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The ability for nuclear magnetic resonance (NMR) spectroscopy to provide quantitative, structurally rich information makes this spectroscopic technique an attractive reaction monitoring tool. The practicality of NMR for this type of analysis has only increased in the recent years with the influx of commercially available benchtop NMR instruments and compatible flow systems. In this study, we aim to compare 19F NMR reaction profiles acquired under both on‐line continuous‐flow and stopped‐flow sampling methods, with modern benchtop NMR instrumentation, and two reaction systems: a homogeneous imination reaction and a biphasic activation of a carboxylic acid to acyl fluoride. Reaction trends with higher data density can be acquired with on‐line continuous‐flow analyses, and this work highlights that representative reaction trends can be acquired without any correction when monitoring resonances with a shorter spin–lattice relaxation time (T1), and with the used flow conditions. On‐line stopped‐flow analyses resulted in representative reaction trends in all cases, including the monitoring of resonances with a long T1, without the need of any correction factors. The benefit of easier data analysis, however, comes with the cost of time, as the fresh reaction solution must be flowed into the NMR system, halted, and time must be provided for spins to become polarized in the instrument's external magnetic field prior to spectral measurement. Results for one of the reactions were additionally compared with the use of a high‐field NMR. [ABSTRACT FROM AUTHOR]

Background: Hospice patients with dementia are at increased risk for live discharge and long lengths of stay (>180 days), causing patient and family caregiver stress and burden. The location and timing of clinician visits are important factors influencing whether someone dies as expected, in hospice, or experiences a live discharge or long length of stay. Objective: Examine how home hospice and nurse visit frequency relate to dying in hospice within the Medicare‐intended 6‐month period. Design: Retrospective cohort study. Setting: Non‐profit hospice agency. Participants: Three thousand eight hundred and thirty seven patients with dementia who received hospice services from 2013 to 2017. Methods: Multivariable survival analyses examined the effects of receiving home hospice (vs. nursing home) and timing of nurse visits on death within 6 months of hospice enrollment, compared to live discharge or long length of stay. Models adjust for relevant demographic and clinical factors. Results: Thirty‐nine percent (39%) of patients experienced live discharge or long length of stay. Home hospice patients were more likely to experience live discharge or long length of stays (HR for death: 0.77, 95%CI: 0.69–0.86, p < 0.001). Frequency of nurse visits was inversely associated with live discharge and long lengths of stay (HR for death: 2.87, 95%CI: 2.47–3.33, p < 0.001). Conclusion: Nearly 40% of patients with dementia in our study experienced live discharge or a long length of stay. Additional research is needed to understand why home hospice may result in live discharge or a long length of stay for patients with dementia. Nurse visits were associated with death, suggesting their responsiveness to deteriorating patient health. Hospice guidelines may need to permit longer stays so community‐dwelling patients with dementia, a growing segment of hospice patients, can remain continuously enrolled in hospice and avoid burden and costs associated with live discharge. See related editorial by Hunt et al. in this issue. [ABSTRACT FROM AUTHOR]

OBJECTIVES: The end‐of‐life trajectory for persons with dementia is often protracted and difficult to predict, placing these individuals at heightened risk of live discharge from hospice. Risks for live discharge due to condition stabilization or failure to decline among patients with dementia are not well established. Our aim was to identify demographic, health, and hospice service factors associated with live discharge due to condition stabilization or failure to decline among hospice patients with dementia. DESIGN: Retrospective cohort study. SETTING: A large not‐for‐profit agency in New York City. PARTICIPANTS: A total of 2629 hospice patients with dementia age 65 years and older. MEASUREMENTS: Primary outcome was live discharge from hospice due to condition stabilization or failure to decline (vs death). Measures include demographic factors (race/ethnicity, Medicaid, sex, age, marital status, parental status), health characteristics (primary dementia diagnosis, comorbidities, functional status, prior hospitalization), and hospice service (location, length of service, number and timing of nurse visits). RESULTS: Logistic regression models indicated that compared with white hospice patients with dementia, African American and Hispanic hospice patients with dementia experienced increased risk of live discharge (African American: adjusted odds ratio [aOR] = 2.42; 95% confidence interval [CI] = 1.34‐4.38; Hispanic: aOR = 2.99; 95% CI = 1.81‐4.94). Home hospice (aOR = 7.57; 95% CI = 4.04‐14.18), longer length of service (aOR = 1.04; 95% CI = 1.04‐1.05), and more days between nurse visits and discharge (aOR = 1.86; 95% CI = 1.56‐2.21) were also associated with live discharge. CONCLUSION: To avoid burdensome and disruptive transitions out of hospice in patients with dementia, interventions to reduce live discharge due to condition stabilization or failure to decline should be tailored to meet the needs of African American, Hispanic, and home hospice patients. Policies regarding sustained hospice eligibility should account for the variable and protracted end‐of‐life trajectory of patients with dementia. J Am Geriatr Soc 68:551–558, 2020 [ABSTRACT FROM AUTHOR]

Although a comprehensive understanding of soil systems is needed to sustain soil functioning, our scientific knowledge of the underlying processes, for example, on the impact of earthworm activity on bulk density, is still limited. Using meta‐analysis, we quantified earthworm effects on bulk density and investigated the influence of driving factors. Earthworm effect sizes were species‐specific and depended on soil texture and earthworm body mass. Effect sizes were not unambiguously dependent on ecological groups, land use, experimental duration, abundance or initial bulk density. The paucity of data did not allow testing of interactive influences through meta‐analysis. Consequently, this study reveals important knowledge gaps in our understanding of earthworm effects on bulk density. Comparative studies taking the soil's complexity into account are still highly necessary to further our understanding of biotic interactions with soil‐structure dynamics. Highlights: The effects of earthworms on bulk density were evaluated by meta‐analysis.Earthworm effects are species‐specific and depend on soil texture and earthworm body mass.Effects do not unambiguously depend on land use, duration, abundance and initial bulk density.Knowledge gaps regarding species, soil characteristics and interactive effects are identified. [ABSTRACT FROM AUTHOR]

Purpose: To describe the effect of radiation therapy on intraocular pressure in patients who have had orbital radiation for Graves' orbitopathy, and to provide a descriptive analysis of these patients. Design: Retrospective case series. Participants: 24 consecutive patients referred for orbital radiation therapy for Graves' orbitopathy from December 1st, 2001 through July 31st, 2009. Intervention: Patients received a total of 2000 cGy fractionated over 10 days. Main Outcome Measures: Medical records were reviewed for: demographics, tobacco history, ocular history, history related to Graves' disease, medications, visual field tests, retinopathy, and physical exam findings. The two-tailed Student's t-test was used to determine statistically significant differences in intraocular pressure before radiation therapy and 0-3 (T1), 4-6 (T2), 7-12 (T3), and 13-18 (T4) months following radiation therapy. Results: 34 eyes were available for analysis. There was no correlation between intraocular pressure and SPECS scores. Mean intraocular pressure prior to radiation therapy was 18.15 ± 3.83 mm Hg. Patients who had orbital decompression, eye muscle surgery, or glaucoma were excluded from the final analysis. There were 7, 11, 14, and 11 eyes with data at times T1, T2, T3, and T4 following radiation therapy, respectively. There was a significant decrease in mean intraocular pressure at T2, T3 and T4 of 26.00% ± 9.25%, 11.75% ± 27.58%, and 16.72% ± 13.94%, respectively. Conclusions: There was a significant drop in mean intraocular pressure between 4 and 18 months after radiation therapy in our patient population. The mechanism by which this decrease in intraocular pressure occurs is not understood. [ABSTRACT FROM AUTHOR]

Soil fauna plays an essential role in agricultural productivity as it mediates nutrient cycling and soil organic matter dynamics, alters soil physicochemical properties and supports plant growth. Nitrogen fertilization may have a positive or negative influence on soil fauna in a manner that alters ecosystem functioning, but these links have not yet been quantified. We present the results of a global meta-analysis of available literature data on the effects of N fertilization on taxonomic and ecological groups of soil fauna. Our results show that organic N fertilization increases the density of springtails, mites and earthworms, as well as the biomass of earthworms compared to when no fertilizer is applied. The meta-analysis for different nematode feeding groups and ecological categories of springtails and earthworms as well as different mite orders showed that organic fertilization has an overall positive effect on most groups as opposed to inorganic fertilization, which has neutral or negative effects on most groups, alone or in combination with organic fertilizers. Additional meta-analyses showed that the effects of N fertilization on soil fauna depend on the N application rate, on soil texture and on climatic conditions. Our findings suggest that the adoption of less intense farming practices such as organic fertilization combined with site-specific N fertilization regimes is a suitable strategy for protecting and enhancing functional communities of soil fauna. [ABSTRACT FROM AUTHOR]

Soil fauna drives crucial processes of energy and nutrient cycling in agricultural systems, and influences the quality of crops and pest incidence. Soil tillage is the most influential agricultural manipulation of soil structure, and has a profound influence on soil biology and its provision of ecosystem services. The objective of this study was to quantify through meta‐analyses the effects of reducing tillage intensity on density and diversity of soil micro‐ and mesofaunal communities, and how these effects vary among different pedoclimatic conditions and interact with concurrent management practices. We present the results of a global meta‐analysis of available literature data on the effects of different tillage intensities on taxonomic and functional groups of soil micro‐ and mesofauna. We collected paired observations (conventional vs. reduced forms of tillage/no‐tillage) from 133 studies across 33 countries. Our results show that reduced tillage intensity or no‐tillage increases the total density of springtails (+35%), mites (+23%), and enchytraeids (+37%) compared to more intense tillage methods. The meta‐analyses for different nematode feeding groups, life‐forms of springtails, and taxonomic mite groups showed higher densities under reduced forms of tillage compared to conventional tillage on omnivorous nematodes (+53%), epedaphic (+81%) and hemiedaphic (+84%) springtails, oribatid (+43%) and mesostigmatid (+57%) mites. Furthermore, the effects of reduced forms of tillage on soil micro‐ and mesofauna varied with depth, climate and soil texture, as well as with tillage method, tillage frequency, concurrent fertilisation, and herbicide application. Our findings suggest that reducing tillage intensity can have positive effects on the density of micro‐ and mesofaunal communities in areas subjected to long‐term intensive cultivation practices. Our results will be useful to support decision making on the management of soil faunal communities and will facilitate modelling efforts of soil biology in global agroecosystems. HIGHLIGHTS: Global meta‐analysis to estimate the effect of reducing tillage intensity on micro‐ and mesofaunaReduced tillage or no‐tillage has positive effects on springtail, mite and enchytraeid densityEffects vary among nematode feeding groups, springtail life forms and mite subordersEffects vary with texture, climate and depth and depend on the tillage method and frequency [ABSTRACT FROM AUTHOR]

At the coal‐mining site 'Chicken Creek' (Spremberg, Germany), primary succession of the soil tardigrade community was investigated over a period of 4 years after initial soil deposition in 2005. During the first 2 years of succession, tardigrades occurred only sporadically and in very small numbers. In October 2007, algal‐feeding Apodibius confusus first appeared at the site with small‐scale mass densities of up to 2281 individuals in only 10 cm2 of top soil. A. confusus from then on dominated the soils (98% of overall tardigrade counts). From October 2007 to May 2009, its distribution changed from patchy to homogenously and its mean densities gradually increased to 328.7 thousand tardigrades m−2. In May 2009, A. confusus was present in 100% of the samples, while at the same time, new tardigrade species became established, the second frequent species being Hexapodibius cf. micronyx (3% of overall counts). With A. confusus and H. cf. micronyx, two tardigrades with reduced claws inhabit the 'Chicken Creek' sites: complete lack of claws in the genus Apodibius and 4th pair of claws missing in the genus Hexapodibius. The use of claws in the pore system of coarse soil substrates and the necessity to clarify the position of Apodibius and Hexapodibius in the system of Tardigrada is discussed. At the moment, we intend to culture A. confusus to observe its locomotion and to provide life history data and alternative food sources of the species. [ABSTRACT FROM AUTHOR]

At the coal-mining site 'Chicken Creek' (Spremberg, Germany), primary succession of the soil tardigrade community was investigated over a period of 4 years after initial soil deposition in 2005. During the first 2 years of succession, tardigrades occurred only sporadically and in very small numbers. In October 2007, algal-feeding Apodibius confusus first appeared at the site with small-scale mass densities of up to 2281 individuals in only 10 cm of top soil. A. confusus from then on dominated the soils (98% of overall tardigrade counts). From October 2007 to May 2009, its distribution changed from patchy to homogenously and its mean densities gradually increased to 328.7 thousand tardigrades m. In May 2009, A. confusus was present in 100% of the samples, while at the same time, new tardigrade species became established, the second frequent species being Hexapodibius cf. micronyx (3% of overall counts). With A. confusus and H. cf. micronyx, two tardigrades with reduced claws inhabit the 'Chicken Creek' sites: complete lack of claws in the genus Apodibius and 4th pair of claws missing in the genus Hexapodibius. The use of claws in the pore system of coarse soil substrates and the necessity to clarify the position of Apodibius and Hexapodibius in the system of Tardigrada is discussed. At the moment, we intend to culture A. confusus to observe its locomotion and to provide life history data and alternative food sources of the species. [ABSTRACT FROM AUTHOR]

Data compression at its base is concerned with how information is organized in data. Understanding this organization can lead to efficient ways of representing the information and hence data compression. In this paper we review the ways in which ideas and approaches fundamental to the theory and practice of data compression have been used in the area of bioinformatics. We look at how basic theoretical ideas from data compression, such as the notions of entropy, mutual information, and complexity have been used for analyzing biological sequences in order to discover hidden patterns, infer phylogenetic relationships between organisms and study viral populations. Finally, we look at how inferred grammars for biological sequences have been used to uncover structure in biological sequences. [ABSTRACT FROM AUTHOR]

Background: We propose a sequence clustering algorithm and compare the partition quality and execution time of the proposed algorithm with those of a popular existing algorithm. The proposed clustering algorithm uses a grammar-based distance metric to determine partitioning for a set of biological sequences. The algorithm performs clustering in which new sequences are compared with cluster-representative sequences to determine membership. If comparison fails to identify a suitable cluster, a new cluster is created. Results: The performance of the proposed algorithm is validated via comparison to the popular DNA/RNA sequence clustering approach, CD-HIT-EST, and to the recently developed algorithm, UCLUST, using two different sets of 16S rDNA sequences from 2,255 genera. The proposed algorithm maintains a comparable CPU execution time with that of CD-HIT-EST which is much slower than UCLUST, and has successfully generated clusters with higher statistical accuracy than both CD-HIT-EST and UCLUST. The validation results are especially striking for large datasets. Conclusions: We introduce a fast and accurate clustering algorithm that relies on a grammar-based sequence distance. Its statistical clustering quality is validated by clustering large datasets containing 16S rDNA sequences. [ABSTRACT FROM AUTHOR]

Background: We propose a multiple sequence alignment (MSA) algorithm and compare the alignment-quality and execution-time of the proposed algorithm with that of existing algorithms. The proposed progressive alignment algorithm uses a grammar-based distance metric to determine the order in which biological sequences are to be pairwise aligned. The progressive alignment occurs via pairwise aligning new sequences with an ensemble of the sequences previously aligned. Results: The performance of the proposed algorithm is validated via comparison to popular progressive multiple alignment approaches, ClustalW and T-Coffee, and to the more recently developed algorithms MAFFT, MUSCLE, Kalign, and PSAlign using the BAliBASE 3.0 database of amino acid alignment files and a set of longer sequences generated by Rose software. The proposed algorithm has successfully built multiple alignments comparable to other programs with significant improvements in running time. The results are especially striking for large datasets. Conclusion: We introduce a computationally efficient progressive alignment algorithm using a grammar based sequence distance particularly useful in aligning large datasets. [ABSTRACT FROM AUTHOR]

Summary: Soil collembola in floodplain habitats are known to react dynamically to inundation, showing direct negative effects of inundation as well as rapid regeneration after flooding. Unknown, however, are how these communities react to variable inundation and the role that spatial and temporal habitat heterogeneity plays. Therefore, the small-scale spatio-temporal dynamics of soil collembolan communities after varying inundation were studied in floodplain habitats in the Upper Rhine Valley in Germany. After frequent flooding, significant differences in density and species richness were found between different floodplain levels of the same location. Due to different species’ responses, major differences occurred in community structure. After infrequent inundation the densities and species richness of the same sites and especially hygrophilous components decreased dramatically. Between neighbouring sites, species exchange occurred and community structures became more similar. The results show that at the same locality soil collembola react dynamically as well as differentially to changes in the hydrological regime. Small-scale landscape heterogeneity allows a mixture of differentially reacting species to occur within the same regional metacommunity. Long-term stability of collembolan communities despite the high spatio-temporal heterogeneity of floodplains is thus maintained by metacommunity dynamics. [Copyright &y& Elsevier]

Summary: In floodplain habitats inundation is a seasonally reoccurring phenomena. It represents a natural disturbance for the biocoenoses, causing their successional development to be reset. Collembola generally have developmental cycles that coincide with the yearly inundation incidences. They show perpetual regeneration, which is dependent on flooding intensity. Collembolan communities have been studied in floodplains of the Upper Rhine Valley since the mid-1990s. The development of collembolan communities was followed spatially in different floodplain levels in close vicinity to one another (with different inundation durations within the same year) as well as temporally within the same floodplain levels in different sites. Community development and structure depended mostly on inundation duration and differed from year to year in the same site. Through the differences in the population densities of the various species between sites as well as in different years, species groups, differing in their inundation tolerance, were distinguished. The species occurred either sympatrically or belonged to a common regional species pool (metacommunity). Which species dominated at individual sites depended on the inundation intensity of the individual site and year. The mixture of different inundation tolerances as well as regeneration strategies in the metacommunity, coupled with probable species exchange between patches, determines the composition and structure of local collembolan communities in floodplain forests. These communities are very heterogeneous at small spatial scales. They can thus differentially respond to different flooding intensities and maintain stabile metacommunities despite frequent, but irregular natural disturbances. [Copyright &y& Elsevier]

This work compares the performance of various beamforming algorithms for the mitigation of multiple access interference in adaptive array code-division multiple-access (CDMA) systems. The Fourier and linear constrained minimum variance (LCMV) methods are both well-known algorithms for beamforming. While the LCMV method has many advantages, it can result in high noise gain under certain conditions. The recently developed amplitude and phase-estimation (APES) method has been shown to have better noise-gain performance. The APES filter is derived for the spatial case and simulation results are compared to those of both Fourier and LCMV under various scenarios of the CDMA reverse channel. Further, the effects of the use of multiple constraints on the beam pattern of LCMV and APES are investigated. [ABSTRACT FROM AUTHOR]

Nuclear magnetic resonance (NMR) spectroscopy is a powerful analytical technique with the ability to acquire both quantitative and structurally insightful data for multiple components in a test sample. This makes NMR spectroscopy a desirable tool to understand, monitor, and optimize chemical transformations. While quantitative NMR (qNMR) approaches relying on internal standards are well‐established, using an absolute external calibration scheme is beneficial for reaction monitoring as resonance overlap complications from an added reference material to the sample can be avoided. Particularly, this type of qNMR technique is of interest with benchtop NMR spectrometers as the likelihood of resonance overlap is only enhanced with the lower magnetic field strengths of the used permanent magnets. The included study describes a simple yet robust methodology to determine concentration conversion factors for NMR systems using single‐ and multi‐analyte linear regression models. This approach is leveraged to investigate a pharmaceutically relevant amide coupling batch reaction. An on‐line stopped‐flow (i.e., interrupted‐flow or paused‐flow) benchtop NMR system was used to monitor both the 1,1′‐carbonyldiimidazole (CDI) promoted acid activation and the amide coupling. The results highlight how quantitative measurements in benchtop NMR systems can provide valuable information and enable analysts to make decisions in real time. [ABSTRACT FROM AUTHOR]

Externally calibrated quantitative nuclear magnetic resonance (NMR) approaches offer practical means to simultaneously evaluate chemical identity and content without the addition of calibrants to the test sample. Despite continuous advances in external calibration over the last few decades, adoption of these approaches has been slower than expected. Variations in NMR tube geometry are a commonly overlooked factor that can have a substantial effect on externally calibrated quantitation methods. In this report, we investigate the extent to which tube‐to‐tube volume variability can affect quantitative NMR outcomes. The results highlight the importance of considering tube quality during the development stages of externally calibrated quantitative methods. In addition, we propose a simple, yet effective volume correction strategy using the residual protonated solvent signal that, based on experiments with mixed NMR tubes of varying quality, alleviates the effect of tube‐to‐tube variability. [ABSTRACT FROM AUTHOR]

The impact of surfactants on supersaturation of clotrimazole solutions was systematically evaluated. Four clinically relevant surfactants, sodium dodecyl sulfate, vitamin E TPGS, Tween 80, and docusate sodium were studied. The induction time for nucleation and rate of desupersaturation were determined at a supersaturation ratio of 90% amorphous solubility. Measurement was also performed in the presence of predissolved hydroxypropyl methylcellulose acetate succinate to study the effect of surfactant-polymer interaction on desupersaturation. The 4 surfactants showed varied effects on desupersaturation. From supersaturation maintenance perspective, in the presence of hydroxypropyl methylcellulose acetate succinate, the rank order for the 4 surfactants was found to be: docusate sodium > vitamin E TPGS > sodium dodecyl sulfate > Tween 80. Given the importance of maintaining supersaturation and varied effect of surfactants on nucleation kinetics and desupersaturation rate, a careful examination of active pharmaceutical ingredient, polymer and surfactant interaction on an individual basis is recommended for selecting an appropriate surfactant for use in amorphous solid dispersion formulation. [ABSTRACT FROM AUTHOR]

Two-dimensional (2D) data are typically truncated in both dimensions, but invariably and severely so in the indirect dimension. These truncated FIDs and/or interferograms are extensively zero filled, and Fourier transformation of such zero-filled data is always preceded by a rapidly decaying apodization function. Hence, the frequency line width in the spectrum (at least parallel to the evolution dimension) is almost always dominated by the apodization function. Such apodization-driven line broadening in the indirect (t1) dimension leads to the lack of clear resolution of cross peaks in the 2D spectrum. Time-domain analysis (i.e. extraction of frequency, amplitudes, line width, and phase parameters directly from the FID, in this case via Bayesian modeling into a tabular format) of NMR data is another approach for spectral resonance characterization and quantification. The recently published complete reduction to amplitude frequency table (CRAFT) technique converts the raw FID data (i.e. time-domain data) into a table of frequencies, amplitudes, decay rate constants, and phases. CRAFT analyses of time-domain data require minimal or no apodization prior to extraction of the four parameters. We used the CRAFT processing approach for the decimation of the interferograms and compared the results from a variety of 2D spectra against conventional processing with and without linear prediction. The results show that use of the CRAFT technique to decimate the t1 interferograms yields much narrower spectral line width of the resonances, circumventing the loss of resolution due to apodization. Copyright © 2016 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]

Abstract: Four echinomycin antibiotics were isolated from the culture broth of a marine streptomycete, and their structures were determined by a combination of chemical and spectroscopic analyses. Antibiotic activities were measured against drug-resistant and biofilm-forming strains of Staphylococcus aureus and Enterococcus faecalis. Minimum inhibitory concentrations ranging from 0.01μM to greater than 14μM clearly defined structure–activity relationships for antibiotic potency. Echinomycin was the most active compound with a MIC of 0.03μM against methicillin-resistant S. aureus and 0.01μM against biofilm-forming E. faecalis. [Copyright &y& Elsevier]

Soil - an underestimated biotope The soil is a biotope with high species abundances and richness. It is, furthermore, a location where important ecosystem services are realized. Recent research projects on the origin and development of soil animal communities, on the heterogeneous interactions within the soil nutrient net and the distribution of soil animals show the different ecological traits and adaptabilities of the world beneath our feet. So research contributes to maintain the eco-resource of soil and its sustainable use. [ABSTRACT FROM AUTHOR]

Mofette fields, i.e. geogenic, cold CO2-exhaling gas vents occurring naturally in regions of tectonic or volcanic disturbances provide an excellent opportunity to investigate long-term responses of the soil biota to increased CO2 concentrations. The upper centimeters of mofette soils present a small-scale mosaic of different CO2 and O2 concentrations: From up to 100% CO2 and 0% O2 around local degassing vents to ambient soil atmosphere (<2% CO2). The present field study investigated the influence of CO2 on the community structure of Collembola as representatives of the air-filled fraction of the pore system and of Nematoda as inhabitants of soil water films. Canonical correspondence analyses revealed strong correlations between soil faunal communities and environmental measures, above all CO2 concentration, organic matter content and plant coverage. An increase in CO2 concentration was followed by a steady decline in collembolan and nematode species richness and collembolan densities, but below a threshold of 62% CO2 had no significant effect on overall nematode densities. Collembolans developed viable populations at up to 20% CO2, where some mofettophilous species had their highest densities and frequencies, but other more general species also occurred (66% of overall collembolan densities). Nematodes, on the other hand, maintained individual-rich populations at up to 62% CO2, but above 20% CO2 nematode communities consisted almost entirely (97.6%) of three mofettophilous species: one feeding on bacteria, one on fungi and one on plant roots. Likely a combination of active and passive life phases together with temporal and micro-scale changes in environmental conditions allows survival of few mofettophilous species under CO2 conditions too extreme for most other species. The finding that mofettophilous species maintained denser populations in high CO2 patches, with species optima between 3% and 40% CO2, indicates that they even profit from CO2 degassing, presumably via changes in food supply or due to the lack of competitors. [ABSTRACT FROM AUTHOR]

While developing a synthetic route for GDC-0326, a PI3Kα selective inhibitor, a side product was identified which was adversely impacting process chemistry development. To aid in optimization of a viable synthetic pathway for the drug, it was decided to characterize this impurity. Initial efforts using typical high-resolution mass spectrometry data coupled with NMR analysis were unable to unambiguously identify the structure. The NMR analysis was hampered by a severe lack of protons in the core of the structure. While efforts were being made to produce suitable crystals for definitive x-ray analysis, Raman analysis was undertaken. The vibrational data were compared to DFT calculations for the two most likely structures. This data, along with chemical reasoning, eventually led to successful prediction of structure 2, which was ultimately confirmed by single crystal x-ray diffractometry data. [Display omitted] • Significant side product identified during process development of GDC-0326. • Mass Spectrometry and NMR were not sufficient to determine the structure. • Raman analysis and eventually single crystal x-ray were necessary to definitively solve the structure and resolve the pathway to formation of the compound. [ABSTRACT FROM AUTHOR]

After a release of genetically modified organisms, monitoring of potential adverse effects on the environment is mandatory. The protocol used for monitoring should be previously tested in practical studies and must be standardised. Moreover, sampling methods and the evaluation of results must meet current scientific and technical standards. Due to their particular role in maintaining soil quality and in a multitude of ecological processes in agro-ecosystems, soil organisms belong to those groups for which VDI guidelines are being developed. The guideline 4331 Part 1 describes fundamental criteria for the selection and sampling of soil organisms for GMO monitoring and gives guidance for sampling design, sampling strategy and statistical evaluation. In the guideline three approaches are followed: (1) a compilation of previously known effects and exposure pathways, (2) a documentation of ecological functions of soil organisms (ecosystem services) as well as (3) a description of characteristic species compositions in the soil. The aim was to develop a selection matrix that helps to choose the appropriate animal groups to be sampled. Besides the habitat type and the ecological relevance, the selection matrix also considers the suitability of animal groups in terms of practical issues and, in specific cases, anticipated effects. Further parts of the guideline 4331 will describe sampling methods for relevant soil animal groups. [ABSTRACT FROM AUTHOR]

Background: Indo-Pacific high island streams experience extreme hydrological variation, and are characterised by freshwater fish species with an amphidromous life history. Amphidromy is a likely adaptation for colonisation of island streams following stochastic events that lead to local extirpation. In the Wet Tropics of north-eastern Australia, steep coastal mountain streams share similar physical characteristics to island systems. These streams are poorly surveyed, but may provide suitable habitat for amphidromous species. However, due to their ephemeral nature, common non-diadromous freshwater species of continental Australia are unlikely to persist. Consequently, we hypothesise that coastal Wet Tropics streams are faunally more similar, to distant Pacific island communities, than to nearby faunas of large continental rivers. Methods/Principal Findings: Surveys of coastal Wet Tropics streams recorded 26 species, 10 of which are first records for Australia, with three species undescribed. This fish community is unique in an Australian context in that it contains mostly amphidromous species, including sicydiine gobies of the genera Sicyopterus, Sicyopus, Smilosicyopus and Stiphodon. Species presence/absence data of coastal Wet Tropics streams were compared to both Wet Tropics river networks and Pacific island faunas. ANOSIM indicated the fish fauna of north-eastern Australian coastal streams were more similar to distant Pacific islands (R = 0.76), than to nearby continental rivers (R = 0.98). Main Conclusions/Significance: Coastal Wet Tropics streams are faunally more similar to distant Pacific islands (79% of species shared), than to nearby continental fauna due to two factors. First, coastal Wet Tropics streams lack many nondiadromous freshwater fish which are common in nearby large rivers. Second, many amphidromous species found in coastal Wet Tropics streams and Indo-Pacific islands remain absent from large rivers of the Wet Tropics. The evolutionary and conservation significance of this newly discovered Australian fauna requires clarification in the context of the wider amphidromous fish community of the Pacific. [ABSTRACT FROM AUTHOR]