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Abstract We here introduce the Aquamarine (AQM) dataset, an extensive quantum-mechanical (QM) dataset that contains the structural and electronic information of 59,783 low-and high-energy conformers of 1,653 molecules with a total number of atoms ranging from 2 to 92 (mean: 50.9), and containing up to 54 (mean: 28.2) non-hydrogen atoms. To gain insights into the solvent effects as well as collective dispersion interactions for drug-like molecules, we have performed QM calculations supplemented with a treatment of many-body dispersion (MBD) interactions of structures and properties in the gas phase and implicit water. Thus, AQM contains over 40 global and local physicochemical properties (including ground-state and response properties) per conformer computed at the tightly converged PBE0+MBD level of theory for gas-phase molecules, whereas PBE0+MBD with the modified Poisson-Boltzmann (MPB) model of water was used for solvated molecules. By addressing both molecule-solvent and dispersion interactions, AQM dataset can serve as a challenging benchmark for state-of-the-art machine learning methods for property modeling and de novo generation of large (solvated) molecules with pharmaceutical and biological relevance.

Microalgae have rigid, complex cell walls hindering direct lipid extraction. Cell disruption techniques are used to rupture these cellular structures to increase lipid extraction. Researchers investigating the downstream processing of microalgae do not always have access to microalgal cultivation systems to generate large amounts of fresh microalgal biomass. Using resuspended freeze-dried microalgal biomass as a model laboratory system for concentrated fresh biomass during cell disruption experiments offers greater flexibility in experimental planning and omits investment costs of microalgal cultivation equipment. So far, it however remains unclear whether freeze-dried resuspended biomass can be used as a model laboratory system to represent concentrated fresh biomass during cell disruption and lipid extraction experiments. This paper thus evaluated the suitability of resuspended freeze-dried Nannochloropsis as a model laboratory system for concentrated fresh Nannochloropsis during cell disruption. Ultrasound assisted cell disruption was used as example cell disruption technique and lipid extraction efficiency and free fatty acid content were investigated. Tap water and 3% sodium chloride are both suitable resuspension media for the resuspension of freeze-dried Nannochloropsis. Resuspension duration should be limited (< 120 min) to prevent the formation of free fatty acids. The condition of the biomass (concentrated fresh, or resuspended freeze-dried) prior to ultrasound assisted cell disruption did not influence the resulting lipid extraction efficiency. Resuspended freeze-dried Nannochloropsis biomass in tap water or 3% sodium chloride can thus be used as a model laboratory system for fresh microalgal biomass during research on ultrasound assisted lipid extraction. The generalization of the results to other cultivation conditions, cell disruption techniques, components of interest or microalgal species should be carefully assessed.

The authors demonstrate a multi-dimensional communication scheme that combines wavelength- and mode- multiplexing on photonic integrated circuits using foundry-compatible photonic inverse design and spectrally flattened microcombs

Here, three-dimensional hafnium oxide and two-dimensional hexagonal boron nitride are integrated in the insulating section of double-layer graphene optical modulators, leading to a maximum bandwidth of 39 GHz and enhanced modulation efficiency.

Integration of photonic circuits with single photon emitters provides a promising route towards scalable quantum photonic chips. Here, the authors integrate a WSe2 monolayer onto a SiN chip and demonstrate the coupling of single photon emitters in WSe2 with the guided mode of a SiN waveguide.

Current diamond quantum optics experiments are restricted to single devices and few quantum emitters due to fabrication constraints. Here, the authors utilize inverse design to overcome constraints of diamond nanofabrication methods and fabricate compact and robust diamond devices with unique specifications.

Active devices such as modulators made of silicon nitride still lack performance. Here, the authors demonstrate electro-optic modulators based on ferroelectric lead zirconate titanate films on silicon nitride, in both the O- and the C-band with a modulation bandwidth beyond 33 GHz and with data rates of 40 Gbps.

Since black soldier fly larvae (BSFL, Hermetia illucens) are being produced at substantial volumes, concomitantly large amounts of the resulting by-product, called frass, are generated. This frass can potentially be applied as valuable plant fertilizer or soil improver. Since frass carries high microbial counts, potentially including foodborne pathogens, safety problems for consumers should be prevented. A heat treatment of 70 °C for 60 min is proposed to reduce harmful organisms in insect frass, based on EU regulations ((EU) No. 2021/1925). This study evaluated for the first time the impact of the proposed heat treatment on BSFL frass. This was done by applying the treatment on uninoculated frass as well as on frass inoculated with Salmonella or Clostridium perfringens at 5.0 log cfu/g. The heat treatment resulted in a reduction (maximum one log-cycle) of total viable counts and did not noticeably reduce bacterial endospores. In contrast, Enterobacteriaceae counts were reduced to below the detection limit (10 cfu/g). Heat treatment of inoculated frass resulted in absence of Salmonella in 25 g of frass and reduction of vegetative C. perfringens to below the detection limit (1 cfu/g). The proposed heat treatment appears to be appropriate to meet the microbiological regulations for insect frass.

Black soldier fly larvae (Hermetia illucens) are currently reared at an industrial scale, mainly as a feed ingredient. The logistic chain not only involves the production of larvae, but also stabilisation, storage, and transport. The aim of this work was to study fermentation and vacuum packaging of larvae as potential preservation technologies. For fermentation, blanched larvae were pulverised into a paste, and a starter culture, NaCl, and glucose were added. The mixture was fermented for 7 days at 35 °C and then stored for 14 days at 4 °C and pH and microbial counts were monitored. Vacuum packaging was applied to living, blanched and frozen larvae. After packaging, they were stored for 6–10 days at several temperatures and gas composition, survival (living larvae) and microbial counts (killed larvae) were recorded. Fermentation allows storage of pulverised larvae, but points to consider are a rapid pH reduction and the presence of bacterial endospores. Vacuum packaging did not bring added value over cooling alone. This was the case for all types of larvae investigated. Vacuum packaging is not considered as a valuable preservation technology to pursue for storage and transport of black soldier fly larvae.

The pro-inflammatory cytokine thymic stromal lymphopoietin (TSLP) is a promising therapeutic target. Here the authors characterize the assembly mechanism of the receptor complex driven by human TSLP, and its antagonism by the monoclonal antibody Tezepelumab and a fusion protein comprising the TSLP receptors.

Glycolytic regulator PFKFB3 is a key player in vessel sprouting. Here the authors develop a computational model predicting that PFKFB3 drives endothelial cell rearrangement during vessel sprouting by promoting filopodia formation and reducing intercellular adhesion, and empirically validate this prediction.

BACKGROUND:Bovine Taenia saginata cysticercus infections (also called bovine cysticercosis or beef measles) is usually diagnosed in cattle only during post-mortem meat inspection. The aim of this study was to investigate the identification rates of these infections in and to identify predictors/determinants of variations in the identification rates in abattoirs in Gauteng province, South Africa. METHODS:Retrospective data for over 1.4 million cattle carcasses inspected in 26 abattoirs between January 2010 and December 2013 were used for the study. The identification rates (proportion of bovine Taenia saginata cysticercus positive carcasses) were computed and generalized estimating equations used to identify predictors/determinants of identification rates. RESULTS:The overall identification rate was 0.70% (95% CI: 0.45, 0.95). Significantly (p< 0.05) lower rates were reported during summer (0.55%) than other seasons. Some geographic areas reported significantly (p0.05) association was identified between identification rates and either the number of meat inspectors per abattoir or the provider of inspection services. CONCLUSION:Although no significant association was found between identification rates and provider of inspection services, follow-up studies will need to be done to specifically investigate the potential conflict of interest arising from the fact that abattoir owners hire meat inspection services directly. Capture of abattoir surveillance data needs to include farm address and for each case to be reported separately. Finally, information on the type of identified cysts (alive or calcified) need to be collected to help better estimate risk to consumers. This study provides useful baseline data to guide future studies, surveillance and control efforts.

Sugarcane interacts with particular types of beneficial nitrogen-fixing bacteria that provide fixed-nitrogen and plant growth hormones to host plants, promoting an increase in plant biomass. Other benefits, as enhanced tolerance to abiotic stresses have been reported to some diazotrophs. Here we aim to study the effects of the association between the diazotroph Gluconacetobacter diazotrophicus PAL5 and sugarcane cv. SP70-1143 during water depletion by characterizing differential transcriptome profiles of sugarcane. RNA-seq libraries were generated from roots and shoots of sugarcane plants free of endophytes that were inoculated with G. diazotrophicus and subjected to water depletion for 3 days. A sugarcane reference transcriptome was constructed and used for the identification of differentially expressed transcripts. The differential profile of non-inoculated SP70-1143 suggests that it responds to water deficit stress by the activation of drought-responsive markers and hormone pathways, as ABA and Ethylene. qRT-PCR revealed that root samples had higher levels of G. diazotrophicus 3 days after water deficit, compared to roots of inoculated plants watered normally. With prolonged drought only inoculated plants survived, indicating that SP70-1143 plants colonized with G. diazotrophicus become more tolerant to drought stress than non-inoculated plants. Strengthening this hypothesis, several gene expression responses to drought were inactivated or regulated in an opposite manner, especially in roots, when plants were colonized by the bacteria. The data suggests that colonized roots would not be suffering from stress in the same way as non-inoculated plants. On the other hand, shoots specifically activate ABA-dependent signaling genes, which could act as key elements in the drought resistance conferred by G. diazotrophicus to SP70-1143. This work reports for the first time the involvement of G. diazotrophicus in the promotion of drought-tolerance to sugarcane cv. SP70-1143, and it describes the initial molecular events that may trigger the increased drought tolerance in the host plant.

The century-old study of photon–phonon coupling has seen a remarkable revival in the past decade. Driven by early observations of dynamical back-action, the field progressed to ground-state cooling and the counting of individual phonons. A recent branch investigates the potential of traveling-wave, optically broadband photon–phonon interaction in silicon circuits. Here, we report continuous-wave Brillouin gain exceeding the optical losses in a series of suspended silicon beams, a step towards selective on-chip amplifiers. We obtain efficiencies up to ${10}^{4}\;{{\rm{W}}}^{-1}\;{{\rm{m}}}^{-1},$ the highest to date in the phononic gigahertz range. We also find indications that geometric disorder poses a significant challenge towards nanoscale phonon-based technologies.