Surface-enhanced Raman spectroscopy (SERS) was utilized to measure low-level fentanyl concentrations mixed in common cutting agents, cocaine, 3,4-methylenedioxymethamphetamine (MDMA), methamphetamine, and caffeine. Mixtures were prepared with a fentanyl concentration range of 0-339 μM. Data was initially analyzed by plotting the area of a diagnostic peak (1026 cm-1) against concentration to generate a calibration model. This method was successful with fentanyl/MDMA samples (LOD 0.04 μM) but not for the other mixtures. A chemometric approach was then employed. The data was evaluated using principal component analysis (PCA), partial least squares (PLS1) regression, and linear discriminant analysis (LDA). The LDA model was used to classify samples into one of three designated concentration ranges, low = 0-0.4 mM, medium = 0.4-14 mM, or high >14 mM, with fentanyl concentrations correctly classified with greater than 85% accuracy. This model was then validated using a series of "blind" fentanyl mixtures and these unknown samples were assigned to the correct concentration range with an accuracy >95%. The PLS1 model failed to provide accurate quantitative assignments for the samples but did provide an accurate prediction for the presence or absence of fentanyl. The combination of the two models enabled accurate quantitative assignment of fentanyl in binary mixtures. This work establishes a proof of concept, indicating a larger sample size could generate a more accurate model. It demonstrates that samples, containing variable, low concentrations of fentanyl, can be accurately quantified, using SERS.

Pin fin geometry in the trailing edge as turbulators in turbine blades has been a subject thoroughly researched for the past several decades. To improve the efficiency of turbomachinery, higher turbine inlet temperatures are necessary, introducing the need for internal cooling channel features, such as pin fin arrays. These solutions are necessary to avoid material failure at higher operating conditions by enhancing the heat transfer of the blade. Over the past decade, a shift toward applying supercritical carbon dioxide or sCO2 cycles has shown increased potential compared to the industry standard air cycles. Promising higher cycle efficiency, smaller footprints, and zero greenhouse gas emissions, sCO2 has become an attractive alternative to well-established air cycles. This alternative cycle introduces the need to re-visit the heat transfer capabilities of internal cooling geometries within this novel operating fluid environment. The first objective of this paper is to experimentally demonstrate the heat transfer characteristics of sCO2 as the secondary internal cooling fluid environment through testing a pin fin array in a closed loop at 200 bar and 400 Celsius inlet conditions, which stands well within the supercritical region of sCO2. Secondly, the experimental process aims to validate numerical simulation methodology for studying sCO2 environments for internal cooling of turbine blades in a matching pin fin geometry.

Phase change materials (PCMs) can enhance the performance of energy systems by time shifting or reducing peak thermal loads. The effectiveness of a PCM is defined by its energy and power density—the total available storage capacity (kWh m −3 ) and how fast it can be accessed (kW m −3 ). These are influenced by both material properties as well as geometry of the energy systems; however, prior efforts have primarily focused on improving material properties, namely, maximizing latent heat of fusion and increasing thermal conductivity. The latter is often at the expense of the former. Advanced manufacturing techniques hold tremendous potential to enable co‐optimization of material properties and device geometry, while potentially reducing material waste and manufacturing time. There is an emerging body of research focused on additive manufacturing of PCM composites and devices for thermal energy storage (TES) and thermal management. In this article, the fundamentals and applications of PCMs are reviewed and recent additive manufacturing advances in latent heat TES for both the PCM composite and associated heat exchanger are discussed. A forward‐looking perspective on the future and potential of PCM additive manufacturing for TES and thermal management is provided.

Recently, several efforts have emerged that employ additive manufacturing techniques to integrate phase change material (PCM) thermal energy storage into geometrically complex designs for advanced thermal management. In this work, we contribute to this emerging research by reporting on the production of a composite nylon-based filament for fused deposition modeling incorporating encapsulated PCMs for 3D printing heat sink geometries. Microencapsulated PCM (MEPCM) with a 6 degrees C transition temperature was selected as the material for thermal energy storage. This transition temperature was selected due to its suitability to provide thermal energy storage to target air-conditioning applications in buildings. In an attempt to improve the thermal conductivity of the composite, fine boron nitride fillers were added, although the effect on improvement was found to be negligible in the overall composite mixture. The nylon-MEPCM ratio in the filaments was optimized, and filaments containing up to 40 wt% MEPCM were successfully synthesized, which were found optimal for 3D printing complex heat sink and other geometries. Thermal and mechanical properties of the filaments were characterized, including latent heat of fusion, thermal conductivity, phase change temperature, tensile strength, and more. Thermal infrared imaging of heat sink geometries printed using the MEPCM filaments undergoing thermal discharging was also conducted. This work presents the most promising result to date in the open literature for a 3D-printed PCM composite in the combination of size, energy density, and geometric complexity of printed parts.

Focused research and development of pin fin geometry in the trailing edge as turbulators in turbine blades has been a subject thoroughly researched for the past several decades. Highly efficient turbomachinery requires higher inlet temperatures, introducing the need for these internal cooling channel features to increase the heat removal of the blades and prevent material failure. Turbomachinery commonly uses air cycles to operate, but recently there has been a shift towards supercritical carbon dioxide (sCO2) power cycles. Promising higher cycle efficiency and smaller footprints, sCO2 has become an attractive alternative to the well-established turbomachinery cycles used presently. This alternative introduces the need to re-visit the local heat transfer of these internal cooling solutions with the incorporation of sCO2 as the cooling fluid. The first objective of this paper is to study the conjugate heat transfer characteristics of sCO2 as the secondary internal cooling fluid, operating at temperature and pressure conditions significantly above the critical point. A new heat transfer correlation is proposed for sCO2 in a staggered pin fin array. Secondly, the resulting sCO2 cases are compared to air cases in a matching staggered pin fin array to investigate the differences and similarities between both working fluids. The steady RANS conjugate heat transfer study was carried out with the commercial computational software STARCCM+ for the sCO2 and air cases. Finally, this study will validate a future experimental rig with matching geometry.

Processed electroencephalogram (EEG) is being increasingly used in operative anaesthetic practice for monitoring depth of anaesthesia. This potentially provides a frequently available, cost effective and simple to interpret method for monitoring status-epilepticus. This is important as continuous formal EEG monitoring (the NICE gold standard) is not available in most critical care environments. We undertook a systematic review of the evidence for using processed EEG for this indication.Literature was available for many of the processed EEG systems now available, with most concerning the Bispectral Index (BIS) device. This equipment provides a numerical value indicative of extent of burst suppression, which correlates to burst suppression observed on standard EEG recordings. Multiple case reports and eight prospective studies report the use of BIS for optimisation of burst suppression in patients with status-epilepticus at the bedside. Further reports suggest the ability of processed EEG to detect the presence of non-convulsive status-epilepticus. Evidence also exists from prospective studies performed during electro-convulsive therapy, providing a predictable model for examining the utility of processed EEG interpretation. We conclude that processed EEG may be helpful in monitoring clinical response in the treatment of status epilepticus, however additional prospective studies are required to provide a robust evidence base.a.gimson@nhs.net

A handheld, spatially offset Raman spectroscopy (SORS) system was successfully used to obtain Surface‐enhanced Raman Scattering (SERS) spectra of fentanyl under simulated field conditions. A series of aqueous fentanyl solutions were prepared with commercially available gold nanoparticle solution, at concentrations ranging from 0.003 to 1697 μM. These SERS spectra were then used to generate two concentration calibration models (via a plot of peak area (1026 cm −1 ) versus concentration, and quantitative spectral decomposition using partial least squares (PLS1)). For both models, the relationship followed Langmuir adsorption and became non‐linear at concentrations above ~0.2 μM, with a limit of detection (LOD) of approximately 3 nM. The same technique was successfully used to measure fentanyl in the presence of two common “cutting agents,” heroin and glucose, at 1% and 2% fentanyl proportions (w/w). Fentanyl detection was successfully achieved, but mixture interference from the cutting agents prevented a calibration model being generated. Four fentanyl analogues were also investigated—butyrylfentanyl, furanylfentanyl, acetylfentanyl, and ocfentanyl. A concentration calibration model for each species was successfully generated, but differentiation from fentanyl proved more challenging, although several potential diagnostic peaks were identified. These results identified a pathway forward in using handheld equipment for the reliable detection of ultra‐low concentrations of fentanyl and fentanyl analogues via SERS, even when mixed with diluents. However, quantitative detection is negatively impacted in the presence of heroin and glucose. This also provides a starting point for a SERS‐based spectral library of fentanyl analogues, in combination with a range of different diluents.

ABSTRACTTo improve mechanical and thermal properties of a hexagonal boron nitride platelet filled polymer composites, maleic anhydride was studied as a coupling agent and compatibilizer. Injection molded blends of acrylonitrile butadiene styrene (ABS), high‐density polyethylene (HDPE), and maleic anhydride with boron nitride filler were tested for thermal conductivity and impact strength to determine whether adding maleic anhydride improved interfacial interactions between matrix and filler and between the polymers. Adding both HDPE and maleic anhydride to ABS as the matrix of the composite resulted in a 40% improvement in impact strength without a decrease in thermal conductivity when compared to an ABS matrix. The best combination of thermal conductivity and impact strength was using pure HDPE as the matrix material. The effective medium theory model is used to help explain how strong filler alignment helps achieve high thermal conductivity, greater than 5 W/m K for 60 wt % boron nitride. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 137, 48661.

The question of B–H–Mo hemilability in a range of dihydrobis(azolyl)borate scorpionate ligands is discussed with reference to η3-allyl complexes [Mo(η3-C3H5)(CO)2{H2B(az)2}] [az = pyrazolyl (pz), dimethylpyrazolyl (pz*), mercaptoimidazolyl (mt)].

Nitrogen-doped materials are known to possess unique functional properties, making these materials potentially useful for environmental applications, heterogeneous catalysis, and electronics. In this paper we constructed first principles-based models of various polyaromatic structures containing N functionalities to better understand the effect of these functional groups on char Raman spectra. The presence of N functional groups induces active vibrations in the regions between 1400 and 1550 cm(-1) and 1605-1650 cm(-1). We used these insights to inform the deconvolution of N-doped cellulose char produced between 350 and 700 degrees C using cellulose/melamine blends 2:1. A consistent increase in the intensity of the D and G bands is observed with temperature, which is related to an increase in size of the aromatic cluster. A consistent decrease in the A (the valley region) band is related to the loss of heteroatoms (mainly N and O) as the carbonization temperature increases from 350 to 700 degrees C. Although the modeling results reported in this manuscript are used to inform the deconvolution of N-doped char Raman spectra, they are also relevant to study other nanocarbon-based materials. (C) 2020 Elsevier Ltd. All rights reserved.

This work presents a lightweight electrically insulating composite material for high thermal conductivity: all polymer composites created by mixing ultra-high molecular weight polyethylene flakes into a matrix of low-density polyethylene or ethylene vinyl acetate. The ultra-high molecular weight polyethylene flakes have a reported thermal conductivity of 40 W m−1 K−1, and when 30 volume percent is compounded in an ethylene vinyl acetate matrix, the thermal conductivity is measured to be 2.5 W m−1 K−1 at 52 °C and the notched impact strength is 350 J/m. The temperature stability of the polyethylene flakes is investigated using polarized Raman spectrometry and thermal conductivity measurements, and it is discovered that flakes compounded at temperatures of 115 °C and above show a dramatic drop in thermal conductivity due to melting and reduced polymer chain alignment. This study highlights the possibility of using high-thermal-conductivity polymer fillers in bulk composites for near-room-temperature applications.

Quantifying the content of surface nitrogen and oxygen containing functional groups in amorphous nitrogen doped carbons via deconvolution of C 1s x-ray photoelectron (XPS) spectra remains difficult due to limited information in the literature. To improve the interpretation of XPS spectra of nitrogen-doped carbons, the C 1s, N 1s and O 1s core level energy shifts have been calculated for various nitrogenated carbon structures via DFT. Furthermore, we propose an expanded method to improve the self-consistency of the XPS interpretation based on a seven-peak C 1s deconvolution (3 C-C peaks, 3 C -N/-O peaks, and pi-pi* transition peaks). With the DFT calculations, spectral components arising from surface-defect carbons could be distinguished from aromatic sp(2) carbon. The deconvolution method proposed provides C/(N + O) ratios in very good agreement (error less than 5%) with those obtained from total C 1s, N 1s and O 1s peaks. Our deconvolution strategy provides a simple guideline for obtaining high-quality fits to experimental data on the basis of a careful evaluation of experimental conditions and results. (C) 2020 Elsevier Ltd. All rights reserved.

Newly developed high thermal conductivity polymer composite 3D printing filaments are used to characterize the thermal properties as a function of print orientation. The thermal conductivity of a printed part is anisotropic and varies by 2 6 times depending on the print direction - demonstrating higher conductivity in the deposition direction (in-plane) than in the two directions perpendicular to the deposition direction (cross-plane and through-plane). Therefore, deposition path planning greatly affects the overall heat dissipation rate and the performance of the heat sink. Traditionally, 3D printing slicers generate deposition paths based solely on geometric constraints. This work investigates a new approach of deposition path planning assisted by computational predictions of the heat sink thermal performance. The proposed approach uses a thermal simulation of a 3D-printed part, accounting for the anisotropic thermal properties, and the orientation of the local material properties are assigned based on the deposition path in multiple print orientations. The performances predicted via the simulations are compared, and the optimal deposition path is determined. For the highest thermal conductivity 3D printing filament (similar to 12 W/m-K in-plane), a heat sink printed with the print direction parallel to the fins z-axis had similar to 20% improved performance in comparison to a heat sink with print direction perpendicular to the fins z-axis. Moreover, a plastic 3D printed heat sink was able to perform within 7% of an extruded Aluminum heat sink with similar geometry under natural convection. The computational predictions show the same trend as experimental measurements using 3D printed heat sinks.

The sequential reaction of [Ru(C[triple bond, length as m-dash]CC[triple bond, length as m-dash]CH)Cl(CO)2(PPh3)2] with [Ru(CO)2(PPh3)3], and N-chlorosuccinimide affords the binuclear tetracarbido complex [Ru2(μ-C[triple bond, length as m-dash]CC[triple bond, length as m-dash]C)Cl2(CO)4(PPh3)4]. This may be compared with the first example of a butenyndiyl bridged bimetallic complex [Ru2(μ-CH[double bond, length as m-dash]CHC[triple bond, length as m-dash]C)Cl2(CO)4(PPh3)4] which is obtained from the reaction of [Ru(C[triple bond, length as m-dash]CC[triple bond, length as m-dash]CH)Cl(CO)2(PPh3)2] with [RuHCl(CO)(PPh3)3] followed by carbonylation. Characterisational data are discussed with reference to constituent model complexes [Ru(C[triple bond, length as m-dash]CH)Cl(CO)2(PPh3)2] and [Ru(CH[double bond, length as m-dash]CH2)Cl(CO)2(PPh3)2] in addition to DFT analysis of the bonding in the complexes [Ru2(μ-L)Cl2(CO)4(PMe3)4] (L = C[triple bond, length as m-dash]C-C[triple bond, length as m-dash]C, CH[double bond, length as m-dash]CHC[triple bond, length as m-dash]C, CH[double bond, length as m-dash]CH-CH[double bond, length as m-dash]CH). A range of other tetracarbido complexes which may be prepared from [RuCl(C[triple bond, length as m-dash]CC[triple bond, length as m-dash]CH)(CO)2(PPh3)2] is also described and includes [RuAu(μ-C4)Cl(CO)3(PPh3)3], [RuIr(μ-C4)Cl(CO)3(PPh3)4], [RuIr(μ-C4)H(NCMe)(CO)3(PPh3)4]BF4, [RuIr(μ-C4)Cl(η2-O2)(CO)3(PPh3)4], [Ru2Hg(μ-C4)2Cl2(CO)4(PPh3)4], [Ru2Pt(μ-C4)2Cl2(CO)4(PPh3)6] and [Ru2(μ-C4)HCl(CO)4(PPh3)4].

The reactions of [M(η3-C3H5)Br(CO)2(NCMe)2] (M = Mo, W) or [Mo(η3-C3H5)Br(CO)2(PMe2Ph)2] with Na[H2B(mt)2] (mt = methimazolyl) affords the complexes [M(η3-C3H5)(CO)2{κ3-H,S,S'-H2B(mt)2}], the 3-centre, 2-electron B-H-M interaction of which was found to be inert with respect to opening under mild conditions, while more forcing conditions (heating with PMe2Ph) resulted in cleavage of the entire allyl and borate ligands to form [Mo(CO)3(PMe2Ph)3]. In contrast, the reaction of [Mo(η3-C3H5)Br(CO)2(NCMe)2] with Na[H2B(pz)2] affords either [Mo(η3-C3H5)(CO)2{κ3-H,N,N'-H2B(pz)2}] or (more likely) [Mo(η3-C3H5)(CO)2(NCMe){κ2-N,N'-H2B(pz)2}] which in turn reacts with phosphines to provide [[Mo(η3-C3H5)(CO)2(PPhR2){κ2-N,N'-H2B(pz)2}] (R = Me, Ph). The reactions discussed indicate the propensity for 3-centre, 2-electron B-H-Mo interactions increases in the order H2B(pz)2 < H2B(pz*)2 < H2B(mt)2 (pz* = 3,5-dimethypyrazolyl).

An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Two-phase, refrigerant-based cooling offers significant promise for increasing heat densities and energy efficiencies of electronic components. One barrier to wide spread adoption of two-phase cooling solutions is preserving product features deemed essential for product functionality. An important feature present in a wide range of product applications, particularly within the telecommunications area, is allowing a circuit pack card to be removed and re-inserted within an operating equipment shelf without interruption of the shelf function and without undue requirements on end-user skill or time. This feature is often referred to as "hot-swappability" or "plug-and-play capability", and is readily accommodated with air-cooling approaches, where the circuit pack card is effectively immersed in the air cooling medium. Two-phase cooling solutions to be used for these applications must therefore possess this essential " hot swappability" feature for widespread commercial adoption. This paper presents the details of a hybrid (air-and two-phase) cooling solution which incorporates a two-phase, refrigerant-cooled cold plate (evaporator) located at the rear of an equipment shelf and placed between the electrical backplane and circuit pack cards that slide into the shelf. The heat from the circuit pack components is transferred to the cold plate via a highlyconductive heat transfer element comprising, for example, either a heat pipe or a vapor chamber. Thermal interface materials facilitate efficient heat transfer at the interfaces between the heat-generating component and the highlyconductive heat transfer element, and the highly-conductive heat transfer element and the cold plate, respectively. Moreover, to ensure " hot swappability", a mechanicallycompliant (compressible) thermal interface material that maintains low thermal resistance under low applied force after multiple mate and de-mate cycles, is required. Details of the experimental apparatuses adopted in this study for evaluating the performance of the thermal interface materials as a function of applied pressure and the performance of the highly-conductive heat transfer elements as a function of imposed heat load and operating temperature are presented. Test results are reported for a range of suitable candidate thermal interface materials and heat pipe and vapor chamber assemblies. Finally, estimates are also provided for the overall heat removal capability of this approach given typical maximum component case temperature specifications, measured thermal interface material properties and contact areas, as well as highly-conductive heat transfer element properties and cold plate surface temperatures.