Visualization in simulation tools: requirements and a tool specification to support the teaching of dynamic biological processes

Simulation tools are playing an increasingly important role behind advances in the field of systems biology. However, the current generation of biological science students has either little or no experience with such tools. As such, this educational glitch is limiting both the potential use of such tools as well as the potential for tighter cooperation between the designers and users. Although some simulation tool producers encourage their use in teaching, little attempt has hitherto been made to analyze and discuss their suitability as an educational tool for noncomputing science students. In general, today's simulation tools assume that the user has a stronger mathematical and computing background than that which is found in most biological science curricula, thus making the introduction of such tools a considerable pedagogical challenge. This paper provides an evaluation of the pedagogical attributes of existing simulation tools for cell signal transduction based on Cognitive Load theory. Further, design recommendations for an improved educational simulation tool are provided. The study is based on simulation tools for cell signal transduction. However, the discussions are relevant to a broader biological simulation tool set.     

Mathematical simulation of the diel O, S, and C biogeochemistry of a hypersaline microbial mat

The creation of a mathematical simulation model of photosynthetic microbial mats is important to our understanding of key biogeochemical cycles that may have altered the atmospheres and lithospheres of early Earth. A model is presented here as a tool to integrate empirical results from research on hypersaline mats from Baja California Sur (BCS), Mexico into a computational system that can be used to simulate biospheric inputs of trace gases to the atmosphere. The first version of our model, presented here, calculates fluxes and cycling of O(2), sulfide, and dissolved inorganic carbon (DIC) via abiotic components and via four major microbial guilds: cyanobacteria (CYA), sulfate reducing bacteria (SRB), purple sulfur bacteria (PSB) and colorless sulfur bacteria (CSB). We used generalized Monod-type equations that incorporate substrate and energy limits upon maximum rates of metabolic processes such as photosynthesis and sulfate reduction. We ran a simulation using temperature and irradiance inputs from data collected from a microbial mat in Guerrero Negro in BCS (Mexico). Model O(2), sulfide, and DIC concentration profiles and fluxes compared well with data collected in the field mats. There were some model-predicted features of biogeochemical cycling not observed in our actual measurements. For instance, large influxes and effluxes of DIC across the MBGC mat boundary may reveal previously unrecognized, but real, in situ limits on rates of biogeochemical processes. Some of the short-term variation in field-collected mat O(2) was not predicted by MBGC. This suggests a need both for more model sensitivity to small environmental fluctuations for the incorporation of a photorespiration function into the model.     

Analysis for free: comparing programs for sequence analysis

Programs to import, manage and align sequences and to analyse the properties of DNA, RNA and proteins are essential for every biological laboratory. This review describes two different freeware (BioEdit and pDRAW for MS Windows) and a commercial program (Sequencher for MS Windows and Apple MacOS). Bioedit and Sequencher offer functions such as sequence alignment and editing plus reading of sequence trace files. pDRAW is a very comfortable visualisation tool with a variety of analysis functions. While Sequencher impresses with a very user-friendly interface and easy-to-use tools, BioEdit offers the largest and most customisable variety of tools. The strength of pDRAW is drawing and analysis of single sequences for priming and restriction sites and virtual cloning. It has a database function for user-specific oligonucleotides and restriction enzymes.     

The NUCOMBog R package for simulating vegetation,water, carbon and nitrogen dynamics in peatlands

Since peatlands store up to 30% of the global soil organic carbon, it is important to understand how these ecosystems will react to a change in climate and management. Process-based ecosystem models have emerged as important tools for predicting long-term peatland dynamics, but their application is often challenging because they require programming skills. In this paper, we present NUCOMBog, an R package of the NUCOM-Bog model (Heijmans et al. 2008), which simulates the vegetation, carbon, nitrogen and water dynamics of peatlands in monthly time steps. The package complements the model with appropriate functions, such as the calculation of net ecosystem exchange, as well as parallel functionality. As a result, the NUCOMBog R package provides a user-friendly tool for simulating vegetation and biogeochemical cycles/fluxes in peatlands over years/decades, under different management strategies and climate change scenarios, with the option to use all the in-built model analysis capabilities of R, such as plotting, sensitivity analysis or optimization.     

人类扰动对重金属元素的生物地球化学过程的影响与修复研究进展

重金属元素在自然界中主要分布于岩石和土壤当中,通过生物地球化学循环进入其他圈层。工业革命以后,矿物开采、冶炼、农业等传统人类活动和电子产业、交通运输等现代人类活动的不断发展,增加了岩层中重金属元素进入环境的总量,还改变了它们在不同环境介质中的迁移速率、方向、形态和生物毒性,进而增加危害人类健康的风险。只有充分了解人类扰动下重金属元素生物地球化学循环的新过程和新特征,才能抓住关键环节并且科学地建立高效可行的重金属污染修复方法与技术。总结了人类扰动及其引起的一系列环境变化对几种关键重金属元素生物地球化学循环的影响,综述分析表明由于人类扰动增加重金属源头释放并加速其在水中迁移速率,日后的修复工作应该着重于矿山、电子垃圾场等特殊区域的修复和监管并利用多种修复方式联用遏制重金属在水体中的快速迁移,这为重金属污染修复技术的研究提供导向和依据。     

Molecular Optical Simulation Environment (MOSE): A Platform for the Simulation of Light Propagation in Turbid Media

The study of light propagation in turbid media has attracted extensive attention in the field of biomedical optical molecular imaging. In this paper, we present a software platform for the simulation of light propagation in turbid media named the “Molecular Optical Simulation Environment (MOSE)”. Based on the gold standard of the Monte Carlo method, MOSE simulates light propagation both in tissues with complicated structures and through free-space. In particular, MOSE synthesizes realistic data for bioluminescence tomography (BLT), fluorescence molecular tomography (FMT), and diffuse optical tomography (DOT). The user-friendly interface and powerful visualization tools facilitate data analysis and system evaluation. As a major measure for resource sharing and reproducible research, MOSE aims to provide freeware for research and educational institutions, which can be downloaded at http://www.mosetm.net.     

Technical note: A freeware,equitable approach to dental topographic analysis

Dental topographic analysis has proved a valuable tool for quantifying dental morphology. Established workflows often use proprietary software for pre-processing dental surfaces, rendering the method expensive and inaccessible to many. This study explores the use of freeware pre-processing alternatives. We tested 4 decimation tools and 13 smoothing tools across 7 different freeware packages. Surfaces generated via proprietary software could not be replicated, but it was possible to obtain statistically similar measurements using freeware. Based on this investigation, we propose a freeware workflow for researchers to conduct dental topographic analysis, with the expectation that their results will be comparable to that obtained through proprietary methods.     

Anaerobic ammonium oxidation in marine environments: contribution to biogeochemical cycles and biotechnological developments for wastewater treatment

Microbial processes are responsible for most reactions involved in the nitrogen cycle in the oceans, which determine the fluxes of this crucial nutrient in these environments. The present review provides an overview of the contribution of anaerobic ammonium oxidation (Anammox) to marine biogeochemical processes. Besides the conventional Anammox process, anaerobic ammonium oxidation coupled to the microbial reduction of alternative electron acceptors, such as sulfate (Sulfammox), ferric iron (Feammox), and natural organic matter (NOM-dependent Anammox) is also described in the context of global marine biogeochemical cycles. Also, the complex interactions among the oceanic biogeochemical cycles of N, S and Fe are discussed at the light of the new findings available in the literature. The review also underlines the important role of the microbial processes performing the Anammox reaction in the development of wastewater treatment systems for the removal of nitrogen from saline effluents. Strategies to enrich and immobilize Anammox bacteria in different reactor configurations for the treatment of saline wastewaters are also described as well as future directions for novel biotechnological developments based on Anammox.

     

A comparison of four pair-wise sequence alignment methods

Protein sequence alignment has become an essential task in modern molecular biology research. A number of alignment techniques have been documented in literature and their corresponding tools are made available as freeware and commercial software. The choice and use of these tools for sequence alignment through the complete interpretation of alignment results is often considered non-trivial by end-users with limited skill in Bioinformatics algorithm development. Here, we discuss the comparison of sequence alignment techniques based on dynamic programming (N-W, S-W) and heuristics (LFASTA, BL2SEQ) for four sets of sequence data towards an educational purpose. The analysis suggests that heuristics based methods are faster than dynamic programming methods in alignment speed.     

A Classroom Simulation to Teach Economic Input−Output Life Cycle Assessment

Life cycle assessment (LCA) methods and tools are increasingly being taught in university courses. Students are learning the concepts and applications of process-based LCA, input−output-based LCA, and hybrid methods. Here, we describe a classroom simulation to introduce students to an economic input−output life cycle assessment (EIO-LCA) method. The simulation uses a simplified four-industry economy with eight transactions among the industries. Production functions for the transactions and waste generation amounts are provided for each industry. Students represent an industry and receive and issue purchase orders for materials to simulate the actual purchases of materials within the economy. Students then compare the simulation to mathematical representations of the model. Finally, students view an online EIO-LCA tool ( http://www.eiolca.net ) and use the tool to compare different products. The simulation has been used successfully with a wide range of students to facilitate conceptual understanding of one EIO-LCA method.     

COPASI--a COmplex PAthway SImulator

MOTIVATION: Simulation and modeling is becoming a standard approach to understand complex biochemical processes. Therefore, there is a big need for software tools that allow access to diverse simulation and modeling methods as well as support for the usage of these methods. RESULTS: Here, we present COPASI, a platform-independent and user-friendly biochemical simulator that offers several unique features. We discuss numerical issues with these features; in particular, the criteria to switch between stochastic and deterministic simulation methods, hybrid deterministic-stochastic methods, and the importance of random number generator numerical resolution in stochastic simulation. AVAILABILITY: The complete software is available in binary (executable) for MS Windows, OS X, Linux (Intel) and Sun Solaris (SPARC), as well as the full source code under an open source license from http://www.copasi.org.     

A simple recipe for the non-expert bioinformaticist for building experimentally-testable hypotheses for proteins with no known homologs

The study of the protein?Cprotein interactions (PPIs) of unique ORFs is a strategy for deciphering the biological roles of unique ORFs of interest. For uniform reference, we define unique ORFs as those for which no matching protein is found after PDB-BLAST search with default parameters. The uniqueness of the ORFs generally precludes the straightforward use of structure-based approaches in the design of experiments to explore PPIs. Many open-source bioinformatics tools, from the commonly-used to the relatively esoteric, have been built and validated to perform analyses and/or predictions of sorts on proteins. How can these available tools be combined into a protocol that helps the non-expert bioinformaticist researcher to design experiments to explore the PPIs of their unique ORF? Here we define a pragmatic protocol based on accessibility of software to achieve this and we make it concrete by applying it on two proteins??the ImuB and ImuA?? proteins from Mycobacterium tuberculosis. The protocol is pragmatic in that decisions are made largely based on the availability of easy-to-use freeware. We define the following basic and user-friendly software pathway to build testable PPI hypotheses for a query protein sequence: PSI-PRED????MUSTER????metaPPISP????ASAView and ConSurf. Where possible, other analytical and/or predictive tools may be included. Our protocol combines the software predictions and analyses with general bioinformatics principles to arrive at consensus, prioritised and testable PPI hypotheses.     

Novel Simulation Tools for Materials Engineering Education

Abstract

A novel simulation interface is being developed as an educational tool to help students better understand fundamentals of materials science. This interface makes use of virtual reality (VR) technology consisting of PC-based graphics and a force-feedback haptic device. Visualization of atomistic processes with simultaneous tactile sensation via the haptic provides a powerful method for understanding complex phenomena that are otherwise difficult to comprehend. Modules are described that allow students to interactively explore interatomic bonding and single-atom diffusion through materials.     

Definitions and principles for bioindication and biomonitoring of trace metals in the environment

Clear-cut definitions are given for most terms used in monitoring studies. In these studies the observation or experimental investigation of living organisms give a qualitative or quantitative information on the state of the environment with special reference to trace metals. The focus and future goals of biogeochemical research must consider the direct effects on human health, by including modelling of active biogeochemical processes than they have done so far. Newly developed strategies as the multi-markered bioindication concept (MMBC) with its functional and integrated windows on prophylactic healthcare are essential tools for successfully observing the environment with respect to trace metals. An intensified training of students and a strong hand in hand work between industrial, educational and public institutions is necessary.     

EcoPred: an educational individual based model to explain biological control,a case study within an arable land

ABSTRACT

Individual based models (IBMs) are up-to-date tools both in research and educational areas. Here we introduce an IBM built on NetLogo platform that simulates a top-down trophic cascade controlled by the pressure exerted by two model predators (web-building spiders and ground runner spiders) on a model pest (the olive fruit fly) within a hypothetical agricultural landscape (the olive crop). EcoPred is an IBM that aims to be an educational tool that can help teachers to explain concepts related to ecology in a modern, enjoyable and comprehensive way. EcoPred reflects the changes on a fly population within a simulated olive crop according to (1) the mortality rate caused by the predation of two spider species and energy loss, (2) the energy gain by feeding on flowers and (3) the reproduction rate in olive trees. The model was tested with 26 students achieving very good results in terms of acceptance and interest on the learning method. EcoPred can be used for educational purposes with 16 year old students and older to explain ecological concepts such as trophic level, species interactions, limiting factor and biological control in an interactive way simultaneously introducing students to biology oriented programming languages.     

Evaluation of Phantom-Based Education System for Acupuncture Manipulation

BackgroundAlthough acupuncture manipulation has been regarded as one of the important factors in clinical outcome, it has been difficult to train novice students to become skillful experts due to a lack of adequate educational program and tools.ObjectivesIn the present study, we investigated whether newly developed phantom acupoint tools would be useful to practice-naïve acupuncture students for practicing the three different types of acupuncture manipulation to enhance their skills.MethodsWe recruited 12 novice students and had them practice acupuncture manipulations on the phantom acupoint (5% agarose gel). We used the Acusensor 2 and compared their acupuncture manipulation techniques, for which the target criteria were depth and time factors, at acupoint LI11 in the human body before and after 10 training sessions. The outcomes were depth of needle insertion, depth error from target criterion, time of rotating, lifting, and thrusting, time error from target criteria and the time ratio.ResultsAfter 10 training sessions, the students showed significantly improved outcomes in depth of needle, depth error (rotation, reducing lifting/thrusting), thumb-forward time error, thumb-backward time error (rotation), and lifting time (reinforcing lifting/thrusting).ConclusionsThe phantom acupoint tool could be useful in a phantom-based education program for acupuncture-manipulation training for students. For advanced education programs for acupuncture manipulation, we will need to collect additional information, such as patient responses, acupoint-specific anatomical characteristics, delicate tissue-like modeling, haptic and visual feedback, and data from an acupuncture practice simulator.     

Intra-flock variability in the body reserve dynamics of meat sheep by analyzing BW and body condition score variations over multiple production cycles

Breeding for resilience requires a better understanding of intra-flock variability and the related mechanisms responsible for robustness traits. Among such traits, the animals’ ability to cope with feed fluctuations by mobilizing or restoring body reserves (BR) is a key mechanism in ruminants. The objective of this work was to characterize individual variability in BR dynamics in productive Romane ewes reared in extensive conditions. The BR dynamics profiles were characterized by combining individual longitudinal measurements of BW and body condition scores (BCS) over several production cycles. Historical data, including up to 2628 records per trait distributed in 1146 ewes, underwent cluster analysis. Two to four trajectories were observed for BW depending on the cycle, while three trajectories were found for BCS, whatever the cycle. Most trajectories suggested that BR dynamics were similar but the level of BR may differ between ewes. Nevertheless, some trajectories suggested that both BR dynamics and levels were different for a proportion of ewes. Clustering on BW and BCS profiles adjusted for individual level trends, resulted in differences only in the level of BW or BCS, rather than differences in trajectories. Thus, the overall shape of trajectories was not changed considering or not the individual level trend across cycles. In addition to individual variability, the ewe’s age at first lambing and litter size contributed to the distribution of the ewes between the trajectories. Regarding the entire productive life, three trajectories were observed for BW and BCS changes over three productive cycles. Increase in BW at each cycle suggested that ewes kept growing up until 3 to 4 years old in our conditions. Similar alternation of BCS gains and losses across cycles suggested BR dynamics might be repeatable. Many individual trajectories remained the same throughout a ewe’s life, whatever the age at first lambing, parity or litter size. Our results demonstrate the relevance of using BW and BCS changes for characterizing the diversity of BR mobilization–accretion profiles in sheep in a long timespan perspective.     

地下水微生物功能群及生物地球化学循环

地下水系统是地球关键带的重要组成部分,为微生物提供了特殊的栖息环境和复杂的生存条件,进而演化出复杂的生物地球化学过程。随着多技术、多学科的交叉融合及发展,近几十年地下水微生物功能群及生物地球化学循环研究取得了引人瞩目的重要进展。本文从地下水中的微生物群功能分区、微生物介导的地球化学元素循环、污染与修复中的生物地球化学过程,以及生物地球化学过程数值模拟等方面对国内外相关研究进展进行了综述,并对地下水系统中微生物"暗物质、暗过程"、微生物修复、地下水医学地质学,以及地下水多学科交叉融合等研究方向和前景进行了展望。     

Integrating life cycle assessment (LCA) and life cycle costing (LCC) in the early phases of aircraft structural design: an elevator case study

Purpose

The main objective of this paper is to develop a model that will combine economic and environmental assessment tools to support the composite material selection of aircraft structures in the early phases of design and application of the tool for an aircraft elevator.

Methods

An integrated life cycle cost (LCC) and life cycle assessment (LCA) methodology was used as part of the sustainable design approach for the laminate stacking sequence design. The model considered is the aircraft structure made of carbon fiber reinforce plastic prepreg and processed via hand layup-autoclave process which is the preferred method for the aircraft industry. The model was applied to a cargo aircraft elevator case study by comparing six different laminate configurations and two different carbon fiber prepreg materials across aircraft’s entire life cycle.

Results and discussion

The results show, in line with other studies using different methodologies (e.g., life cycle engineering, or LCE), that the combination of LCA with LCC is a worthwhile approach for comparing the different laminate configurations in terms of cost and environmental impact to support composite laminate stacking design by providing the best trade-off between cost and environment. Elevator LCC reduces 19% by changing the material type and applying different ply orientations. Elevator LCA score reduces 53% by selecting the optimum instead of best technical solution that minimizes the displacement. Improving the structural performance does not always lead to an increase in the cost.