Amplifiers and Lasers in PCF Configurations

In this paper we will present an overview of the use of photonic crystal fibers as fiber amplifiers. We will describe the basic concepts of optical amplification, and how to do numerical modelling of such components. We will then identify advantages and disadvantages of amplifiers based on PCF technology compared to conventional fibers, and then go into greater detail on some of these specific applications, such as low pump power amplifiers, and high-power double-clad amplifiers and lasers.     

Configuration and E/Z interconversion mechanism of O(S)-allyl-S(O)-methyl-N-(acridin-9-yl) iminothiocarbonate

The configuration and dynamic behavior of O-allyl-S-methyl-N-(acridin-9-yl)iminothiocarbonate (1) and its S-allyl-O-methyl regioisomer (2) were studied using quantum chemical calculations and by applying a novel graphical method to scatter maps obtained from MD simulations for evaluation of an NOE-weighted internuclear distance (r(NOE)). Energy calculations indicated that the Z configuration was predominant for each compound and, further, this was supported both by the calculated chemical shifts and the r(NOE). Both N-inversion- and rotation-type transition-state structures were also calculated for the E/Z isomerization process, the results indicating that the preferred interconversion mechanism for 1 is N-inversion, but contrastingly, interconversion via rotation is equally as probable as N-inversion for 2. This supports the notion that one or the other or both pathways can be active and each system needs to be assessed on a case-by-case basis.     

Simulation of 3D inclined/rotated UV lithography and its application to microneedles

A 3D model is set up to simulate the exposure process of inclined/rotated UV lithography for negative SU-8 resists. The formation of inclined resist pillars and microstructures with truncated cone shapes is simulated based on a 3D exposure model in combination with a post exposure bake model for chemically amplified resists and the Mack development model. As one of the interesting applications employing this promising lithography technique for MEMS fabrication, a solid microneedle for drug delivery is simulated.     

Aggressive dereplication using UHPLC–DAD–QTOF: screening extracts for up to 3000 fungal secondary metabolites

In natural-product drug discovery, finding new compounds is the main task, and thus fast dereplication of known compounds is essential. This is usually performed by manual liquid chromatography-ultraviolet (LC-UV) or visible light-mass spectroscopy (Vis-MS) interpretation of detected peaks, often assisted by automated identification of previously identified compounds. We used a 15 min high-performance liquid chromatography–diode array detection (UHPLC–DAD)–high-resolution MS method (electrospray ionization (ESI)⁺ or ESI^?), followed by 10–60 s of automated data analysis for up to 3000 relevant elemental compositions. By overlaying automatically generated extracted-ion chromatograms from detected compounds on the base peak chromatogram, all major potentially novel peaks could be visualized. Peaks corresponding to compounds available as reference standards, previously identified compounds, and major contaminants from solvents, media, filters etc. were labeled to differentiate these from compounds only identified by elemental composition. This enabled fast manual evaluation of both known peaks and potential novel-compound peaks, by manual verification of: the adduct pattern, UV–Vis, retention time compared with log D, co-identified biosynthetic related compounds, and elution order. System performance, including adduct patterns, in-source fragmentation, and ion-cooler bias, was investigated on reference standards, and the overall method was used on extracts of Aspergillus carbonarius and Penicillium melanoconidium, revealing new nitrogen-containing biomarkers for both species.     

Dynamic Relative Permeability and Simulation of WAG Injection Processes

In this work, we investigate the impact of mobility changes due to flow reversals from co-current to counter-current flow on the displacement performance of water alternating gas (WAG) injection processes. In WAG processes, the injected gas will migrate toward the top of the formation while the injected water will migrate toward the bottom of the formation. The segregation of gas, oil and water phases will result in counter-current flow occurring in the vertical direction in some portions of the reservoir during the displacement process. Previous experimental and theoretical studies of counter-current flow have shown that the relative mobility of each of the phases in a porous medium is considerably less when counter-current flow prevails as compared to co-current flow settings. A reduction of the relative permeability in the vertical direction results in a dynamic anisotropy in phase mobilities. This effect has, to the best of our knowledge, not previously been considered in the modeling and simulation of WAG processes. A new flow model that accounts for flow reversals in the vertical direction has been implemented and tested in a three-phase compositional reservoir simulator. In order to investigate the impact of flow reversals, results from the new flow model are compared to cases where counter-current flow effects on the phase mobilities are ignored. A range of displacement settings, covering relevant slug sizes, have been investigated to gauge the impact of mobility reductions due to flow reversals. Significant differences, in terms of saturation distribution, producing GOR and oil recovery, are observed between the conventional flow model (ignoring mobility reductions due to counter-current flow) and the proposed new model that accounts for reductions in phase mobility during counter-current flow. Accordingly, we recommend that an explicit representation of flow transitions between co-current and counter-current flow (and the related impact on phase mobilities) should be considered to ensure accurate and optimal design of WAG injection processes.