interaction with fake and unreliable news leads to its spread at an individual level. This spreading of misinformation adversely affects the perception about an important activity, and as such, it needs to be dealt with using a modern approach. In this paper, we collect 1356 news instances from various users via Twitter and media sources such as PolitiFact and create several datasets for the real and the fake news stories. Our study compares multiple state‐of‐the‐art approaches such as convolutional neural networks (CNNs), long short‐term memories (LSTMs), ensemble methods, and attention mechanisms. We conclude that CNN + bidirectional LSTM ensembled network with attention mechanism achieved the highest accuracy of 88.78%, whereas Ko et al tackled the fake news identification problem and achieved a detection rate of 85%.
Rumen biohydrogenation of linoleic and linolenic acids is reduced when esterified to phospholipids or steroids
Authors: Lashkari Saman , Bonefeld Petersen Majbritt , Krogh Jensen Søren
Published: November 2019

Manipulation of rumen biohydrogenation (BH) is of great importance, since decreased BH of linolenic acid (LNA) and linoleic acid (LA) is linked to increased content of the beneficial polyunsaturated fatty acids (PUFA) in dairy products and decreased content of trans fatty acids (FAs). We hypothesized that PUFA esterified to the complex lipid fractions are less prone to BH compared with PUFA esterified to the simple lipid fractions due to reduced lipolysis. In vitro rumen BH of different single lipid fractions was investigated, including free fatty acids (FFA), and esterified FA to triglycerides (TG), cholesterol esters (CE), and phospholipids (PL). A mixture of a buffer solution and rumen fluid was incubated with different lipid fractions, and C18 FAs were quantified by gas chromatography. In vitro BH kinetic parameters were quantified according to Michaelis–Menten equation and the maximum BH (Vmax) and time to achieve 50% of maximum amount (KM) estimated. Regardless of fatty acids, BH in CE and PL was lower than FFA and TG. The highest amount of cis‐9, trans‐11 conjugated linoleic acid (CLA) and trans‐10, cis‐12 CLA was observed in lipid fractions containing LA and LNA, respectively, regardless of lipid fractions. The present study demonstrates the importance of lipid fractions on BH of LNA and LA and formation of CLA isomers. The results show that BH of FAs depends on the lipid fractions.
Real‐time presurgical resting‐state fMRI in patients with brain tumors: Quality control and comparison with task‐fMRI and intraoperative mapping
Authors: Vakamudi Kishore , Posse Stefan , Jung Rex , Cushnyr Brad , Chohan Muhammad O.
Published: November 2019

Resting‐state functional magnetic resonance imaging (rsfMRI) is a promising task‐free functional imaging approach, which may complement or replace task‐based fMRI (tfMRI) in patients who have difficulties performing required tasks. However, rsfMRI is highly sensitive to head movement and physiological noise, and validation relative to tfMRI and intraoperative electrocortical mapping is still necessary. In this study, we investigate (a) the feasibility of real‐time rsfMRI for presurgical mapping of eloquent networks with monitoring of data quality in patients with brain tumors and (b) rsfMRI localization of eloquent cortex compared with tfMRI and intraoperative electrocortical stimulation (ECS) in retrospective analysis. Five brain tumor patients were studied with rsfMRI and tfMRI on a clinical 3T scanner using MultiBand(8)‐echo planar imaging (EPI) with repetition time: 400 ms. Moving‐averaged sliding‐window correlation analysis with regression of motion parameters and signals from white matter and cerebrospinal fluid was used to map sensorimotor and language resting‐state networks. Data quality monitoring enabled rapid optimization of scan protocols, early identification of task noncompliance, and head movement‐related false‐positive connectivity to determine scan continuation or repetition. Sensorimotor and language resting‐state networks were identifiable within 1 min of scan time. The Euclidean distance between ECS and rsfMRI connectivity and task‐activation in motor cortex, Broca's, and Wernicke's areas was 5–10 mm, with the exception of discordant rsfMRI and ECS localization of Wernicke's area in one patient due to possible cortical reorganization and/or altered neurovascular coupling. This study demonstrates the potential of real‐time high‐speed rsfMRI for presurgical mapping of eloquent cortex with real‐time data quality control, and clinically acceptable concordance of rsfMRI with tfMRI and ECS localization.
Association of maternity waiting home utilization with women's perceived geographic barriers and delivery complications in Ethiopia
Authors: Getachew Biniam , Liabsuetrakul Tippawan , Gebrehiwot Yirgu
Published: November 2019

Objectives

The aim of this study is to identify the influence of perceived geographic barriers to the utilization of maternity waiting homes (MWHs) and to explore factors associated with current delivery complications among MWH users and nonusers.

Methods

An observational cross‐sectional study was conducted between December 2017 and June 2018 in eight health facilities with MWH in the Gurage zone of Ethiopia. The associated factors were identified by using the combination of a directed acyclic graph (DAG) concept and multiple logistic regression for data analysis.

Results

A total of 716 women were included in the study, of whom 358 were MWH users. MWH users had lower odds of having delivery complications. Lower odds of delivery complications were found among women who gave birth in non‐cesarean section (CS) facilities. Women with pregnancy complications and did not used MWH were more likely to develop delivery complications. Women with delivery complications had higher odds of undergoing cesarean delivery and neonatal death.

Conclusions

Geographic barriers influenced the utilization of MWH. The women who used MWH had lower delivery complications. This study strengthens the evidence of MWH utilization as a useful strategy to overcome geographic barriers and lower delivery complications.