bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effectiveness of short-term air quality emission controls: a high-resolution model study of Beijing during the Asia-Pacific Economic Cooperation (APEC) summit period
Authors: Ansari Tabish Umar , Wild Oliver , Li Jie , Yang Ting , Xu Weiqi , Sun Yele , Wang Zifa 
Published: July 2019

Abstract. We explore the impacts of short-term emission controls on haze events in Beijing in October–November 2014 using high-resolution Weather Research and Forecasting model with Chemistry (WRF-Chem) simulations. The model reproduces surface temperature and relative humidity profiles over the period well and captures the observed variations in key atmospheric pollutants. We highlight the sensitivity of simulated pollutant levels to meteorological variables and model resolution and in particular to treatment of turbulent mixing in the planetary boundary layer. We note that simulating particle composition in the region remains a challenge, and we overpredict NH4 and NO3 at the expense of SO4. We find that the emission controls implemented for the Asia-Pacific Economic Cooperation (APEC) summit period made a relatively small contribution to improved air quality (20 %–26 %), highlighting the important role played by favourable meteorological conditions over this period. We demonstrate that the same controls applied under less favourable meteorological conditions would have been insufficient in reducing pollutant levels to meet the required standards. Continued application of these controls over the 6-week period considered would only have reduced the number of haze days when daily mean fine particulate matter exceeds 75 µg m−3 from 15 to 13 d (days). Our study highlights the limitations of current emission controls and the need for more stringent measures over a wider region during meteorologically stagnant weather.
Green Liquid Chromatographic Methods with Ultraviolet and Tandem Mass Spectrometry Detection: An Application to Ternary Mixture of Paracetamol, Pseudoephedrine, and Cetirizine in Capsules
Authors: Youssef Souha H , Mohamed Dalia , Hegazy Maha A , Badawey Amr 
Published: July 2019

Abstract
Background: Effective chromatographic methods were developed for the determination of a multicomponent capsule prescribed for treating the common cold. Greening approaches were adopted as opposed to conventional methods. Objectives: Two novel, green chromatographic methods were established to quantitatively analyze the combination. Methods: First, an HPLC/UV method utilizing green solvents (water and ethanol) and acetic acid to adjust pH at 5 was accomplished. The stationary phase was a ZorbaxSB-C18 column (150 × 4.6 mm, 5 μm), and peaks were detected at 215 nm. The second method is a highly sensitive ultra-performance LC (UPLC)-MS/MS method in which the greening approach was established through the reduction of the analysis time (2 min), decreased solvent consumption (flow rate 300 μL/min), and the utilization of a small volume of samples (injection volume 2 μL). The mixture was separated using a UPLC-BEH C18 column (50 × 2.1 mm, 1.7 μm) with an isocratic elution using methanol–0.1% formic acid aqueous solution (60+40, v/v) as mobile phase and utilizing diphenhydramine as an internal standard. Positive-ion electrospray ionization and multiple reaction monitoring were applied for detection. Results: Recovery percentages for paracetamol, pseudoephedrine, and cetirizine were 101.70 ± 0.969, 100.18 ± 1.563, and 99.67 ± 1.429 for the HPLC method and 99.18 ± 1.172, 100.03 ± 0.883, and 99.82 ± 0.912 for the UPLC-MS/MS method, respectively. Conclusions: The proposed methods efficiently analyzed paracetamol, pseudoephedrine, and cetirizine in Allercet Cold® capsules. Validation of the proposed methods was in accordance with the International Conference on Harmonization recommendations, and statistical comparison with the reported method displayed no significant difference regarding accuracy and precision. Highlights: Paracetamol, pseudoephedrine, and cetirizine were successfully quantified using two chromatographic methods. The HPLC method developed is considered green, using water and ethanol as a mobile phase. The UPLC-MS/MS method was rapid and determined the three drugs with accuracy at nanogram levels.
Vers une clarification de l’intrusivité des applications mobiles servicielles : le cas du gaspillage alimentaire
Authors: Gonzalez Christine , Siadou-Martin Béatrice 
Published: July 2019

Afin de se positionner comme des partenaires bienveillants des consommateurs, marques et enseignes développent des applications mobiles « servicielles » qui construisent leur proposition de valeur sur l’utilité et la praticité pour les consommateurs et/ou qui cherchent à modifier leurs comportements alimentaires. Ces nouveaux dispositifs technologiques sont encore peu adoptés par les consommateurs, notamment à cause de leur caractère intrusif. Prenant comme terrain d’application le gaspillage alimentaire, cette recherche mobilise deux enquêtes qualitatives, menées à l’aide d’entretiens semi-directifs, pour fournir une compréhension approfondie de l’intrusivité d’une application mobile « servicielle ». Cinq dimensions sont ainsi mises en lumière : l’intrusivité-aspiration, l’intrusivité-envahissement, l’intrusivité-effraction ainsi que l’intrusivité-usurpation et l’intrusivité-ingérence sur lesquelles peu de recherches ont été menées. Les implications théoriques et managériales sont finalement discutées.
Antibacterial Properties of the Predominant Microorganisms Isolated from Fermenting Cassava Tubers during fufu Production against Selected Enteropathogenic Bacteria
Authors: Adegbehingbe Kehinde Tope, , Fakoya Soji, , Marcus Bello, Oluyemi, , Adeleke Bartholomew Saanu, , Fagbohun Olatomide Samuel, , Adejoro Damola Olabanji, 
Published: July 2019

Aim: This research investigated the antibacterial activities of the predominant microorganisms isolated from fermenting cassava mash during fufu production against selected enteropathogenic bacteria.
Methodology: Microbiological analysis was carried out on the mash on daily basis during the three-day fermentation period. The pH, TTA and temperature of the fufu were also evaluated. The antibacterial activities of dominant microorganisms from the mash were assayed against the isolated microorganisms and test isolates using disc and agar diffusion methods.
Results: The bacteria isolated from the fermenting mash include Bacillus subtilis, Lactobacillus fermentum, L. plantarum, Pediococcus acidilactici, Micrococcus luteus and Staphylococcus aureus while the fungi were Aspergillus flavus, A. niger, A. fumigatus, Geotrichum candidum, Penicillium expansum and Rhizospus stolonifer. The predominant microorganisms were L. plantarum, L. mesenteroides, A. niger, A. fumigatus and G. candidum. The total bacterial, lactic acid bacterial and fungal counts increased from 2.5X105 cfu/ml, 2.0X105 cfu/ml and 1.5X103 cfu/ml to 7.6X106 cfu/ml, 6.7X106 cfu/ml and 1.0X106 cfu/ml respectively. The temperature of cassava mash increased from 26°C to 30°C. The pH decreased from 6.80 to 4.22 while the total titratable acidity increased from 0.70% to 0.94%. Escherichia coli, P. mirabilis, S. typhimurium and S. aureus were inhibited by L. plantarum and L. mesenteroides while E. agglomerans and K. pneumoniae were resistant to L. plantarum and L. mesenteroides respectively. Aspergillus niger and G. candidum inhibited S. aureus but E. agglomerans, K. pneumoniae, P. mirabilis and S. typhimurium were not affected. Enterobacter agglomerans, E. coli, P. mirabilis and S. aureus were inhibited by A. fumigatus while K. pneumoniae and S. typhimurium were resistant.
Conclusion: These results suggested that consumption of fufu and other fermented cassava tubers could enhance less susceptibility to diseases caused by the test bacteria and fufu may be recommended for people suffering from infections caused by these microorganisms.
Antibacterial Activity of Locally Prepared Herbal Cough Extracts against Klebsiella pneumoniae and Streptococcus pneumoniae
Authors: Maxine Atuheirwe , Iramiot Jacob Stanley 
Published: July 2019

Aim: Cough due to Klebsiella pneumoniae and Streptococcus pneumoniae is currently managed by conventional antibiotics and herbal extracts in Uganda. However, much as these herbal extracts are extensively used, their antibacterial activity is not known. This study aimed at determining the antibacterial activity of the selected locally prepared herbal cough extracts against two bacterial strains i.e. Klebsiella pneumoniae (ATCC 700603), and Streptococcus pneumoniae (ATCC 49619).
Methods: The herbal cough extracts were screened for antibacterial activity using Agar-well diffusion method for determining zone of inhibition, macro broth dilution method for Minimum Inhibitory Concentration (MIC) determination and Streak plate method for Minimum Bactericidal Concentration (MBC).
Results: In vitro evaluation of antibacterial activity of the 5 brands of herbal cough extracts against K. pneumoniae and S. pneumoniae revealed that all extracts possessed significant antimicrobial effects against all microorganisms tested (p < 0.05). However, MM04 (35.6±0.0) mm and MM03 (33.6±1.5) mm had maximum zones of inhibition as compared to other herbal extracts against K. pneumoniae and S. pneumoniae respectively. Average MIC results for extracts against K. pneumoniae indicated that MM01 had the highest MIC (2.5000 mg/ml) while MM03 had the least MIC (0.0625 mg/ml). Average MIC results for extracts against S. pneumoniae showed MM01 had the highest MIC (2.0000 mg/ml) while MM03 3 had the least MIC (0.0438 mg/ml). Average MBC results for extracts against K. pneumoniae indicated that MM01 had the highest MBC (4.000 mg/ml) while MM03 had the least MBC (0.030 mg/ml). Average MBC results for extracts against S. pneumoniae showed MM01 had the highest MBC (4.000 mg/ml) while MM03 had the least MBC (0.033 mg/ml).
Conclusion: The results obtained in present study were revealed that locally prepared herbal extracts had significant antibacterial activity. Hence they can be used as promising alternatives of antibiotics used against Respiratory Tract Infections due to K. pneumoniae and S. pneumoniae.
Interfacial Octahedral Manipulation Imparts Hysteresis‐Free Metal to Insulator Transition in Ultrathin Nickelate Heterostructure
Authors: Dong Yongqi , Ma Zhiyuan , Luo Zhenlin , Zhou Hua , Fong Dillon D. , Wu Wenbin , Gao Chen 
Published: July 2019

AbstractMuch like epitaxial strain, engineering oxygen octahedral rotations (OORs) in perovskite oxide thin films can be a powerful means of manipulating their physical and chemical properties. Here, it is demonstrated that the fundamental character of the metal‐insulator transition (MIT) can be sensitively controlled by the structure of the oxygen sublattice for NdNiO3 thin films grown epitaxially on NdGaO3 (110) substrates. The MIT is sharp and hysteretic for a Ni‐O‐Ni bond angle of 154.0° (6 nm thick film) like the bulk behavior, while it is diffuse and largely nonhysteretic for a bond angle of 149.5° (3 nm thick film), stemming from the smaller bond angle of the NdGaO3 substrate. Using synchrotron X‐ray diffraction to quantify the geometric framework of the oxygen sublattice, it is found that the influence of the substrate OORs propagates and decays after a few nanometers into the ultrathin film. The sublattice structure in the 6 nm thick film is similar to that for bulk NdNiO3, leading to the sharp and hysteretic MIT.
Balancing Light Absorption and Charge Transport in Vertical SnS2 Nanoflake Photoanodes with Stepped Layers and Large Intrinsic Mobility
Authors: Giri Binod , Masroor Maryam , Yan Tao , Kushnir Kateryna , Carl Alexander D. , Doiron Curtis , Zhang Haochuan , Zhao Yanyan , McClelland Arthur , Tompsett Geoffrey A. , Wang Dunwei , Grimm Ronald L. , Titova Lyubov V. , Rao Pratap M. 
Published: July 2019

AbstractSignificant optical absorption in the blue–green spectral range, high intralayer carrier mobility, and band alignment suitable for water splitting suggest tin disulfide (SnS2) as a candidate material for photo‐electrochemical applications. In this work, vertically aligned SnS2 nanoflakes are synthesized directly on transparent conductive substrates using a scalable close space sublimation (CSS) method. Detailed characterization by time‐resolved terahertz and time‐resolved photoluminescence spectroscopies reveals a high intrinsic carrier mobility of 330 cm2 V−1 s−1 and photoexcited carrier lifetimes of 1.3 ns in these nanoflakes, resulting in a long vertical diffusion length of ≈1 µm. The highest photo‐electrochemical performance is achieved by growing SnS2 nanoflakes with heights that are between this diffusion length and the optical absorption depth of ≈2 µm, which balances the competing requirements of charge transport and light absorption. Moreover, the unique stepped morphology of these CSS‐grown nanoflakes improves photocurrent by exposing multiple edge sites in every nanoflake. The optimized vertical SnS2 nanoflake photoanodes produce record photocurrents of 4.5 mA cm−2 for oxidation of a sulfite hole scavenger and 2.6 mA cm−2 for water oxidation without any hole scavenger, both at 1.23 VRHE in neutral electrolyte under simulated AM1.5G sunlight, and stable photocurrents for iodide oxidation in acidic electrolyte.
Alkyl Chain Length Effects of Polymer Donors on the Morphology and Device Performance of Polymer Solar Cells with Different Acceptors
Authors: Pang Shuting , Zhang Ruiwen , Duan Chunhui , Zhang Song , Gu Xiaodan , Liu Xi , Huang Fei , Cao Yong 
Published: July 2019

AbstractThe development of nonfullerene acceptors has brought polymer solar cells into a new era. Maximizing the performance of nonfullerene solar cells needs appropriate polymer donors that match with the acceptors in both electrical and morphological properties. So far, the design rationales for polymer donors are mainly borrowed from fullerene‐based solar cells, which are not necessarily applicable to nonfullerene solar cells. In this work, the influence of side chain length of polymer donors based on a set of random terpolymers PTAZ‐TPD10‐Cn on the device performance of polymer solar cells is investigated with three different acceptor materials, i.e., a fullerene acceptor [70]PCBM, a polymer acceptor N2200, and a fused‐ring molecular acceptor ITIC. Shortening the side chains of polymer donors improves the device performance of [70]PCBM‐based devices, but deteriorates the N2200‐ and ITIC‐based devices. Morphology studies unveil that the miscibility between donor and acceptor in blend films depends on the side chain length of polymer donors. Upon shortening the side chains of the polymer donors, the miscibility between the donor and acceptor increases for the [70]PCBM‐based blends, but decreases for the N2200‐ and ITIC‐based blends. These findings provide new guidelines for the development of polymer donors to match with emerging nonfullerene acceptors.
Transition Metal‐Free Reduction of Activated Alkenes Using a Living Microorganism
Authors: Brewster Richard C. , Suitor Jack T. , Bennett Adam W. , Wallace Stephen 
Published: July 2019

AbstractMicroorganisms can be programmed to perform chemical synthesis via metabolic engineering. However, despite an increasing interest in the use of de novo metabolic pathways and designer whole‐cells for small molecule synthesis, the inherent synthetic capabilities of native microorganisms remain underexplored. Herein, we report the use of unmodified E. coli BL21(DE3) cells for the reduction of keto‐acrylic compounds and apply this whole‐cell biotransformation to the synthesis of aminolevulinic acid from a lignin‐derived feedstock. The reduction reaction is rapid, chemo‐, and enantioselective, occurs under mild conditions (37 °C, aqueous media), and requires no toxic transition metals or external reductants. This study demonstrates the remarkable promiscuity of central metabolism in bacterial cells and how these processes can be leveraged for synthetic chemistry without the need for genetic manipulation.
Dithieno[3,2‐b:2′,3′‐d]pyrrole Cored p‐Type Semiconductors Enabling 20 % Efficiency Dopant‐Free Perovskite Solar Cells
Authors: Zhou Jie , Yin Xinxing , Dong Zihao , Ali Amjad , Song Zhaoning , Shrestha Niraj , Bista Sandip Singh , Bao Qinye , Ellingson Randy J. , Yan Yanfa , Tang Weihua 
Published: July 2019

AbstractOrganic p‐type semiconductors with tunable structures offer great opportunities for hybrid perovskite solar cells (PVSCs). We report herein two dithieno[3,2‐b:2′,3′‐d]pyrrole (DTP) cored molecular semiconductors prepared through π‐conjugation extension and an N‐alkylation strategy. The as‐prepared conjugated molecules exhibit a highest occupied molecular orbital (HOMO) level of −4.82 eV and a hole mobility up to 2.16×10−4 cm2 V−1 s−1. Together with excellent film‐forming and over 99 % photoluminescence quenching efficiency on perovskite, the DTP based semiconductors work efficiently as hole‐transporting materials (HTMs) for n‐i‐p structured PVSCs. Their dopant‐free MA0.7FA0.3PbI2.85Br0.15 devices exhibit a power conversion efficiency over 20 %, representing one of the highest values for un‐doped molecular HTMs based PVSCs. This work demonstrates the great potential of using a DTP core in designing efficient semiconductors for dopant‐free PVSCs.
Large‐Area Synthesis of Superclean Graphene via Selective Etching of Amorphous Carbon with Carbon Dioxide
Authors: Zhang Jincan , Jia Kaicheng , Lin Li , Zhao Wei , Quang Huy Ta , Sun Luzhao , Li Tianran , Li Zhenzhu , Liu Xiaoting , Zheng Liming , Xue Ruiwen , Gao Jing , Luo Zhengtang , Rummeli Mark H. , Yuan Qinghong , Peng Hailin , Liu Zhongfan 
Published: July 2019

AbstractContamination commonly observed on the graphene surface is detrimental to its excellent properties and strongly hinders its application. It is still a great challenge to produce large‐area clean graphene film in a low‐cost manner. Herein, we demonstrate a facile and scalable chemical vapor deposition approach to synthesize meter‐sized samples of superclean graphene with an average cleanness of 99 %, relying on the weak oxidizing ability of CO2 to etch away the intrinsic contamination, i.e., amorphous carbon. Remarkably, the elimination of amorphous carbon enables a significant reduction of polymer residues in the transfer of graphene films and the fabrication of graphene‐based devices and promises strongly enhanced electrical and optical properties of graphene. The facile synthesis of large‐area superclean graphene would open the pathway for both fundamental research and industrial applications of graphene, where a clean surface is highly needed.
Development and characterization of EST‐SSR markers for Saxifraga fortunei var. incisolobata (Saxifragaceae)
Authors: Magota Kana , Takahashi Daiki , Setoguchi Hiroaki 
Published: July 2019

PremiseSaxifraga fortunei (Saxifragaceae) includes several infraspecific taxa that are ecologically and morphologically distinct. To investigate the evolutionary history of phenotypic polymorphisms in this species, we developed expressed sequence tag–simple sequence repeat (EST‐SSR) markers for S. fortunei.Methods and ResultsWe developed 26 polymorphic markers based on transcriptome data obtained from Illumina HiSeq 2000. Within three populations of S. fortunei var. incisolobata, the number of alleles ranged from four to 25, and the levels of observed and expected heterozygosity ranged from 0.200 to 0.847 and from 0.209 to 0.930, respectively. Furthermore, all 26 loci showed transferability for S. fortunei var. obtusocuneata and S. fortunei var. suwoensis, and 18 loci were also successfully amplified in S. acerifolia.ConclusionsThese newly developed EST‐SSR markers will prove useful to infer the evolutionary history of S. fortunei var. incisolobata and its relatives in population genetic studies.
Dynamic investigation and modeling of the nitrogen cometabolism in Methylococcus capsulatus (Bath)
Authors: Petersen Leander A. H. , Lieven Christian , Nandy Subir K. , Villadsen John , Jørgensen Sten B. , Christensen Ib , Gernaey Krist V. 
Published: July 2019

AbstractThe methanotrophic bacterium Methylococcus capsulatus is capable of assimilating methane and oxygen into protein‐rich biomass, however, the diverse metabolism of the microorganism also allows for several undesired cometabolic side‐reactions to occur. In this study, the ammonia cometabolism in
Methylococcus capsulatus is investigated using pulse experiments. Surprisingly
Methylococcus capsulatus oxidizes ammonia to nitrate through a yet unknown mechanism and fixes molecular nitrogen even at a high dissolved oxygen tension. The observed phenomena can be modeled using 14 ordinary differential equations and 18 kinetic parameters, of which 6 were revealed by Morris screening to be identifiable from the experimental data. Monte Carlo simulations showed that the model was robust and accurate even with uncertainty in the parameter values as confirmed by statistical error analysis.
Killer immunoglobulin‐like receptor genotypes and chronic myeloid leukemia outcomes after imatinib cessation for treatment‐free remission
Authors: Dumas Pierre‐Yves , Bérard Emilie , Bréal Claire , Dulucq Stéphanie , Réa Delphine , Nicolini Franck , Forcade Edouard , Dufossée Melody , Pasquet Jean‐Max , Turcq Béatrice , Bidet Audrey , Milpied Noel , Déchanet‐Merville Julie , Lafarge Xavier , Etienne Gabriel , Mahon François‐Xavier ,   French Intergroup in Chronic Myeloid Leukemia
Published: July 2019

AbstractBackgroundNatural Killer (NK) cells are innate lymphoid cells that can be cytotoxic toward a large panel of solid tumors and hematological malignancies including chronic myeloid leukemia (CML). Such a cytotoxicity depends on various receptors. Killer immunoglobulin‐like receptors (KIR) belong to these receptors and are involved in maturation process, then in the activation abilities of NK cells. Methods: We investigated the prognostic impact of the KIR2DL5B genotype in 240 CML patients included in two clinical trials investigating tyrosine kinase inhibitors (TKI) discontinuation: STIM and STIM2. Results: After adjustment for standard risk factors in CML, we found that the inhibitory receptor KIR2DL5B‐positive genotype was independently related to a delayed second deep molecular remission (HR 0.54, 95% CI [0.32‐0.91], P = 0.02) after TKI rechallenge but not to time to first deep molecular remission or treatment‐free remission rates. Conclusion: These results suggest that KIR2DL5B could carry a role in lymphocyte‐mediated control of leukemic residual disease control in patient with CML relapse.