New opportunities for the exploitation of energy crops by thermochemical conversion in Northern Europe and the UK

Currently, significant academic and industrial activity is focused on sourcing feed stocks from non-food biomass crops for the sustainable production of energy, power and chemical products. Crops identified as suitable for Northern Europe include Miscanthus, switchgrass (Panicum virgatum), reed canary grass (Phalaris arundinacea) and short rotation coppice willow and poplar (Salix and Populus spp.). All of these crops provide biomass that is amenable for conversion by thermochemical processes i.e. those based on heat and pressure. There are concerns that for some processes the conversion efficiency of biomass is poor compared with coal and oil due to comparatively low energy density, high moisture content, and poor storage and handling properties. Many of these parameters can be improved by pre-processing feed stock materials prior to their conversion. We examine the energy crop species that are suitable for Northern Europe; discuss the processes of combustion, gasification and pyrolysis, and explore how differences in chemical composition influence conversion efficiency. Finally, we review biomass upgrading (pelletisation, torrefaction and treatment with sub-critical (hydrothermal upgrading) and with supercritical water).     

Energy and carbon payback times for solid oxide fuel cell based domestic CHP

Fuel cells already provide heat and power to people’s homes with lower direct CO₂ emissions and fuel consumption than traditional methods. However, their whole life cycle, including manufacture and disposal, must be considered to verify that these environmental impacts are actually reduced and not merely shifted elsewhere. The total carbon footprint and energy payback times have been widely reported for other emerging microgeneration technologies, but have not previously been calculated for fuel cell systems.     

Designing solution-processable air-stable liquid crystalline crosslinkable semiconductors

Organic electronics technology, in which at least the semiconducting component of the integrated circuit is an organic material, offers the potential for fabrication of electronic products by low-cost printing technologies, such as ink jet, gravure offset lithography and flexography. The products will typically be of lower performance than those using the present state of the art single crystal or polysilicon transistors, but comparable to amorphous silicon. A range of prototypes are under development, including rollable electrophoretic displays, active matrix liquid crystal (LC) displays, flexible organic light emitting diode displays, low frequency radio frequency identification tag and other low performance electronics. Organic semiconductors that offer both electrical performance and stability with respect to storage and operation under ambient conditions are required. This work describes the development of reactive mesogen semiconductors, which form large crosslinked LC domains on polymerization within mesophases. These crosslinked domains offer mechanical stability and are inert to solvent exposure in further processing steps. Reactive mesogens containing conjugated aromatic cores, designed to facilitate charge transport and provide good oxidative stability, were prepared and their liquid crystalline properties evaluated. The organization and alignment of the mesogens, both before and after crosslinking, were probed by grazing incidence wide-angle X-ray scattering of thin films. Both time-of-flight and field effect transistor devices were prepared and their electrical characterization reported.     

Structural characterization of drug-like compounds by ion mobility mass spectrometry: comparison of theoretical and experimentally derived nitrogen collision cross sections

We present the use of drug-like molecules as a traveling wave (T-wave) ion mobility (IM) calibration sample set, covering the m/z range of 122.1-609.3, the nitrogen collision cross-section (Ω(N(2))) range of 124.5-254.3 ?(2) and the helium collision cross-section (Ω(He)) range of 63.0-178.8 ?(2). Absolute Ω(N(2)) and Ω(He) values for the drug-like calibrants and two diastereomers were measured using a drift-tube instrument with radio frequency (RF) ion confinement. T-wave drift-times for the protonated diastereomers betamethasone and dexamethasone are reproducibly different. Calibration of these drift-times yields T-wave Ω(N(2)) values of 189.4 and 190.4 ?(2), respectively. These results demonstrate the ability of T-wave IM spectrometry to differentiate diastereomers differing in Ω(N(2)) value by only 1 ?(2), even though the resolution of these IM experiments were ～40 (Ω/ΔΩ). Demonstrated through density functional theory optimized geometries and ionic electrostatic surface potential analysis, the small but measurable mobility difference between the two diastereomers is mainly due to short-range van der Waals interactions with the neutral buffer gas and not long-range charge-induced dipole interactions. The experimental RF-confining drift-tube and T-wave Ω(N(2)) values were also evaluated using a nitrogen based trajectory method, optimized for T-wave operating temperature and pressures, incorporating additional scaling factors to the Lennard-Jones potentials. Experimental Ω(He) values were also compared to the original and optimized helium based trajectory methods.     

The cost of domestic fuel cell micro-CHP systems

Numerous academic and industrial estimates place the cost of future mass-produced small stationary fuel cell systems at around $1000 per kW, which compares well with targets set by agencies such as the US Department of Energy. Actual sale prices do not fit so neatly with these targets, and are currently 25–50 times higher even though mass production began three years ago.     

N‐Benzyl Substitution of Polyhydroxypyrrolidines: The Way to Selective Inhibitors of Golgi α‐Mannosidase II

Inhibition of the biosynthesis of complex N‐glycans in the Golgi apparatus influences progress of tumor growth and metastasis. Golgi α‐mannosidase II (GMII) has become a therapeutic target for drugs with anticancer activities. One critical task for successful application of GMII drugs in medical treatments is to decrease their unwanted co‐inhibition of lysosomal α‐mannosidase (LMan), a weakness of all known potent GMII inhibitors. A series of novel N‐substituted polyhydroxypyrrolidines was synthesized and tested with modeled GH38 α‐mannosidases from Drosophila melanogaster (GMIIb and LManII). The most potent structures inhibited GMIIb (K_i=50–76 μm , as determined by enzyme assays) with a significant selectivity index of IC₅₀(LManII)/IC₅₀(GMIIb) >100. These compounds also showed inhibitory activities in in vitro assays with cancer cell lines (leukemia, IC₅₀=92–200 μm ) and low cytotoxic activities in normal fibroblast cell lines (IC₅₀>200 μm ). In addition, they did not show any significant inhibitory activity toward GH47 Aspergillus saitoiα1,2‐mannosidase. An appropriate stereo configuration of hydroxymethyl and benzyl functional groups on the pyrrolidine ring of the inhibitor may lead to an inhibitor with the required selectivity for the active site of a target α‐mannosidase.     

The Discovery of Potent Nonstructural Protein 5A (NS5A) Inhibitors with a Unique Resistance Profile—Part 2

In ongoing studies towards novel hepatitis C virus (HCV) therapeutics, inhibitors of nonstructural protein 5A (NS5A) were evaluated. Specifically, starting from previously reported lead compounds, peripheral substitution patterns of a series of biaryl‐linked pyrrolidine NS5A replication complex inhibitors were probed and structure–activity relationships were elucidated. Using molecular modelling and a supercritical fluid chromatographic (SFC) technique, intramolecular H‐bonding and peripheral functional group topology were evaluated as key determinants of activity and membrane permeability. The novel compounds exhibited retained potency as compared with the lead compounds, and also showed promising results against a panel of resistance viruses. Together, the results of the study take us a step closer towards understanding the potency of daclatasvir, a clinical candidate upon which the compounds were based, and to designing improved analogues as second‐generation antiviral agents targeting NS5A.