bluuebunny/crossref_metadata_2025 huggingface dataset:
Effect of Different Levels of Phosphorus on Growth and Yield of Wheat cv. Shatabdi
Authors: Rahman Md. Shoebur , Shourov Faisal Ahmed , Rahman Md. Ashiqur , Kayess Md. Omar
Published: October 2024

A field experiment was carried out at the farmers field of Gazipur, Bangladesh to evaluate the effect of various level of phosphorous on the growth and yield of wheat (Shatabdi). The experiment consisted of four phosphorus levels, including a control: (i) T0 = 0 kg P ha-1 (Control), (ii) T1 = 25 kg P ha-1, (iii) T2 = 50 kg P ha-1, and (iv) T3 = 75 kg P ha-1. The experiment was conducted during from December 2021 to March 2022 in a randomized complete block design with three replications. Data on different growth and yield parameters like plant height, number of tillers per plant, days to flowering, days to maturity, spike length, grains per spike, grain yield, thousand grain weight, biological yield, and harvest index were collected according to plan. The different level of phosphorous showed significant effect on growth and yield of wheat. The T2 (50 kg P ha-1) treatment gave the tallest plant (85.25 cm), maximum number of tiller plant (8.05), spike length (18.20 cm), grains per spike (42.08), thousand grain weight (36.16), grain yield per plant (37.15 g), straw yield (07.46) and harvest index (50.72%). On the other hand, all the growth, yield and yield attributing characters were found lowest in control treatments. The result of the study indicated that the 50 Kg P/ha would be effective and economic for the cultivation of wheat variety cv Shatabdi.
Effect of Sowing Dates and Wheat Cultivars on Agro Meteorological Indices of Wheat under Conditions of North-western Himalayas, India
Authors: Salaria Sahil , Rana R S , Chauhan Garima , Sharma Tarun , Pathania Ranu , Priyanka
Published: October 2024

Climate change in recent times have presented a scenario of elevated susceptibility of wheat to rising temperatures. Agro-meteorological indices can present a scenario of variable response of wheat to diverse conditions. A field investigation was conducted in rabi season of 2016-17 at Research farm, Department of Agronomy, CSK Himachal Pradesh Krishi Vishvavidyalaya, Palampur to evaluate the influence of sowing dates and wheat cultivars on agro-meteorological indices such as growing degree days, photothermal units, Helio thermal units and phenothermal index of wheat crop. The field investigation involved five sowing dates (15th October, 30th October, 15th November, 30th November and 15th December) and wheat cultivars (HPW-349 and HPW-155) which were studied in a factorial randomized block design with three replications. The results of the investigation revealed that timely sown crop i.e., on 15th October recorded the highest values for agro-meteorological indices for both the wheat cultivars such as growing degree days, Helio thermal units, photothermal units and phenothermal index across various wheat development stages such as complete emergence, crown root initiation, tillering, ear emergence and physiological maturity. Therefore, timely sowing of wheat by 15th October was concluded to be the best for optimized agro-meteorological indices such as growing degree days, photothermal units, Helio thermal units and phenothermal index under conditions of North-Western Himalayas.
Rock avalanche deposits store quantitative evidence on internal shear during runout
Authors: Zhang M. , McSaveney M. J.
Published: August 2017

We investigated the quantitative effect of internal shear on grain breakage during rock avalanche runout, by means of 38 ring‐shear experiments on identical sand samples at different normal stresses, shear strains and shear strain rates. We compared sample grain‐size characteristics before and after shearing. We found that grain size decreased with increase in normal stress and shear strain. Reduction in grain size was inferred to occur through grain breakage associated with grain interactions in strong force chains during strain. The results were consistent with observations of both inverse‐grading structure in deep rock avalanche exposures, and fining and grading of particles with increasing rock avalanche travel distance. Our study suggested that with appropriate calibration, variations in grain‐size distributions within a rock avalanche deposit would provide quantitative information on the distribution of internal shear during its runout.
Mesoscale organization, entrainment, and the properties of a closed‐cell stratocumulus cloud
Authors: Kazil J. , Yamaguchi T. , Feingold G.
Published: August 2017

Closed‐cell mesoscale organization and its relationship to entrainment and the properties of a low, nonprecipitating stratocumulus cloud is investigated. Large eddy simulations were run over 10 periodic diurnal cycles during which mesoscale organization could fully develop and approach a quasi‐steady state on five domains sized from 2.4 km × 2.4 km to 38.4 km × 38.4 km. The four smaller domains hosted a single cell with an aspect ratio that increased with domain size. On the largest domain, mesoscale organization consisted of a cell population that evolved over the course of the diurnal cycle. It is found that with increasing cell aspect ratio, entrainment weakens and the boundary layer becomes shallower, cooler, moister, and more decoupled. This causes an increase in cloud water path and cloud radiative effect up to a cell aspect ratio of 16. With further increase in cell aspect ratio, circulation on the cell scale becomes less effective in supplying moisture to the cloud and in producing turbulent kinetic energy (TKE). This mechanism can explain scale saturation in closed‐cell mesoscale organization. The simulations support a maximum stable aspect ratio of closed‐cell mesoscale organization between 32 and 64, consistent with the observational limit of
40. The simulations show furthermore that entrainment does not, in general, scale with buoyant production of TKE. Instead, entrainment correlates with the vertical component of TKE. This implies vertical motion as a driver of entrainment, and a convective velocity scale based on the vertical component of TKE rather than on buoyant production of TKE.
Role of Grain Boundary Sliding in Texture Evolution for Nanoplasticity
Authors: Zhao Yajun , Toth Laszlo S. , Massion Roxane , Skrotzki Werner
Published: August 2017

A new crystal plasticity model is presented to account for the effect of grain boundary sliding (GBS) on texture evolution during large plastic deformation of nanocrystalline materials. In the model, 12 grain boundaries are assigned for each grain and their sliding rates are calculated using Newtonian viscoplasticity. The lattice rotation of the grain interior is computed by taking into account the deformation field modification produced by GBS. The model is employed for predicting the texture evolution in a nanocrystalline Pd–10 at%Au alloy subjected to large strain simple shear, up to a shear strain of 16.8. Two main texture effects due to increasing GBS are identified: high reduction in texture intensity, and tilts of the texture components from their ideal orientations. In the alloy considered, the contribution of GBS to the total strain is identified to be about 30%.
Universal Control on Pyroresistive Behavior of Flexible Self‐Regulating Heating Devices
Authors: Liu Yi , Zhang Han , Porwal Harshit , Tu Wei , Evans Jamie , Newton Mark , Busfield James J. C. , Peijs Ton , Bilotti Emiliano
Published: August 2017

Smart heating devices with reliable self‐regulating performances and high efficiency, combined with additional properties like mechanical flexibility, are of particular interest in healthcare, soft robotics, and smart buildings. Unfortunately, the development of smart heaters necessitates managing normally conflicting requirements such as good self‐regulating capabilities and efficient Joule heating performances. Here, a simple and universal materials design strategy based on a series connection of different conductive polymer composites (CPC) is shown to provide unique control over the pyroresistive properties. Hooke's and Kirchhoff's laws of electrical circuits can simply predict the overall pyroresistive behavior of devices connected in series and/or parallel configurations, hence providing design guidelines. An efficient and mechanically flexible Joule heating device is hence designed and created. The heater is characterized by a zero temperature coefficient of resistance below the self‐regulating temperature, immediately followed by a large and sharp positive temperature coefficient (PTC) behavior with a PTC intensity of around 106. Flexibility and toughness is provided by the selected elastomeric thermoplastic polyurethane (TPU) matrix as well as the device design. The universality of the approach is demonstrated by using different polymer matrices and conductive fillers for which repeatable results are consistently obtained.
Top‐Down Synthesis of Hollow Graphene Nanostructures for Use in Resistive Switching Memory Devices
Authors: Anoop Gopinathan , Kim Tae Yeon , Lee Hye Jeong , Panwar Varij , Kwak Jeong Hun , Heo Yeong‐Jae , Yang Jin‐Hoon , Lee Joo Hyoung , Jo Ji Young
Published: August 2017

Hollow nanostructures exhibit a wide range of potential applications because of the quantum confinement effect that arises from the narrow width of such nanostructures. It is challenging to synthesize hollow nanostructures of 2D materials. A facile top‐down approach is presented for synthesizing high‐quality hollow graphene nanostructures from highly oriented pyrolytic graphite target. Hollow graphene nanostructures composed of few‐layered graphene nanorings (GNRs) are synthesized in acetone and poly(4‐vinylpyridine) (P4VP) using the laser ablation in liquid technique. Density functional theory calculations of the layered GNRs indicate that their bandgap converges with an increase in the number of layers. To demonstrate the feasibility of the synthesized NRs for use in device applications, flexible two‐terminal devices with a Pt/GNRs‐P4VP/indium tin oxide structure are fabricated; the devices exhibit excellent memory characteristics, with the ON/OFF ratio being 2 × 104 and the retention time being 105 s. These results suggest that synthesizing uniform bandgap‐engineered GNRs in organic media through laser ablation is an excellent method for realizing high‐density, low‐cost nonvolatile memories in a scalable manner.
An Aboriginal community's perceptions and experiences of child neglect in a rural town
Authors: Newton B.J.
Published: August 2017

Very little is known about how Aboriginal parents experiencing vulnerabilities and communities perceive child neglect, despite Aboriginal families being highly overrepresented in the child protection system. This research investigates the perceptions and experiences of child neglect from Aboriginal parents and human services workers in a rural community. Research methods consisted of community forums and interviews with parents and workers. One community forum developed interview guides and vignettes, and the second discussed and interpreted findings. Between the two forums, in‐depth interviews were conducted with 18 Aboriginal parents and nine Aboriginal and non‐Aboriginal workers. Overall Aboriginal parents perceived child neglect in a similar way to Aboriginal and non‐Aboriginal workers. Violence and substance abuse were main risk factors for child neglect, and intergenerational trauma, racism and discrimination, and feeling powerless were prevalent in the community. The paper concludes that there are little differences in the way Aboriginal and non‐Aboriginal people understand child neglect. Instead it is the difficult circumstances experienced by Aboriginal families that keep parents from actualising their parenting expectations. The implications of these findings when working with Aboriginal families and communities are also discussed.
Towards Optimal Disorder in Gold Nanosponges for Long‐Lived Localized Plasmonic Modes
Authors: Schwarz Felix , Runge Erich
Published: August 2017

The potential of disorder to confine and enhance electromagnetic fields is well known and localized fields in turn can be used for non‐linear optical sensing and for studying quantum optics. Recently, nanoporous gold nanoparticles (nanosponges) were shown to support highly localized long‐lived plasmonic modes in the infrared spectral range. In this paper, we take first steps towards tailoring the disorder for optimal field localization and enhancement by calculating extinction and near‐field properties for different filling fractions and correlation lengths. We find that the filling fraction has not only a large effect on the fundamental dipolar surface‐plasmon resonance of the nanoparticle, but also on the frequency range in which localized modes of plasmonic nature occur. The influence of the correlation length is more subtle but is seen to influence the coupling between localized and far‐field modes as well. We briefly discuss first results on details of the localization process, which takes place on the same length scale as the typical structure size, so a simple cavity‐resonance picture cannot account for the relatively low frequency of the modes.
Ultrafast Processes in Graphene: From Fundamental Manybody Interactions to Device Applications
Authors: Winnerl Stephan , Mittendorff Martin , König‐Otto Jacob C. , Schneider Harald , Helm Manfred , Winzer Torben , Knorr Andreas , Malic Ermin
Published: August 2017

A joint experiment‐theory investigation of the carrier dynamics in graphene, in particular in the energetic vicinity of the Dirac point, is reviewed. Radiation of low photon energy is employed in order to match the intrinsic energy scales of the material, i.e. the optical phonon energy (∼200 meV) and the Fermi energy (10‐20 meV), respectively. Significant slower carrier cooling is predicted and observed for photon energies below the optical phonon energy. Furthermore, a strongly anisotropic distribution of electrons in k‐space upon excitation with linearly polarized radiation is discussed. Depending on photon energy, the anisotropic distribution decays either rapidly via optical phonon emission, or slowly via non‐collinear Coulomb scattering. Finally, a room temperature operated ultra‐broadband hot‐electron bolometer is demonstrated. It covers the spectral range from the THz to visible region with a single detector element featuring a response time of 40 ps.
Kovalente Liganden zur Adressierung einer lipophilen Bindetasche in der MAPK p38α
Authors: Bührmann Mike , Hardick Julia , Weisner Jörn , Quambusch Lena , Rauh Daniel
Published: August 2017

Ein chemisch‐genetischer Ansatz zur kovalenten Adressierung einer einzigartigen lipophilen Bindetasche (LP) in der Mitogen‐aktivierten Proteinkinase p38α, deren physiologische Funktion bis heute nicht völlig verstanden ist, wird vorgestellt. Basierend auf einer Reihe von Kokristallstrukturen wurde eine fokussierte Substanzbibliothek von 2‐Arylchinazolinen entwickelt, die mit Elektrophilen versehen wurden, um p38α‐Mutanten mit artifiziell eingeführten Cysteinen zu generieren. Aufeinander abgestimmte Protein‐Liganden‐Paare wurden über MS‐Analysen identifiziert und mittels MS/MS‐basierten sowie kristallographischen Studien validiert. Einige der kovalenten Liganden, die aus diesem Ansatz hervorgingen, zeigten eine hervorragende Selektivität für jeweils eine einzelne p38α‐Mutante und können zukünftig als Sondenmoleküle zur Aufklärung der LP‐Funktion im Rahmen pharmakologischer Perturbationsexperimente in zellulären Systemen Anwendung finden.
Discovery of a Novel Inhibitor of the Hedgehog Signaling Pathway through Cell‐based Compound Discovery and Target Prediction
Authors: Kremer Lea , Schultz‐Fademrecht Carsten , Baumann Matthias , Habenberger Peter , Choidas Axel , Klebl Bert , Kordes Susanne , Schöler Hans R. , Sterneckert Jared , Ziegler Slava , Schneider Gisbert , Waldmann Herbert
Published: August 2017

Cell‐based assays enable monitoring of small‐molecule bioactivity in a target‐agnostic manner and help uncover new biological mechanisms. Subsequent identification and validation of the small‐molecule targets, typically employing proteomics techniques, is very challenging and limited, in particular if the targets are membrane proteins. Herein, we demonstrate that the combination of cell‐based bioactive‐compound discovery with cheminformatic target prediction may provide an efficient approach to accelerate the process and render target identification and validation more efficient. Using a cell‐based assay, we identified the pyrazolo‐imidazole smoothib as a new inhibitor of hedgehog (Hh) signaling and an antagonist of the protein smoothened (SMO) with a novel chemotype. Smoothib targets the heptahelical bundle of SMO, prevents its ciliary localization, reduces the expression of Hh target genes, and suppresses the growth of Ptch+/− medulloblastoma cells.
Rational Optimization of Supramolecular Catalysts for the Rhodium‐Catalyzed Asymmetric Hydrogenation Reaction
Authors: Daubignard Julien , Detz Remko J. , Jans Anne C. H. , de Bruin Bas , Reek Joost N. H.
Published: August 2017

Rational design of catalysts for asymmetric transformations is a longstanding challenge in the field of catalysis. In the current contribution we report a catalyst in which a hydrogen bond between the substrate and the catalyst plays a crucial role in determining the selectivity and the rate of the catalytic hydrogenation reaction, as is evident from a combination of experiments and DFT calculations. Detailed insight allowed in silico mutation of the catalyst such that only this hydrogen bond interaction is stronger, predicting that the new catalyst is faster. Indeed, we experimentally confirmed that optimization of the catalyst can be realized by increasing the hydrogen bond strength of this interaction by going from a urea to phosphine oxide H‐bond acceptor on the ligand.
Fluorescence Electrochemical Microscopy: Capping Agent Effects with Ethidium Bromide/DNA Capped Silver Nanoparticles
Authors: Tanner Eden E. L. , Sokolov Stanislav V. , Young Neil P. , Batchelor‐McAuley Christopher , Compton Richard G.
Published: August 2017

Fluorescence microscopy and electrochemistry were employed to examine capping agent dynamics in silver nanoparticles capped with DNA intercalated with ethidium bromide, a fluorescent molecule. The capped NPs were studied first electrochemically, demonstrating that the intercalation of the capping agent promotes oxidation of the silver core, occurring at 0.50 V (vs. Ag, compared with 1.15 V for Ag NPs capped in DNA alone). Second, fluorescence electrochemical microscopy revealed that the electron transfer from the nanoparticles is gated by the capping agent, allowing dynamic insights unobservable using electrochemistry alone.
Covalent Lipid Pocket Ligands Targeting p38α MAPK Mutants
Authors: Bührmann Mike , Hardick Julia , Weisner Jörn , Quambusch Lena , Rauh Daniel
Published: August 2017

A chemical genetic approach is presented to covalently target a unique lipid binding pocket in the protein kinase p38α, whose function is not yet known. Based on a series of cocrystal structures, a library of 2‐arylquinazolines that were decorated with electrophiles were designed and synthesized to covalently target tailored p38α mutants containing artificially introduced cysteine residues. Matching protein–ligand pairs were identified by MS analysis and further validated by MS/MS studies and protein crystallography. The covalent ligands that emerged from this approach showed excellent selectivity towards a single p38α mutant and will be applicable as suitable probes in future studies of biological systems to dissect the function of the lipid pocket by means of pharmacological perturbations.
Role of the Adsorbed Oxygen Species in the Selective Electrochemical Reduction of CO2 to Alcohols and Carbonyls on Copper Electrodes
Authors: Le Duff Cécile S. , Lawrence Matthew J. , Rodriguez Paramaconi
Published: August 2017

The electrochemical reduction of CO2 into fuels has gained significant attention recently as source of renewable carbon‐based fuels. The unique high selectivity of copper in the electrochemical reduction of CO2 to hydrocarbons has called much interest in discovering its mechanism. In order to provide significant information about the role of oxygen in the electrochemical reduction of CO2 on Cu electrodes, the conditions of the surface structure and the composition of the Cu single crystal electrodes were controlled over time. This was achieved using pulsed voltammetry, since the pulse sequence can be programmed to guarantee reproducible initial conditions for the reaction at every fraction of time and at a given frequency. In contrast to the selectivity of CO2 reduction using cyclic voltammetry and chronoamperometric methods, a large selection of oxygenated hydrocarbons was found under alternating voltage conditions. Product selectivity towards the formation of oxygenated hydrocarbon was associated to the coverage of oxygen species, which is surface‐structure‐ and potential‐dependent.
High‐Fidelity Multistate Switching with Anion–Anion and Acid–Anion Dimers of Organophosphates in Cyanostar Complexes
Authors: Zhao Wei , Qiao Bo , Chen Chun‐Hsing , Flood Amar H.
Published: August 2017

The acid–base switching of complexes formed from anti‐electrostatic anion–anion homodimers of organophosphates and cyanostar macrocycles was investigated for the first time. High‐fidelity 2:2 complexes were selected by using suitably sized organo substituents. Reversible and direct switching occurs with triflic acid and hydroxide base. An unexpected acid⋅⋅⋅anion heterodimer was discovered with weaker picric acid, which helped reveal some of the elementary steps. Switching can also proceed in a cooperative (strong anion then weak acid) or stepwise manner (weak acid then strong anion).
Preparation of metal‐phosphorus hybridized nanomaterials and the action of metal centers on the flame retardancy of epoxy resin
Authors: Liu Lili , Huang Yawen , Yang Yu , Ma Jiajun , Yang Junxiao , Yin Qiang
Published: August 2017

The action of metals on the flame retardancy of thermoplastic has aroused much interest in recent years. However, their action on thermosets is still not clear. In this work, metal‐phosphorus hybridized nanomaterials with different metal centers were prepared via hydrothermal reaction between metal hydroxide/salts with phosphinic/phosphonic acids. The loading of these hybrids in epoxy (EP) resins resulted in great change on fire resistance. Thermogravimetric analysis, solid and gas phase analysis results indicated that the flame retardant action of the hybrids perhaps didn't take place following the conventional models in condensed and gas phase. It was found that the flame retardancy was greatly correlated with the action of metal centers with EP resin, which resulted in the formation of metal‐oxygen bonds and the delayed release of flammable compounds from EP resin. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45445.
Correlation between gas transport properties and the morphology/dynamics of crystalline fluorinated copolymer membranes
Authors: Nyuui Tatsuki , Matsuba Go , Sato Shuichi , Nagai Kazukiyo , Fujimori Atsuhiro
Published: August 2017

The crystalline structure, dynamics, and gas transport properties (i.e., the gas permeability, gas diffusion coefficient, and gas solubility coefficient) of poly(tetrafluoroethylene‐co‐perfluoroethylvinylether) (PFA) membranes were systematically investigated via differential scanning calorimetry, wide/small/ultra‐small‐angle X‐ray scattering, and quasielastic neutron scattering measurements. We evaluated the gas transport properties using a constant‐volume/variable‐pressure method. The gas permeability and the gas diffusion coefficient decreased with increasing crystallinity of the PFA membranes at crystallinities below 32%. However, in membranes with a crystallinity of 32% or greater, these parameters depended on the characteristics of the gas molecules, such as their kinetic diameter. The so‐called long spacing period and the thickness of the crystalline/amorphous regions increased with crystallinity according to the small/ultra‐small‐angle X‐ray scattering results. Furthermore, the quasielastic neutron scattering measurements indicated that the scattering law was well fitted to a sum of narrow and broad Lorentzian components. In particular, the narrow components, that is, the local motion of amorphous components and side chains, increased with crystallinity. These results suggest that large gas molecules could pass through the PFA membranes, assisted by the motion in the amorphous region. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45665.
Enhancing crystallization rate and melt strength of PLLA with four‐arm PLLA grafted silica: The effect of molecular weight of the grafting PLLA chains
Authors: Lai Xiang‐Ling , Yang Wei , Wang Zhao , Shi Da‐Wei , Liu Zheng‐Ying , Yang Ming‐Bo
Published: August 2017

To improve the crystallization rate and melt strength of polylactide (PLLA), nano‐size amino silica grafted by four‐arm PLLA (4A‐PLLA) with different molecular weight was synthesized. 1H nuclear magnetic resonance proved that 4A‐PLLA had been grafted onto the surface of SiO2 successfully, and the grafting ratios and the degradation behaviors of the grafted SiO2 nanoparticles (g‐SiO2) were studied. When the grafted silica was introduced into PLLA matrix, the crystallization rate and melt strength of composites were found to be improved and the length of grafted chain played an important role. The extension rheology indicated that long grafted 4A‐PLLA on the surface of SiO2 was more efficient in enhancing the elongational viscosity of PLLA, owing to the stronger interactions between the grafted chains and the matrix. The crystallization behavior of ungrafted silica filled composite was similar to that of neat PLA, while g‐SiO2 played a role of nucleating agent. The crystallinities and the crystallization rates of the composites depended on the content of g‐SiO2 and the grafted chain length of 4A‐PLLA, especially the latter. Longer grafted chain acted as nucleation site in the matrix and significantly improved the crystallization behaviors of PLLA. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45675.
Particle morphology and morphogenesis of nascent polyethylene produced with a spherical MgCl2‐supported Ziegler–Natta catalyst in slurry process
Authors: Zhang Zhen , Qi Meizhou , Yang Pengjia , Fu Zhisheng , Xu Junting , Fan Zhiqiang
Published: August 2017

Ethylene polymerizations were conducted in slurry process with a spherical MgCl2‐supported Ziegler–Natta catalyst activated by triethylaluminum, and the morphology of nascent polymer particles was observed by scanning electron microscope. Three kinds of typical microscale morphologies: nodular and rope‐like structures on the external particle surface, and nodular structures in the bulk of the particle were observed. These structures are composed of polyethylene lamellae and amorphous phase filling the space between the lamellae. There is close relation between the polymerization activity and microporosity of the particles. When the activity was higher than 1500 g PE/g Cat, large number of tiny pores appeared in the particles, and rope‐like structures appeared on their surface. Formation of the morphologies can be reasonably explained by models based on multiscale solid structure of the catalyst particle and dynamic interactions among the growing polymer phases. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45679.
Molecular Engineering of Tetracyclic 2,3‐Dihydro‐1H‐benzo[2,3]‐benzofuro[4,5‐e][1,3]oxazine Derivatives: Evaluation for Potential Anticancer Agents
Authors: Botla Vinayak , Pilli NavyaSree , Koude Dhevendar , Misra Sunil , Malapaka Chandrasekharam
Published: August 2017

Water‐mediated one‐pot Mannich type condensation of dibenzo[b,d]furan‐2‐ol with different amines resulted in a large library of novel 2,3‐dihydro‐1H‐benzo[2,3]benzofuro[4,5‐e][1,3]oxazine derivatives in moderate to excellent yields. The ortho‐aminomethylation of the dibenzofuranols proceeded smoothly in the presence of various aromatic/aliphatic amines and paraformaldehyde, followed by cyclization. All the newly synthesized tetracyclic 2,3‐dihydro‐1H‐benzo[2,3]benzofuro[4,5‐e][1,3]oxazine derivatives were chemically characterized and screened for their cytotoxicity activity by cell viability assay (MTT test) against three human cancer cell lines and antibacterial activity by determining the minimum inhibitory concentration (MIC) against four bacterial strains. Among all the derivatives, MCV‐24 showed promising anticancer activity by inhibiting the cell proliferation of an ovarian cancer cell line (SKOV3) with an IC50 value at 7.5 µM, whereas MCV‐24 to MCV‐30 derivatives showed moderate activity against a lung cancer cell line (A549) with an IC50 value ranging from 11 to 15.9 µM. Besides MCV‐29, ‐30, and ‐31 also exhibited broad‐spectrum antibacterial activity. Among all new compounds, MCV‐24–30 showed promising anticancer and MCV‐29–31 antibacterial activity.
Present Bias and Everyday Self‐Control Failures: A Day Reconstruction Study
Authors: Delaney Liam , Lades Leonhard K.
Published: August 2017

Everyday life is full of self‐control problems. The economist's favorite explanation for self‐control problems is present bias. This paper tests whether experimentally elicited present bias predicts self‐control problems in everyday life. We measure present bias by using a standard incentivized delay discounting task and everyday self‐control by using the day reconstruction method (DRM). Because this is the first study to measure everyday self‐control by using the DRM, we also validate the method by showing that its data replicate key results from the seminal Everyday Temptation Study. We find that present bias does not predict everyday self‐control. This points to a distinction between decreasing impatience (as measured in delay discounting tasks) and visceral influences (as occurring in everyday life) as determinants of self‐control problems. We argue that decision making research can benefit from the DRM as a cost‐effective tool that complements lab and field experiments to better understand economic preference measures and their correlates in everyday life decision making. Copyright © 2017 John Wiley & Sons, Ltd.
Kinetics based reaction optimization of enzyme catalyzed reduction of formaldehyde to methanol with synchronous cofactor regeneration
Authors: Marpani Fauziah , Sárossy Zsuzsa , Pinelo Manuel , Meyer Anne S.
Published: August 2017

Enzymatic reduction of carbon dioxide (CO2) to methanol (CH3OH) can be accomplished using a designed set‐up of three oxidoreductases utilizing reduced pyridine nucleotide (NADH) as cofactor for the reducing equivalents electron supply. For this enzyme system to function efficiently a balanced regeneration of the reducing equivalents during reaction is required. Herein, we report the optimization of the enzymatic conversion of formaldehyde (CHOH) to CH3OH by alcohol dehydrogenase, the final step of the enzymatic redox reaction of CO2 to CH3OH, with kinetically synchronous enzymatic cofactor regeneration using either glucose dehydrogenase (System I) or xylose dehydrogenase (System II). A mathematical model of the enzyme kinetics was employed to identify the best reaction set‐up for attaining optimal cofactor recycling rate and enzyme utilization efficiency. Targeted process optimization experiments were conducted to verify the kinetically modeled results. Repetitive reaction cycles were shown to enhance the yield of CH3OH, increase the total turnover number (TTN) and the biocatalytic productivity rate (BPR) value for both system I and II whilst minimizing the exposure of the enzymes to high concentrations of CHOH. System II was found to be superior to System I with a yield of 8 mM CH3OH, a TTN of 160 and BPR of 24 μmol CH3OH/U · h during 6 hr of reaction. The study demonstrates that an optimal reaction set‐up could be designed from rational kinetics modeling to maximize the yield of CH3OH, whilst simultaneously optimizing cofactor recycling and enzyme utilization efficiency.
Enhanced diastereoselective synthesis of t‐Butyl 6‐cyano‐(3R,5R)‐dihydroxyhexanoate by using aldo‐keto reductase and glucose dehydrogenase co‐producing engineered Escherichia coli
Authors: Wang Ya‐Jun , Shen Wei , Luo Xi , Liu Zhi‐Qiang , Zheng Yu‐Guo
Published: August 2017

t‐Butyl 6‐cyano‐(3R,5R)‐dihydroxyhexanoate ((3R,5R)‐2) is a key chiral diol precursor of atorvastatin calcium (Lipitor®). We have constructed a Kluyveromyces lactis aldo‐keto reductase mutant KlAKR‐Y295W/W296L (KlAKRm) by rational design in previous research, which displayed high activity and excellent diastereoselectivity (dep > 99.5%) toward t‐butyl 6‐cyano‐(5R)‐hydroxy‐3‐oxohexanoate ((5R)‐1). To realize in situ cofactor regeneration, a robust KlAKRm and Exiguobacterium sibiricum glucose dehydrogenase (EsGDH) co‐producer E. coli BL 21(DE3) pETDuet‐esgdh (MCS1)/pET‐28b (+)‐klakrm was constructed in this work. Under the optimized conditions, AKR and GDH activities of E. coli BL 21(DE3) pETDuet‐esgdh (MCS1)/pET‐28b (+)‐klakrm peaked at 249.9 U/g DCW (dry cellular weight) and 29100 U/g DCW, respectively. It completely converted (5R)‐1 at substrate loading size of up to 60.0 g/L (5R)‐1 in the absence of exogenous NADH, which was one‐fifth higher than that of the separately prepared KlAKRm and EsGDH under the same conditions. In this manner, a biocatalytic process for (3R,5R)‐2 with productivity of 243.2 kg/m3 d was developed. Compared with the combination of separate expressed KlAKRm with EsGDH, co‐expression of KlAKRm and EsGDH has the advantages of alleviating cell cultivation burden and elevating substrate load. © 2017 American Institute of Chemical Engineers Biotechnol. Prog., 33:1235–1242, 2017
Leveraging a CHO cell line toolkit to accelerate biotherapeutics into the clinic
Authors: Wright Chapman , Alves Christina , Kshirsagar Rashmi , Pieracci John , Estes Scott
Published: August 2017

The Biogen upstream platform is capable of delivering equivalent quality material throughout the cell line generation process. This allows us to rapidly deliver high‐quality biopharmaceuticals to patients with unmet medical needs. The drive to reduce time‐to‐market led the cell engineering group to develop an expression system that can enable this strategy. We have developed a clonal Chinese Hamster Ovary (CHO) host cell line that can routinely produce consistent antibody material at high titers throughout the cell line generation process. This host line enables faster delivery of early phase material through use of the highly productive stable pool or a mixture of high performance clones. Due to unique characteristics of this cell line, the product quality of material from early cell populations is very comparable to material from the final clones. This lends itself to a “fast‐to‐tox” strategy whereby toxicology studies can be performed with representative material from an earlier cell population, thus accelerating the clinical timelines. Our new clonal host offers robust and consistent performance that enables a highly productive, flexible process and faster preclinical timelines. © 2017 American Institute of Chemical Engineers Biotechnol. Prog., 33:1468–1475, 2017
Prognostic role of stereotactic body radiation therapy for elderly patients with advanced and medically inoperable pancreatic cancer
Authors: Zhu Xiaofei , Li Fuqi , Ju Xiaoping , Cao Fei , Cao Yangsen , Fang Fang , Qing Shuiwang , Shen Yuxin , Jia Zhen , Zhang Huojun
Published: August 2017

The role of stereotactic body radiation therapy for the elderly with advanced or medically inoperable pancreatic cancer was still debated. Therefore, we evaluated the value of stereotactic body radiation therapy and its association with survival of those patients. A total of 417 elderly patients were retrospectively reviewed from 2012 to 2015. Overall survival (OS), progression‐free survival (PFS), local recurrence‐free survival (LRFS), distant metastasis‐free survival (DMFS), and toxicities were analyzed. Prescription doses ranged from 30–46.8 Gy in 5–8 fractions. Median age was 73 years old. Median OS, PFS, LRFS, and DMFS were 10, 8, 10, and 9.5 months, respectively. One‐year OS, PFS, LRFS, and DMFS rate were 35.5%, 18.2%, 26.6%, and 27.1%, respectively. Tumor stage and tumor response at 6 months and CA19‐9 levels normalization at 3 months after treatment were independent predictors of OS, PFS, LRFS, and DMFS. Patients with early‐stage cancer, better tumor response, and normalization of CA19‐9 levels had significantly longer OS, PFS, LRFS, and DMFS. Patients with the prodrug of 5‐FU and radiotherapy had longer survival than those with gemcitabine‐based chemotherapy and radiotherapy. Patients who received BED10 ≥ 60 Gy achieved better tumor response compared with those who received BED10 < 60 Gy. Two patients had grade 4 intestinal strictures. No grade 3 or higher hematologic toxicities occurred. Stereotactic body radiation therapy is safe and effective for elderly patients with advanced or medically inoperable pancreatic cancer. Early efficacy could be predictive of prognosis. Higher doses may be associated with efficacy but need further investigation.
Investigation of the Blockage Conditions in a Laminated‐Sheet Microchannel Reactor
Authors: Pan Minqiang , Huang Pingnan , Vafai Kambiz
Published: August 2017

The microchannel reactor is a generally adopted laminated‐sheet structure in which several microchannel sheets with the same or different structures are laminated together and tightened by welding or other connection methods into a single reaction unit. Uniform velocity distribution among the microchannels can improve the heat and mass transfer efficiency. When one or more microchannels are blocked, the uniformity of the velocity distribution is inevitably affected. In this work, the velocity distributions among the microchannels in a single‐sheet and a double‐sheet laminated structure are investigated under different blockage conditions. It is demonstrated in detail that the different blockage conditions in the microchannels and laminated structure display different effects on the velocity value, the shape of the velocity distribution, and the evaluation parameter for uniformity.
Self‐Assembly of Cyclohelicate [M3L3] Triangles Over [M4L4] Squares, Despite Near‐Linear Bis‐terdentate L and Octahedral M
Authors: Hogue Ross W. , Dhers Sébastien , Hellyer Ryan M. , Luo Jingwei , Hanan Garry S. , Larsen David S. , Garden Anna L. , Brooker Sally
Published: August 2017

Invited for the cover of this issue is the collaborative team of Anna L. Garden, Sally Brooker and co‐workers at the University of Otago (New Zealand), along with collaborators from Victoria and Montreal (Canada). The image depicts the entropic balancing act between 4 triangles and 3 squares, an argument which must be used with caution. Read the full text of the article at 10.1002/chem.201702153.
Liquid‐liquid equilibrium for the ternary systems water + DMM3 + (p‐xylene, toluene, and n‐heptane) at different temperatures
Authors: Shi Midong , Yu Xuemin , He Gaoyin , Li Qingsong
Published: August 2017

In order to reduce the decomposition of DMM3, the DMM3 aqueous solution was separated by liquid‐liquid extraction. Liquid‐liquid equilibria (LLE) data for three ternary systems of water + DMM3 + p‐xylene, water + DMM3 + toluene, and water + DMM3 + n‐heptane were measured under atmospheric pressure at 303.15 K and 313.15 K. The results indicated that p‐xylene, toluene, and n‐heptane showed excellent extraction ability for separating DMM3 aqueous solution. Moreover, the LLE data were correlated by NRTL and UNIQUAC models with good agreement.
Privacy‐preserving smart data storage for financial industry in cloud computing
Authors: Qiu Meikang , Gai Keke , Zhao Hui , Liu Meiqin
Published: August 2017

The recent booming development of cloud computing has enabled a dramatical revolution for current enterprises to create values. Numerous benefits of utilizing cloud services are enhancing the efficiency of improving or creating new businesses. This trend is also associated with the rapid growth of the wireless networks, such as 5G. However, the great increase of deploying clouds also leads to new concerns in data security. One of the major concerns is private leakage that derives from insiders' malicious operations or attacks. This problem has raised a great restriction for financial firms to execute cloud applications. Focusing on this issue, we propose a new solution, entitled Privacy‐Preserving Smart Storage (PS2) model that targets at solving the privacy leakage problems within the existing threat models. The proposed approach uses a novel distributed data storage method to prevent financial enterprises from insiders' massive data mining‐based attacks.
Interfacial Water Drives Improved Proton Transport in Siliceous Nanocomposite Nafion Thin Films
Authors: Goossens Pieter‐Jan , Vallaey Brecht , Verlinden Jesse , Martens Johan A. , Rongé Jan
Published: August 2017

Nafion proton exchange membranes dehydrate when they are used in the gas phase and in high‐temperature applications, such as fuel cells and (photo)electrolysis. Retaining a high level of membrane hydration under such conditions can be achieved by using inorganic fillers, but has never been demonstrated for thin films. Herein, several types of siliceous nanoparticles were incorporated for the first time into Nafion thin films. For composite Nafion materials, increased water uptake does not always induce increased proton conductivity. Here, increased water uptake did result in higher proton conductivity due to a synergistic effect within the composite film. The nanocomposites displayed a higher water uptake than could be expected based on the water uptake of the individual materials. Excess water present at the Nafion–filler interface was found to cause the proton conductivity of nanocomposite Nafion/Ludox AS‐40 thin films to double compared with pristine Nafion at low relative humidity (from 2 to 4 mS cm−2). Knowledge about the properties of such interfaces will allow for the better design of self‐humidifying nanocomposite Nafion membranes, films, and catalyst layers.
Understanding the Photovoltaic Performance of Perovskite–Spirobifluorene Solar Cells
Authors: Song Zhen , Liu Jiang , Wang Gang , Zuo Wentao , Liao Cheng , Mei Jun
Published: August 2017

Lead halide perovskite solar cells with remarkable power conversion efficiency have attracted much attention in recent years. However, there still exist many problems with their use that are not completely understood, and further studies are needed. Herein, the hole‐transport layer dependence of the photovoltaic performance of perovskite solar cells is investigated in detail. It is found that devices freshly prepared using pristine 2,2′,7,7′‐tetrakis‐(N,N‐di‐p‐methoxyphenylamine)‐9,9′‐spirobifluorene (spiro‐OMeTAD) and Li‐doped spiro‐OMeTAD as hole‐transport layers exhibit S‐shaped current density–voltage curves with poor fill factors. The devices show progressively improved fill factors and efficiencies upon exposure to air, which is attributed to air‐induced conductivity improvement in the spiro‐OMeTAD layer. After introducing a cobalt salt dopant (FK209) into the spiro‐OMeTAD layer, the corresponding devices show remarkable performance without the need of air exposure. These results confirm that the dopant not only increases the conductivity of spiro‐OMeTAD layer, but also tunes the surface potential, which helps to improve charge transport and reduce the recombination loss.
Modulating Excitonic Recombination Effects through One‐Step Synthesis of Perovskite Nanoparticles for Light‐Emitting Diodes
Authors: Kulkarni Sneha A. , Muduli Subas , Xing Guichuan , Yantara Natalia , Li Mingjie , Chen Shi , Sum Tze Chien , Mathews Nripan , White Tim J. , Mhaisalkar Subodh G.
Published: August 2017

The primary advantages of halide perovskites for light‐emitting diodes (LEDs) are solution processability, direct band gap, good charge‐carrier diffusion lengths, low trap density, and reasonable carrier mobility. The luminescence in 3 D halide perovskite thin films originates from free electron‐hole bimolecular recombination. However, the slow bimolecular recombination rate is a fundamental performance limitation. Perovskite nanoparticles could result in improved performance but processability and cumbersome synthetic procedures remain challenges. Herein, these constraints are overcome by tailoring the 3 D perovskite as a near monodisperse nanoparticle film prepared through a one‐step in situ deposition method. Replacing methyl ammonium bromide (CH3NH3Br, MABr) partially by octyl ammonium bromide [CH3(CH2)7NH3Br, OABr] in defined mole ratios in the perovskite precursor proved crucial for the nanoparticle formation. Films consisting of the in situ formed nanoparticles displayed signatures associated with excitonic recombination, rather than that of bimolecular recombination associated with 3 D perovskites. This transition was accompanied by enhanced photoluminescence quantum yield (PLQY≈20.5 % vs. 3.40 %). Perovskite LEDs fabricated from the nanoparticle films exhibit a one order of magnitude improvement in current efficiency and doubling in luminance efficiency. The material processing systematics derived from this study provides the means to control perovskite morphologies through the selection and mixing of appropriate additives.
Effects of the Formulations of Silicon‐Based Composite Anodes on their Mechanical, Storage, and Electrochemical Properties
Authors: Assresahegn Birhanu Desalegn , Bélanger Daniel
Published: August 2017

In this work, the effects of the formulation of silicon‐based composite anodes on their mechanical, storage, and electrochemical properties were investigated. The electrode formulation was changed through the use of hydrogenated or modified (through the covalent attachment of a binding additive such as polyacrylic acid) silicon and acetylene black or graphene sheets as conducting additives. A composite anode with a covalently grafted binder had the highest elongation without breakages and strong adhesion to the current collector. These mechanical properties depend significantly on the conductive carbon additive used and the use of graphene sheets instead of acetylene black can improve elongation and adhesion significantly. After 180 days of storage under ambient conditions, the electronic conductivity and discharge capacity of the modified silicon electrode showed much smaller decreases in these properties than those of the hydrogenated silicon composite electrode, indicating that the modification can result in passivation and a constant composition of the active material. Moreover, the composite Si anode has a high packing density. Consequently, thin‐film electrodes with very high material loadings can be prepared without decreased electrochemical performance.
Electrocatalytic Conversion of Carbon Dioxide and Nitrate Ions to Urea by a Titania–Nafion Composite Electrode
Authors: Saravanakumar Duraisamy , Song Jieun , Lee Sunhye , Hur Nam Hwi , Shin Woonsup
Published: August 2017

CO2 and nitrate ions were successfully converted to urea by a TiO2–Nafion nanocomposite electrode under ambient conditions. The composite electrode was constructed by dropcasting the mixture of P25 titania and Nafion solution on an indium‐doped tin oxide (ITO) electrode. When the electrode was electrolyzed in CO2‐saturated 0.1 m KNO3 (pH 4.5) solution at −0.98 V versus Ag/AgCl, urea was formed with a Faradaic efficiency of 40 %. The other reduced products obtained were NH3, CO, and H2.