004 Datenverarbeitung; Informatik
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Motivation:
Constraint-based modeling approaches allow the estimation of maximal in vivo enzyme catalytic rates that can serve as proxies for enzyme turnover numbers. Yet, genome-scale flux profiling remains a challenge in deploying these approaches to catalogue proxies for enzyme catalytic rates across organisms.
Results:
Here, we formulate a constraint-based approach, termed NIDLE-flux, to estimate fluxes at a genome-scale level by using the principle of efficient usage of expressed enzymes. Using proteomics data from Escherichia coli, we show that the fluxes estimated by NIDLE-flux and the existing approaches are in excellent qualitative agreement (Pearson correlation > 0.9). We also find that the maximal in vivo catalytic rates estimated by NIDLE-flux exhibits a Pearson correlation of 0.74 with in vitro enzyme turnover numbers. However, NIDLE-flux results in a 1.4-fold increase in the size of the estimated maximal in vivo catalytic rates in comparison to the contenders. Integration of the maximum in vivo catalytic rates with publically available proteomics and metabolomics data provide a better match to fluxes estimated by NIDLE-flux. Therefore, NIDLE-flux facilitates more effective usage of proteomics data to estimate proxies for kcatomes.
While the role of and consequences of being a bystander to face-to-face bullying has received some attention in the literature, to date, little is known about the effects of being a bystander to cyberbullying. It is also unknown how empathy might impact the negative consequences associated with being a bystander of cyberbullying. The present study focused on examining the longitudinal association between bystander of cyberbullying depression, and anxiety, and the moderating role of empathy in the relationship between bystander of cyberbullying and subsequent depression and anxiety. There were 1,090 adolescents (M-age = 12.19; 50% female) from the United States included at Time 1, and they completed questionnaires on empathy, cyberbullying roles (bystander, perpetrator, victim), depression, and anxiety. One year later, at Time 2, 1,067 adolescents (M-age = 13.76; 51% female) completed questionnaires on depression and anxiety. Results revealed a positive association between bystander of cyberbullying and depression and anxiety. Further, empathy moderated the positive relationship between bystander of cyberbullying and depression, but not for anxiety. Implications for intervention and prevention programs are discussed.
CovRadar
(2022)
The ongoing pandemic caused by SARS-CoV-2 emphasizes the importance of genomic surveillance to understand the evolution of the virus, to monitor the viral population, and plan epidemiological responses. Detailed analysis, easy visualization and intuitive filtering of the latest viral sequences are powerful for this purpose. We present CovRadar, a tool for genomic surveillance of the SARS-CoV-2 Spike protein. CovRadar consists of an analytical pipeline and a web application that enable the analysis and visualization of hundreds of thousand sequences. First, CovRadar extracts the regions of interest using local alignment, then builds a multiple sequence alignment, infers variants and consensus and finally presents the results in an interactive app, making accessing and reporting simple, flexible and fast.
COMMIT
(2022)
Composition and functions of microbial communities affect important traits in diverse hosts, from crops to humans. Yet, mechanistic understanding of how metabolism of individual microbes is affected by the community composition and metabolite leakage is lacking. Here, we first show that the consensus of automatically generated metabolic reconstructions improves the quality of the draft reconstructions, measured by comparison to reference models. We then devise an approach for gap filling, termed COMMIT, that considers metabolites for secretion based on their permeability and the composition of the community. By applying COMMIT with two soil communities from the Arabidopsis thaliana culture collection, we could significantly reduce the gap-filling solution in comparison to filling gaps in individual reconstructions without affecting the genomic support. Inspection of the metabolic interactions in the soil communities allows us to identify microbes with community roles of helpers and beneficiaries. Therefore, COMMIT offers a versatile fully automated solution for large-scale modelling of microbial communities for diverse biotechnological applications. <br /> Author summaryMicrobial communities are important in ecology, human health, and crop productivity. However, detailed information on the interactions within natural microbial communities is hampered by the community size, lack of detailed information on the biochemistry of single organisms, and the complexity of interactions between community members. Metabolic models are comprised of biochemical reaction networks based on the genome annotation, and can provide mechanistic insights into community functions. Previous analyses of microbial community models have been performed with high-quality reference models or models generated using a single reconstruction pipeline. However, these models do not contain information on the composition of the community that determines the metabolites exchanged between the community members. In addition, the quality of metabolic models is affected by the reconstruction approach used, with direct consequences on the inferred interactions between community members. Here, we use fully automated consensus reconstructions from four approaches to arrive at functional models with improved genomic support while considering the community composition. We applied our pipeline to two soil communities from the Arabidopsis thaliana culture collection, providing only genome sequences. Finally, we show that the obtained models have 90% genomic support and demonstrate that the derived interactions are corroborated by independent computational predictions.
The development of new and better optimization and approximation methods for Job Shop Scheduling Problems (JSP) uses simulations to compare their performance. The test data required for this has an uncertain influence on the simulation results, because the feasable search space can be changed drastically by small variations of the initial problem model. Methods could benefit from this to varying degrees. This speaks in favor of defining standardized and reusable test data for JSP problem classes, which in turn requires a systematic describability of the test data in order to be able to compile problem adequate data sets. This article looks at the test data used for comparing methods by literature review. It also shows how and why the differences in test data have to be taken into account. From this, corresponding challenges are derived which the management of test data must face in the context of JSP research.
Generating a novel and descriptive caption of an image is drawing increasing interests in computer vision, natural language processing, and multimedia communities. In this work, we propose an end-to-end trainable deep bidirectional LSTM (Bi-LSTM (Long Short-Term Memory)) model to address the problem. By combining a deep convolutional neural network (CNN) and two separate LSTM networks, our model is capable of learning long-term visual-language interactions by making use of history and future context information at high-level semantic space. We also explore deep multimodal bidirectional models, in which we increase the depth of nonlinearity transition in different ways to learn hierarchical visual-language embeddings. Data augmentation techniques such as multi-crop, multi-scale, and vertical mirror are proposed to prevent over-fitting in training deep models. To understand how our models "translate" image to sentence, we visualize and qualitatively analyze the evolution of Bi-LSTM internal states over time. The effectiveness and generality of proposed models are evaluated on four benchmark datasets: Flickr8K, Flickr30K, MSCOCO, and Pascal1K datasets. We demonstrate that Bi-LSTM models achieve highly competitive performance on both caption generation and image-sentence retrieval even without integrating an additional mechanism (e.g., object detection, attention model). Our experiments also prove that multi-task learning is beneficial to increase model generality and gain performance. We also demonstrate the performance of transfer learning of the Bi-LSTM model significantly outperforms previous methods on the Pascal1K dataset.