bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis and mode of action studies of novel {2‐(3‐R‐1H‐1,2,4‐triazol‐5‐yl)phenyl}amines to combat pathogenic fungi
Authors: Antypenko Lyudmyla , Sadykova Zhanar , Shabelnyk Kostiantyn , Meyer Fatuma , Kovalenko Sergiy , Meyer Vera , Garbe Leif‐Alexander , Steffens Karl
Published: August 2019

Due to their high specificity and efficacy, triazoles have become versatile antifungals to treat fungal infections in human healthcare and to control phytopathogenic fungi in agriculture. However, azole resistance is an emerging problem affecting human health as well as food security. Here we describe the synthesis of 10 novel {2‐(3‐R‐1H‐1,2,4‐triazol‐5‐yl)phenyl}amines. Their structure was ascertained by liquid chromatography–mass spectrometry, 1H and 13C NMR, and elemental analysis data. Applying an in vitro growth assay, these triazoles show moderate to significant antifungal activity against the opportunistic pathogen Aspergillus niger, 12 fungi (Fusarium oxysporum, Fusarium fujikuroi, Colletotrichum higginsianum, Gaeumannomyces graminis, Colletotrichum coccodes, Claviceps purpurea, Alternaria alternata, Mucor indicus, Fusarium graminearum, Verticillium lecanii, Botrytis cinerea, Penicillium digitatum) and three oomycetes (Phytophtora infestans GL‐1, P. infestans 4/91; R+ and 4/91; R−) in the concentration range from 1 to 50 µg/ml (0.003–2.1 μM). Frontier molecular orbital energies were determined to predict their genotoxic potential. Molecular docking calculations taking into account six common fungal enzymes point to 14α‐demethylase (CYP51) and N‐myristoyltransferase as the most probable fungal targets. With respect to effectiveness, structure–activity calculations revealed the strong enhancing impact of adamantyl residues. The shown nonmutagenicity in the Salmonella reverse‐mutagenicity assay and no violations of drug‐likeness parameters suggest the good bioavailability and attractive ecotoxicological profile of the studied triazoles.
Stationary Probabilities and Asymptotic Behaviour of a non‐Markovian Model with Linear Transition Rule
Authors: Rickert U. , Theodorescu R.
Published: August 2019

Explicit and recursive formulae are obtained for then‐step stochastic kernel, and its stationarity and asymptotic behaviour is examined for a special class of non‐Markovian models with a linear transition rule occuring in learning theory, adaption theory, control theory, and biological research.
One‐sided Tests for Comparing Treatment Effects for Qualitative Data
Authors: Krauth J.
Published: August 2019

Various one‐sided tests for the comparison of differential treatment effects in two independent groups are developed for qualitative data. This is done for matched and for independent samples, in the case of identical and of different initial distributions. Tests for various kinds of treatment effects are considered. In each case the two observed contingency tables are collapsed into two independent fourfold tables. It is described in which way to select the appropriate procedure for practical problems, and most methods are illustrated in detail by means of a numerical example from clinical psychology.
Estimation of a Difference in Finite Populations with Missing Observations
Authors: Bouza C. N.
Published: August 2019

Sampling strategies for the difference are constructed when missing observations are present. Two different situations are analyzed. One of them is related with a non random device settled by the statistician for reducing costs. The other is a non response problem. An unbiased minimum variance estimator is obtained in the first case and an approximation to it is deduced. The unbiased estimation in the second is associated with subsampling tactics.
DNA‐Functionalized Plasmonic Nanomaterials for Optical Biosensing
Authors: Tian Yuanyuan , Zhang Lei , Wang Lianhui
Published: August 2019

Plasmonic nanomaterials, especially Au and Ag nanomaterials, have shown attractive physicochemical properties, such as easy functionalization and tunable optical bands. The development of this active subfield paves the way to the fascinating biosensing platforms. In recent years, plasmonic nanomaterials–based sensors have been extensively investigated because they are useful for genetic diseases, biological processes, devices, and cell imaging. In this account, a brief introduction of the development of optical biosensors based on DNA‐functionalized plasmonic nanomaterials is presented. Then the common strategies for the application of the optical sensors are summarized, including colorimetry, fluorescence, localized surface plasmon resonance, and surface‐enhanced resonance scattering detection. The focus is on the fundamental aspect of detection methods, and then a few examples of each method are highlighted. Finally, the opportunities and challenges for the plasmonic nanomaterials–based biosensing are discussed with the development of modern technologies.
A critique of prospect theory and framing with particular reference to consumer decisions
Authors: Rossiter John R.
Published: August 2019

Prospect theory is criticized in this article for being borrowed from psychology without appropriate acknowledgement, for requiring mathematical calculations that are beyond the average person, for not investigating information processing during prospect theory choices, and for lacking application to real‐world decisions—such as important product and service choices made by consumers. Further criticism is leveled at the prospect theory‐derived technique known as “framing,” which is based on one‐sided presentation of information and would be unethical in most consumer behavior situations.
Rational Engineering of Hydratase from Lactobacillus acidophilus Reveals Critical Residues Directing Substrate Specificity and Regioselectivity
Authors: Eser Bekir Engin , Poborsky Michal , Dai Rongrong , Kishino Shigenobu , Ljubic Anita , Takeuchi Michiki , Jacobsen Charlotte , Ogawa Jun , Kristensen Peter , Guo Zheng
Published: August 2019

Enzymatic conversion of fatty acids (FAs) by fatty acid hydratases (FAHs) presents a green and efficient route for high‐value hydroxy fatty acid (HFA) production. However, limited diversity was achieved among HFAs, to date, with respect to chain length and hydroxy position. In this study, two highly similar FAHs from Lactobacillus acidophilus were compared: FA‐HY2 has a narrow substrate scope and strict regioselectivity, whereas FA‐HY1 utilizes longer chain substrates and hydrates various double‐bond positions. It is revealed that three active‐site residues play a remarkable role in directing substrate specificity and regioselectivity of hydration. If these residues on FA‐HY2 are mutated to the corresponding ones in FA‐HY1, a significant expansion of substrate scope and a distinct enhancement in hydration of double bonds towards the ω‐end of FAs is observed. A three‐residue mutant of FA‐HY2 (TM‐FA‐HY2) displayed an impressive reversal of regioselectivity towards linoleic acid, shifting the ratio of the HFA regioisomers (10‐OH/13‐OH) from 99:1 to 12:88. Notable changes in regioselectivity were also observed for arachidonic acid and for C18 polyunsaturated fatty acid substrates. In addition, TM‐FA‐HY2 converted eicosapentaenoic acid into its 12‐hydroxy product with high conversion at the preparative scale. Furthermore, it is demonstrated that microalgae are a source of diverse FAs for HFA production. This study paves the way for tailor‐made FAH design to enable the production of diverse HFAs for various applications from the polymer industry to medical fields.
Medication‐induced obstructive uropathy and hyperprolactinemia in a pediatric patient
Authors: Nkansah‐Amankra Kwabena , Sudhanthar Sathyanarayan
Published: August 2019

Hyperprolactinemia can result from a pituitary tumor or decreased dopamine levels due to compression of the pituitary stalk. Hypothyroidism, renal failure, and drug interaction need to be ruled out as a part of diagnostic evaluation. The prolactin level often indicates the etiology, but drug interaction needs to be ruled out mainly in a patient who is on multiple medications.
Anderson Localization in 2D Amorphous MoO3‐x Monolayers for Electrochemical Ammonia Synthesis
Authors: Liu Wei , Li Chong , Xu Qun , Yan Pengfei , Niu Chunyao , Shen Yonglong , Yuan Pengfei , Jia Yu
Published: August 2019

Two‐dimensional amorphous semiconductor (2DAS) monolayers can be regarded as a new phase of 2D monolayers materials and will serve as a promising field for the various electronic and optoelectronic applications. Here, together with the first‐principles calculations within density functional theory, we experimentally demonstrate that the 2DAS MoO3‐x monolayers can enhance the electrochemical nitrogen reduction reaction (NRR). To be specific, the NH3 yield and faradaic efficiency (FE) reach 35.83 ug h−1 mg−1cat at −0.40 V and 12.01 % at −0.20 V vs. reversible hydrogen electrode (RHE), respectively, and which can be dramatically improved than that of reported defective MoO3 nanosheets. Further theoretical calculations reveal that the high electrochemical performance in NH3 yield is contributed to the strong Anderson localization and electron confinement dimensionally. And such Anderson tail states can resonate effectively with the states of intermediate HNNH, playing the critical role in the rate limiting step of NRR. Integrated experimental findings and theoretical understanding, a new concept of Anderson confinement catalysis is put forward, and could be extended to other 2DAS for potential catalytic reactions.
Rational Generation of Fe−Nx Active Sites in Fe−N−C Electrocatalysts Facilitated by Fe−N Coordinated Precursors for the Oxygen Reduction Reaction
Authors: Kim Minhyoung , Yoo Ji Mun , Ahn Chi‐Yeong , Jang Jue‐Hyuk , Son Yoon Jun , Shin Heejong , Kang Jiho , Kang Yun Sik , Yoo Sung Jong , Lee Kug‐Seung , Sung Yung‐Eun
Published: August 2019

Fe−N−C catalysts synthesized by pyrolysis of Fe and N precursors have been intensively studied due to their remarkable activities for the electrochemical oxygen reduction reaction (ORR). Although Fe−N4 coordinated structures have been suggested as active sites by recent spectroscopic studies, the influence of precursor coordination on the generation of the active sites during high‐temperature pyrolysis is not well understood. In this work, phenanthroline isomers were used as systematic model precursors to reveal the correlation between precursor coordination and active site formation in Fe−N−C catalysts. Coordination between Fe and each phenanthroline isomer was effectively controlled by the molecular structure: monodentate (1,7‐ and 4,7‐phenanthroline) and bidentate coordination (1,10‐phenanthroline). Through X‐ray absorption spectroscopy and X‐ray photoelectron spectroscopy study, large difference in atomic distribution of both Fe and N was revealed; the preferential formation of Fe‐Nx active sites was featured only in Fe(1,10‐phenanthroline)/KB with homogeneously distributed Fe and highly retained pyridinic N. With Fe‐Nx active site moieties, Fe(1,10‐phenanthroline)/KB exhibited superior ORR activity and stability in alkaline half‐cell and full‐cell tests. These results highlight the importance of the use of precursors with multiple coordination (i. e. bidentate) for the effective derivation of Fe‐Nx active sites for highly active and stable ORR electrocatalysts.
Hydrothermal Synthesis of NiCo2O4/CoMoO4 Nanocomposite as a High‐Performance Electrode Material for Hybrid Supercapacitors
Authors: Guo Wei , Wu Yueli , Tian Yamei , Lian Xiaojuan , Li Jiyang , Wang Shuang
Published: August 2019

The hierarchical hollow NiCo2O4/CoMoO4 hybrid composite was directly grown on Ni foam (NF) under hydrothermal conditions at 110–140 °C for different growth times. This robust hollow structure benefits from a weakly alkaline environment provided by tetramethyl ammonium hydroxide and can provide a large surface area, low resistance, and many active sites to facilitate electrolyte ion transport and fast redox reactions. The as‐prepared NiCo2O4/CoMoO4 hybrid with synergetic effects shows improved electrochemical properties with an excellent capacitance (2080 F/g at 1 A/g) and long‐term cycling reliability (70 % retention undergoing 3000 cycles at 10 A/g). An assembled hybrid supercapacitor based on the as‐prepared NiCo2O4/CoMoO4 hybrid electrode delivers a high energy density of 35.63 Wh/kg at a power density of 845 W/kg and a long‐term cycling life (capacitance retention of 71.4 % over 9000 cycles). Thus, the as‐prepared NiCo2O4/CoMoO4 nanocomposite has a definite advantage for supercapacitor electrode materials.
Cu2O−Cu2Se Mixed‐Phase Nanoflake Arrays: pH‐Universal Hydrogen Evolution Reactions with Ultralow Overpotential
Authors: Ray Chaiti , Lee Su Chan , Jin Bingjun , Chung Kyung Yoon , Guo Shiyin , Zhang Shengli , Zhang Kan , Park Jong Hyeok , Jun Seong Chan
Published: August 2019

Most developed hydrogen evolution reaction (HER) electrocatalysts have pH‐dependent functionalities, which limit their universal applications. Pt, the ideal HER electrocatalyst, is also highly effective in specific pH conditions. In the present article, we report a copper‐based transition‐metal chalcogenide from anion engineering. Hierarchical three‐dimensional (3D) Cu2O−Cu2Se nanoflake arrays (COCS NFs) are grown directly on nickel foam (NF) by combining the rapid electrodeposition technique with the room temperature wet‐chemical selenization method. Via the synergetic effects of the proper ratio of Se and O, as‐synthesized COCS NFs manage to accomplish key‐requirements for pH‐universal HER performances with overpotential values of 52.9, 62.8, and 77.8 mV, in alkaline, neutral, and acidic media, respectively, at 10 mA cm−2. The electrocatalyst also possesses superb stability at constant 10 mA cm−2 current density for 50 h in all electrolytes. This work offers a synthesis protocol of a mixed‐anion composite with the revelation about the importance of anion modulation towards electrode surface properties and HER performances.
Development of N‐Phosphinomethyl‐Substituted NHC‐Nickel(0) Complexes as Robust Catalysts for Acrylate Salt Synthesis from Ethylene and CO2
Authors: Takahashi Kohei , Cho Kinryo , Iwai Asaki , Ito Tatsuyoshi , Iwasawa Nobuharu
Published: August 2019

By using a nickel complex with an N‐phosphinomethyl‐N‐heterocyclic carbene ligand (NHC‐P), the reducing ability and thermal stability of the complex were improved considerably compared to the previously reported bipyridine and bisphosphine complexes, and acrylate salt was prepared from ethylene and CO2 with the highest TON ever reported for nickel systems even without using metallic zinc. Oxidative cyclization of ethylene and CO2 on the NHC‐P nickel complex was found to proceed very rapidly compared to previous systems.
A thermodynamically consistent framework for non‐isothermal modelling of local heat generation and electromotive force in SOFC single electrodes
Authors: Amiri Saeid , Hayes Robert E. , Sarkar Partha
Published: August 2019

Mathematical models for single electrode reversible heat and non‐isothermal electromotive force (EMF) of a solid oxide fuel cell (SOFC) are developed. These models estimate the volumetric reversible heat generation and EMF of electrochemical reactions, within each electrode at local conditions of temperature and pressure, based on entropy change of half reactions. The resulting equations are thermodynamically consistent. They inherently obey the conservation of energy law as the electrochemical energy released added to the heat of reactions at each electrode equate the enthalpy change of the reacted species. The equations are implemented to model electrodes in a tubular micro‐ solid oxide fuel cell (TμSOFC). The thermodynamic consistency of the model is numerically confirmed as the enthalpy of the reactants equates the electric energy released by the cell plus the sum of electrode heats plus electrolyte Ohmic heat. The effect of thermal gradients on the cell's overall EMF is found to be negligible. The reversible and irreversible heat generation of each electrode are distinguished. Overall, the anode is found to be endothermic, and the cathode exothermic.
Research on the construction of quantum induction universe network
Authors: Yibin Xiang
Published: August 2019

The universe is filled with electromagnetic fields, quantum fields, and the other different field. They penetrate and interact with each other. Just as the interaction between magnetic materials are due to the magnetic field around the magnet contacting another magnet, between the quanta can also interact with each other through magnetic fields. Through the study of quantum mechanics and related theories of brain science, the article puts forward the following viewpoints: between quantum, which has entanglement state, cannot only interact through magnetic fields but also generate quantum induction fields to generate quantum induction waves. The entangled quantum generated spin waves are connected to each other based on quantum inductive waves to form a quantum inductive network. Then, the information is transmitted through resonance to realize the communication between all things. Thus, all things in the universe can be interconnected based on quantum entanglement effects. By analyzing the construction mode of the internet network, the paper proposes the architecture of the quantum induction communication system and the basic topology of a quantum induction internet network. Several thought experiment schemes were designed, and the information transmission between the ordinary objects and between the people and ordinary objects is studied as an example. The analysis points out the main problems faced by the construction of the quantum induction internet. It points out that the significance of constructing of the network of All things interconnect based on quantum entanglement effect is that all living bodies and nonliving bodies in the heaven and earth can be connected and communicate with each other.
Co‐existence of skeletal and ooid shoals as a result of antecedent topography—Cat cay shoal complex, Bahamas
Authors: Cruz Francisco E. G. , Eberli Gregor P.
Published: August 2019

High‐resolution seismic data reveal an unexpected Pleistocene topography underneath the Cat Cay shoal complex along the western margin of Great Bahama Bank, illustrating how Pleistocene topography focuses tidal flow to create different types of grainstone shoals. The 1–3 km wide and 35 km long shoal complex is composed of the Cat Cay ooid shoal that is a laterally continuous 8 m thick ooid shoal and a sequence of 300–600 m wide and less than 6 m thick skeletal‐dominated tidal deltas south of Ocean Cay. The skeletal tidal deltas overlie an irregular Pleistocene surface, while the Cat Cay ooid shoal is situated on a flat Pleistocene surface east of a Pleistocene rock ridge. This finding challenges the assumption that an antecedent high is needed for ooid shoal initiation. The base of the Cat Cay ooid shoal is an up to 4 m thick skeletal‐peloidal unit that is similar in composition to the skeletal tidal deltas south of Ocean Cay but their deposition was followed by an up to 4 m thick accumulation of ooids. The Pleistocene ridge west of the Cat Cay ooid shoal allowed accumulation of mud and peloids (the nucleus source), while to the south, muddy sediment was winnowed away and no ooids formed. The evolution of the two shoal types is ultimately the result of the presence and absence of antecedent topography adjacent to the shoal system, resulting in variations of mud accumulations and the formation of the nucleus in the ooid shoal. The coeval occurrence of ooid and skeletal shoals in the same complex implies that in the rock record, a vertical succession from oolitic to skeletal shoals does not indicate an environmental change such as climate or an anoxic event but rather a change in flow conditions created by antecedent topography.
Stable coexistence of equivalent nutrient competitors through niche differentiation in the light spectrum
Authors: Burson Amanda , Stomp Maayke , Mekkes Lisette , Huisman Jef
Published: August 2019

Niche‐based theories and the neutral theory of biodiversity differ in their predictions of how the species composition of natural communities will respond to changes in nutrient availability. This is an issue of major environmental relevance, as many ecosystems have experienced changes in nitrogen (N) and phosphorus (P) due to anthropogenic manipulation of nutrient loading. To understand how changes in N and P limitation may impact community structure, we conducted laboratory competition experiments using a multispecies phytoplankton community sampled from the North Sea. Results showed that picocyanobacteria (Cyanobium sp.) won the competition under N limitation, while picocyanobacteria and nonmotile nanophytoplankton (Nannochloropsis sp.) coexisted at equal abundances under P limitation. Additional experiments using isolated monocultures confirmed that Cyanobium sp. depleted N to lower levels than Nannochloropsis sp., but that both species had nearly identical P requirements, suggesting a potential for neutral coexistence under P‐limited conditions. Pairwise competition experiments with the two isolates seemed to support the consistency of these results, but P limitation resulted in stable species coexistence irrespective of the initial conditions rather than the random drift of species abundances predicted by neutral theory. Comparison of the light absorption spectra indicates that coexistence of the two species was stabilized through differential use of the underwater light spectrum. Our results provide an interesting experimental example of modern coexistence theory, where species were equal competitors in one niche dimension but their competitive traits differed in other niche dimensions, thus enabling stable species coexistence on a single limiting nutrient through niche differentiation in the light spectrum.