Abstract: In this study, we applied cluster beam deposition (CBD) as a new approach for fabricating efficient plasmon-based photocatalytic materials. Au nanoclusters (AuNCs) produced in the gas phase were deposited on TiO2 P25-coated silicon wafers with coverage ranging from 2 to 8 atomic monolayer (ML) equivalents. Scanning Electron Microscopy (SEM) images of the AuNCs modified TiO2 P25 films show that the surface is uniformly covered by the AuNCs that remain isolated at low coverage (2 ML, 4 ML) and aggregate at higher coverage (8 ML). A clear relationship between AuNCs coverage and photocatalytic activity towards stearic acid photo-oxidation was measured, both under ultraviolet and green light illumination. TiO2 P25 covered with 4 ML AuNCs showed the best stearic acid photo-oxidation performance under green light illumination (Formal Quantum Efficiency 1.6 x 10-6 over a period of 93 h). These results demonstrate the large potential of gas-phase AuNCs beam deposition technology for the fabrication of visible light active plasmonic photocatalysts.

Abstract: Using the tight-binding approach, we investigate the energy spectrum of square, triangular, and hexagonal MoS2 quantum dots (QDs) in the presence of a perpendicular magnetic field. Novel edge states emerge in MoS2 QDs, which are distributed over the whole edge which we call ring states. The ring states are robust in the presence of spin-orbit coupling (SOC). The corresponding energy levels of the ring states oscillate as a function of the perpendicular magnetic field which are related to Aharonov-Bohm oscillations. Oscillations in the magnetic field dependence of the energy levels and the peaks in the magneto-optical spectrum emerge (disappear) as the ring states are formed (collapsed). The period and the amplitude of the oscillation decrease with the size of the MoS2 QDs.

Abstract: By employing density functional theory-based methods, the structural, vibrational, electronic, and magnetic properties of monolayer -RuCl3 were investigated. It was demonstrated that ferromagnetic (FM) and zigzag-antiferromagnetic (ZZ-AFM) spin orders in the material have very close total energies with the latter being the ground state. We found that each Ru atom possesses a magnetic moment of 0.9 (B) and the material exhibits strong magnetic anisotropy. While both phases exhibit indirect gaps, the FM phase is a magnetic semiconductor and the ZZ-AFM phase is a non-magnetic semiconductor. The structural stability of the material was confirmed by phonon calculations. Moreover, dynamical analysis revealed that the magnetic order in the material can be monitored via Raman measurements of the crystal structure. In addition, the magnetic ground state of the material changes from ZZ-AFM to FM upon certain applied strains. Valence and conduction band-edges of the material vary considerably under in-plane strains. Owing to the stable lattice structure and unique and controllable magnetic properties, monolayer -RuCl3 is a promising material in nanoscale device applications.

Abstract: SIRT6 and COX-2 are oncogenes target that promote the expression of proinflammatory and pro-survival proteins through a signaling pathway, which leads to increased survival and proliferation of tumor cells. However, COX-2 also suppresses skin tumorigenesis and their relationship with SIRT6, making it an interesting target for the discovery of drugs with anti-inflammatory and anti-cancer properties. Herein, we studied the interaction of thieno[3,2-c] pyran analogs and RONS species with SIRT6 and COX-2 through the use of molecular docking and molecular dynamic simulations. Molecular docking studies revealed the importance of hydrophobic and hydrophilic amino acid residues for the stability. The molecular dynamics study examined conformational changes in the enzymes caused by the binding of the substrates and how those changes affected the stability of the protein-drug complex. The average RMSD values of the backbone atoms in compounds 6 and 10 were calculated from 1000 ps to 10000 ps and were found to be 0.13 nm for both compounds. Similarly, the radius of gyration values for compounds 6 and 10 were found to be 1.87 +/- 0.03 nm and 1.86 +/- 0.02 nm, respectively. The work presented here, will be of great help in lead identification and optimization for early drug discovery.

Abstract: Measuring temperature in biological environments is an ambitious goal toward supporting medical treatment and diagnosis. Minimally invasive techniques based on optical probes require very specific properties that are difficult to combine within a single material. These include high chemical stability in aqueous environments, optical signal stability, low toxicity, high emission intensity, and, essential, working at wavelengths within the biological transparency windows so as to minimize invasiveness while maximizing penetration depth. We propose CaF2:Nd3+,Y3+ as a candidate for thermometry based on an intraband ratiometric approach, fully working within the biological windows (excitation at 808 nm; emission around 1050 nm). We optimized the thermal probes through the addition of Y3+ as a dopant to improve both emission intensity and thermal sensitivity. To define the conditions under which the proposed technique can be applied, gold nanorods were used to optically generate subtissue hot areas, while the resulting temperature variation was monitored with the new nanothermometers.

Abstract: Using first principles calculations, we study the structural and phononic properties of the recently synthesized Janus type single layers of molybdenum dichalcogenides. The Janus MoSSe single layer possesses 2H crystal structure with two different chalcogenide sides that lead to out-of-plane anisotropy. By virtue of the asymmetric structure of the ultra-thin Janus type crystal, we induced the out-of-plane anisotropy to show the distinctive vertical pressure effect on the vibrational properties of the Janus material. It is proposed that for the corresponding Raman active optical mode of the Janus structure, the phase modulation and the magnitude ratio of the strained atom and its first neighbor atom adjust the distinctive change in the eigen-frequencies and Raman activity. Moreover, a strong variation in the Raman activity of the Janus structure is obtained under bivertical and univertical strains. Not only eigen-frequency shifts but also Raman activities of the optical modes of the Janus structure exhibit distinguishable features. This study reveals that the vertical anisotropic feature of the Janus structure under Raman measurement allows us to distinguish which side of the Janus crystal interacts with the externals (substrate, functional adlayers, or dopants). Published by AIP Publishing.

Abstract: Nanocrystalline tin dioxide modified by Pd and Pt clusters or by bimetallic PdPt nanoparticles was synthesized. Distribution of the modifers on the SnO2 surface was studied by high-resolution transmission electron microscopy and energy dispersive X-ray microanalysis with element distribution mapping. It was shown that the Pd/Pt ratio in bimetallic particles varies over a broad range and does not depend on the particle diameter. The effect of platinum metals on the reducibility of nanocrystalline SnO2 by hydrogen was determined. The sensing properties of the resulting materials towards 6.7 ppm CO in air were estimated in situ by electrical conductivity measurements. The sensor response of SnO2 modified with bimetallic PdPt particles was a superposition of the signals of samples with Pt and Pd clusters.

Abstract: Market power is a complex matter that is approximated with quantitative indicators within economics. However, these indicators may not fully capture market power, or they may fail to identify it, although it may be present. Moreover, a quantitative approach restricts market power as a concept, impeding the ability to discuss its relationship with other concepts, such as sustainability. This paper extends the definition of market power, following Foucaults understanding of power and the associated theoretical discussions of power from different disciplines. We extended Foucaults work by including systems thinking to capture the importance of the prevalent systems paradigm, which is the ultimate initiator of action. Apart from distinguishing different elements of power, we also integrate an instrumental view on the elements of power. The developed frame allows us to understand the dynamic character of power as a force that strives to maintain or ameliorate the position of the paradigm that it serves. Based on this frame, we outline how this extended understanding of power can be used to analyze market power itself, and its relation with sustainability.

Abstract: A detailed conductive atomic force microscopic investigation is carried out to directly image the electron emission behavior for nitrogen-doped diamond nanorods (N-DNRs). Localized emission measurements illustrate uniform distribution of high-density electron emission sites from N-DNRs. Emission sites coupled to nano graphitic phases at the grain boundaries facilitate electron transport and thereby enhance field electron emission from N-DNRs, resulting in a device operation at low turn-on fields of 6.23 V/mu m, a high current density of 1.94 mA/cm(2) (at an applied field of 11.8 V/mu m) and a large field enhancement factor of 3320 with a long lifetime stability of 980 min. Moreover, using N-DNRs as cathodes, a microplasma device that can ignite a plasma at a low threshold field of 390 V/mm achieving a high plasma illumination current density of 3.95 mA/cm2 at an applied voltage of 550 V and a plasma life-time stability for a duration of 433 min was demonstrated.

Abstract: Highly dispersed PtPd bimetallic nanocrystals with enhanced catalytic activity and stability were prepared by adjusting the interfacial wettability of the reaction solution on a commercial carbon support. This approach holds great promise for the development of high-performance and low-cost catalysts for practical applications.

Abstract: Background
During normal pregnancy, placental oxidative stress (OS) is present during all three trimesters and is necessary to obtain normal cell function. However, if OS reaches a certain level, pregnancy complications might arise. In preeclampsia (PE), a dangerous pregnancy specific hypertensive disorder, OS induced in the ischemic placenta causes a systemic inflammatory response and activates maternal endothelial cells. In this study, we aimed to quantify superoxide concentrations (as a measure of systemic OS) using electron paramagnetic resonance (EPR) and correlate them to markers of systemic inflammation, iron status and vascular function.
Methods
Fifty-nine women with a healthy pregnancy (HP), 10 non-pregnant controls (NP) and 28 PE patients (32±3.3weeks) were included. During HP, blood samples for superoxide, neutrophil to lymphocyte ratio (NLR), mean platelet volume (MPV) and iron status were taken at 10, 25 and 39 weeks. Vascular measurements for arterial stiffness (carotid-femoral pulse wave velocity (CF-PWV), augmentation index (AIx), augmentation Pressure (AP)) and microvascular endothelial function (reactive hyperemia index (RHI)) were performed at 35 weeks. In PE, all measurements were performed at diagnosis. CMH (1-hydroxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine) was used as spin probe for EPR, since the formed CM radical
corresponds to the amount of superoxide.
Results
Superoxide concentration remains stable during pregnancy (p = 0.92), but is significantly higher compared to the NP controls (p<0.0001). At 25 weeks, there is a significant positive correlation between superoxide and ferritin concentration. (p = 0.04) In PE, superoxide, systemic inflammation and iron status are much higher compared to HP (all p<0.001). During HP, superoxide concentrations correlate significantly with arterial stiffness (all p<0.04), while in PE superoxide is significantly correlated to microvascular endothelial function (p = 0.03).
Conclusions
During HP there is an increased but stable oxidative environment, which is correlated to ferritin concentration. If superoxide levels increase, there is an augmentation in arterial stiffness. In PE pregnancies, systemic inflammation and superoxide concentrations are higher and result in a deterioration of endothelial function. Together, these findings support the hypothesis that vascular function is directly linked to the amount of OS and that measurement of OS in combination with vascular function tests might be used in the prediction of PE.

Abstract: Nonthermal plasma is a promising alternative for ammonia synthesis at gentle conditions. Metal meshes of Fe, Cu, Pd, Ag, and Au were employed as catalysts in radio frequency plasma for ammonia synthesis. The energy yield for all these transition metal catalysts ranged between 0.12 and 0.19 g-NH3/kWh at 300 W and, thus, needs further improvement. In addition, a semimetal, pure gallium, was used for the first time as catalyst for ammonia synthesis, with energy yield of 0.22 g-NH3/kWh and with a maximum yield of ∼10% at 150 W. The emission spectra, as well as computer simulations, revealed hydrogen recombination as a primary governing parameter, which depends on the concentration or flux of H atoms in the plasma and on the catalyst surface. The simulations helped to elucidate the underlying mechanism, implicating the dominance of surface reactions and surface adsorbed species. The rate limiting step appears to be NH2 formation on the surface of the reactor wall and on the catalyst surface, which is different from classical catalysis.

Abstract: Nearly half of the world cereal production comes from soils low or marginal in plant available zinc, leading to unsustainable and poor quality grain production. Therefore, the effects of nitrogen (N) rate and application time on zinc (Zn) and iron (Fe) concentration in wheat grain were investigated. Wheat (Triticum aestivum var. Krabat) was grown in a growth chamber with 8 and 16 h of day and night periods, respectively. The N rates were 29, 43, and 57 mg N kg(-1) soil, equivalent to 80, 120, and 160 kg N ha(-1). Zinc and Fe were applied at 10 mg kg(-1) growth media. In one of the N treatments, additional Zn and Fe through foliar spray (6 mg of Zn or Fe in 10 ml water / pot) was applied. Micro-analytical localization of Zn and Fe within grain was performed using scanning macro-X-ray fluorescence (MA-XRF) and laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS). The following data were obtained: grain and straw yield pot 1, 1000 grains weight, number of grains pot 1, whole grain protein content, concentration of Zn and Fe in the grains. Grain yield increased from 80 to 120 kg N ha(-1) rates only and decreased at 160 kg N ha(-1) g. Relatively higher protein content and Zn and Fe concentration in the grain were recorded with the split N application of 160 kg N ha(-1). Soil and foliar supply of Zn and Fe (Zn + Fes+f), with a single application of 120 kg N ha(-1) N at sowing, increased the concentration of Zn by 46% and of Fe by 35%, as compared to their growth media application only. Line scans of freshly cut areas of sliced grains showed co-localization of Zn and Fe within germ, crease and aleurone. We thus conclude that split application of N at 160 kg ha(-1) at sowing and stem elongation, in combination with soil and foliar application of Zn and Fe, can be a good agricultural practice to enhance protein content and the Zn and Fe concentration in grain.

Abstract: Polymetallic nodules found in the Clarion Clipperton Fracture Zone in the NE Pacific contain more nickel, manganese and cobalt than all terrestrial reserves combined. Following the 1982 Law of the Sea Convention and its 1994 Implementing Agreement, the resources of the international seabed beyond the limits of national jurisdiction will be developed for the benefit of mankind by attracting investment and technology, whilst demanding that necessary measures be taken to ensure effective protection of the marine environment. To date, no single commercial seabed mining activity has taken place in international waters, and the development of balanced and stimulating exploitation regulation is needed, based on accurate economic analysis. This paper presents the first detailed, vertically integrated, stochastic techno-economic assessment from a contractor's perspective, and contributes to the development of the world's first exploitation regulations. The economic performance measured by the internal rate of return was compared using deterministic and probabilistic commodity price forecasting models. Different levels of a financial payment regime, comprising of a royalty payment and a payment to internalize environmental costs, were considered. When real growth was included, the internal rate of return remains above the hurdle rate when a transitional, total-cost, financial payment regime is below 2 per cent during the initial period and below 4 per cent for the remaining tenure period. Following a 10-year moving average of commodity prices, including real growth, a 77.51 per cent probability was calculated of achieving a hurdle rate of 18 per cent.

Abstract: The economic viability of electricity storage using batteries, under different tariff structures and system configurations, is investigated. The economic outcomes of the different combinations of tariff design and system configuration are evaluated. Based on a discussion of the relevant literature, the following tariff designs are used in the study: (i) fixed energy prices, (ii) real-time energy pricing, (iii) fixed rate capacity tariffs, and (iv) capacity dependent capacity tariffs. Next, the different simulated system configurations are outlined: (i) no battery storage, (ii) battery storage only, and (iii) battery storage and decentralized renewable energy production with PV. Our study provides insights for policy makers, showing that capacity block pricing only incentivises storage as part of an (existing) PV installation, while the combination of real time energy pricing and capacity block pricing promotes a wider adoption of battery storage.