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- ItemCurvature model for nanoparticle size effects on peptide fibril stability and molecular dynamics simulation data(Amsterdam [u.a.] : Elsevier, 2022) John, Torsten; Martin, Lisandra L.; Risselada, Herre Jelger; Abel, BerndNanostructured surfaces are widespread in nature and are being further developed in materials science. This makes them highly relevant for biomolecules, such as peptides. In this data article, we present a curvature model and molecular dynamics (MD) simulation data on the influence of nanoparticle size on the stability of amyloid peptide fibrils related to our research article entitled “Mechanistic insights into the size-dependent effects of nanoparticles on inhibiting and accelerating amyloid fibril formation” (John et al., 2022) [1]. We provide the code to perform MD simulations in GROMACS 4.5.7 software of arbitrarily chosen biomolecule oligomers adsorbed on a curved surface of chosen nanoparticle size. We also provide the simulation parameters and data for peptide oligomers of Aß40, NNFGAIL, GNNQQNY, and VQIYVK. The data provided allows researchers to further analyze our MD simulations and the curvature model allows for a better understanding of oligomeric structures on surfaces.
- ItemDataset on permeability of wings from owls and non-silently flying birds(Amsterdam [u.a.] : Elsevier, 2024) Geyer, Thomas F.; Windisch, Thomas; Fritzsche, Christoph; Sarradj, EnnesThe very soft and flow-permeable plumage is among the special adaptations of the owl that the silent flight is attributed to. Using a specially designed apparatus that provides a low-speed volume flow of air through a small sample of porous material, measurements of the air flow permeability were performed in accordance to ISO 9053 on a total of 39 prepared wing specimen from six different bird species, including three species of silently flying owls and three non-silently flying bird species. The resulting data set described in the present paper contains the static airflow resistance measured at different positions on the wing.
- ItemGrain-size distribution dataset of supercritical flow sediments from a Gilbert-type delta that are associated with disaggregation bands(Amsterdam [u.a.] : Elsevier, 2022) Tanner, David C.; Brandes, Christian; Winsemann, JuttaThis is a dataset of grain-size distribution in sub- and supercritical flow sediments of a Gilbert-type delta from an outcrop in North Germany. Thirteen samples of ca 2.5 kg were dried (at 105°C), and homogenised twice with a sample divider. A representative sample of 1-2 g was then analysed using laser diffraction. The grain-size distribution of the sand has a maximum between fine to medium sand, with a long fine fraction tail down to 0.06 µm and occasional coarse fractions (up to 1.5 mm) in some samples. Specific grain-size distributions correlate with the different sedimentary bedforms from which the samples were taken. This data is important for two reasons: Firstly, sedimentary structures formed by Froude supercritical flows are controlled by grain-size. However, few studies have provided grain-size datasets from the natural record, which often have a much wider grain-size distribution than experimentally-produced supercritical flow deposits. Secondly, the sands were deformed subsequently by disaggregation bands, a type of geological fault that only develops in porous granular materials, i.e. well-sorted, medium sand. The disaggregation bands are indicative of seismic or even aseismic, creeping movement of basement faults.
- ItemData on single pulse fs laser induced submicron bubbles in the subsurface region of soda-lime glass(Amsterdam [u.a.] : Elsevier, 2020) Lai, Shengying; Ehrhardt, Martin; Lorenz, Pierre; Lu, Jian; Han, Bing; Zimmer, KlausSubmicron bubble formation in the subsurface range of soda-lime glass is investigated. The bubbles are induced by single femtosecond laser pulse irradiation with the wavelength of λ = 775 nm, the pulse duration of tp = 150 fs and the laser beam diameter of ∼12 μm. The data shows the changes of the morphologies of the soda-lime glass after laser irradiation with different pulse energy. Moreover, the data shows the detail of the cross-section view of the bubble during the Focused ion beam (FIB) cutting. It is found that the bubbles can be formed in a rather narrow pulse energy range with the bubbles in the size of 300 nm ∼3 μm which is much smaller than the laser beam diameter. Data presented in this article are related to the research article “Submicron bubbles/voids formation in the subsurface region of soda-lime glass by single pulse fs laser-induced spallation” [1]. © 2020
- ItemGlobal and country-level data of the biodiversity footprints of 175 crops and pasture(Amsterdam [u.a.] : Elsevier, 2021) Beyer, Robert; Manica, AndreaThe destruction of natural habitat for cropland and pasture represents a major threat to global biodiversity. Despite widespread societal concern about biodiversity loss associated with food production, consumer access to quantitative estimates of the impact of crop production on the world's species has been very limited compared to assessments of other environmental variables such as greenhouse gas emissions or water use. Here, we present a consistent dataset of the biodiversity footprints of pasture and 175 crops at the global and national level. The data were generated by combining maps of the global distribution of agricultural areas in the year 2000 with spatially explicit estimates of the biodiversity loss associated with the conversion of natural habitat to farmland. Estimates were derived for three common alternative measures of biodiversity - species richness, threatened species richness, and range rarity - of the world's mammals, birds, and amphibians. Our dataset provides important quantitative information for food consumers and policy makers, allowing them to take evidence-based decisions to reduce the biodiversity footprint of global food production.
- ItemAn extended hybrid input-output model applied to fossil- and bio-based plastics(Amsterdam [u.a.] : Elsevier, 2021) Jander, WiebkeMatrix augmentation method is developed further and described transparently for enabling more specific input-output analyses of bio- vs. fossil-based sectors. A number of economic and environmental effects of substitution can be estimated, compared, and managed. While the model was applied for the first time to the German plastics industry, it can be well integrated into existing bioeconomy monitorings to represent substitution in sectors and countries. • Original matrix augmentation method is described in much detail for the first time considering available data for bio- and fossil-based industries. • Particular attention is paid to balancing cost and benefit in model building so that indicators can be integrated in a continuous monitoring of the bioeconomy. Hence, industry data is prefered to process data whenever possible. • Input structures of bio-based imports are considered in single-region input-output analysis.
- ItemIntegrative programming for simulation of packaging headspace and shelf life of fresh produce(Amsterdam [u.a.] : Elsevier, 2021) Jalali, Ali; Linke, Manfred; Geyer, Martin; Mahajan, PramodFresh horticultural products are exposed to different environmental conditions from farm to fork. Barrier properties of packaging and physiological behaviour of produce, namely respiration and transpiration can affect headspace conditions surrounding produce and consequently remaining shelf life. Packaging material also plays a role in heat and mass transfer, such as thermal conduction and permeation of O2, CO2 and water vapour. All of these behaviours are integrated together in the form of ordinary differential equations and solved using numerical methods in MATLAB. • The simulation program is useful for designing the size and number of perforations to achieve equilibrium modified atmosphere alone or in combination with packaging material having a higher water transmission rate or active moisture absorber. • The simulation program is also useful for predicting the shelf life of fresh produce under the actual supply chain conditions. • The simulation program provides a flexible system to input predefined supply chain conditions and the properties of fresh produce and packaging material, thus, minimizing the costly and time consuming experimental procedures for selecting the optimum packaging material for fresh produce.
- ItemStatic and dynamic 3D culture of neural precursor cells on macroporous cryogel microcarriers(Amsterdam [u.a.] : Elsevier, 2020) Newland, Ben; Ehret, Fanny; Hoppe, Franziska; Eigel, Dimitri; Pette, Dagmar; Newland, Heike; Welzel, Petra B.; Kempermann, Gerd; Werner, CarstenNeural precursor cells have been much studied to further our understanding of the far-reaching and controversial question of adult neurogenesis. Currently, differentiation of primary neural precursor cells from the mouse dentate gyrus via 2-dimentional in vitro culture yields low numbers of neurons, a major hindrance to the field of study. 3-dimentional “neurosphere” culture allows better 3D cell-cell contact, but control over cell differentiation is poor because nutrition and oxygen restrictions at the core of the sphere causes spontaneous differentiation, predominantly to glial cells, not neurons. Our group has developed macroporous scaffolds, which overcome the above-mentioned problems, allowing long-term culture of neural stem cells, which can be differentiated into a much higher yield of neurons. Herein we describe a method for culturing neural precursor cells on RGD peptide functionalized-heparin containing cryogel scaffolds, either in standard non-adherent well-plates (static culture) or in spinner flasks (dynamic culture). This method includes: • The synthesis and characterization of heparin based microcarriers. • A “static” 3D culture method for that does not require spinner flask equipment. • “Dynamic” culture in which cell loaded microcarriers are transferred to a spinner flask. © 2020 The Authors
- ItemLaser induced diffuse reflectance imaging – Monte Carlo simulation of backscattering measured on the surface(Amsterdam [u.a.] : Elsevier, 2020) Baranyai, LászlóThe Monte Carlo simulation algorithm of photon trajectory computation is implemented in object oriented R code. Diffuse reflectance, also called backscattering, is modeled in semi-infinite homogeneous media. Spatial photon flux leaving the surface of the media is collected. The profile of intensity along radii relative to the incident point is used to simulate measurement of computer vision systems. Four optical parameters of the media are used: absorption coefficient, scattering coefficient, anisotropy factor and refractive index. Five parameters are used to describe configuration of the vision system: number of photons, radius of circular light beam, limiting energy level of photons, radius of observed area, spatial resolution of the vision system. • The incident angle of the light beam is included in the photon launch procedure. Initial direction is typically assumed to be normal with x,y,z coordinates of 0,0,1. In the proposed modification, initial move vector is calculated based on the incident angle and refractive index of the media. Additionally, elliptic distortion of the circular light beam on the surface is calculated based on the incident angle. • Photon flux leaving media through the surface is corrected with Lambertian method to measure intensity captured by an imaging device in normal position. • The software implementing the method is written in R language, the R code is available as standard package.
- ItemQuantifying sustainable intensification of agriculture: The contribution of metrics and modelling(Amsterdam [u.a.] : Elsevier, 2021) Mouratiadou, Ioanna; Latka, Catharina; van der Hilst, Floor; Müller, Christoph; Berges, Regine; Bodirsky, Benjamin Leon; Ewert, Frank; Faye, Babacar; Heckelei, Thomas; Hoffmann, Munir; Lehtonen, Heikki; Lorite, Ignacio Jesus; Nendel, Claas; Palosuo, Taru; Rodríguez, Alfredo; Rötter, Reimund Paul; Ruiz-Ramos, Margarita; Stella, Tommaso; Webber, Heidi; Wicke, BirkaSustainable intensification (SI) of agriculture is a promising strategy for boosting the capacity of the agricultural sector to meet the growing demands for food and non-food products and services in a sustainable manner. Assessing and quantifying the options for SI remains a challenge due to its multiple dimensions and potential associated trade-offs. We contribute to overcoming this challenge by proposing an approach for the ex-ante evaluation of SI options and trade-offs to facilitate decision making in relation to SI. This approach is based on the utilization of a newly developed SI metrics framework (SIMeF) combined with agricultural systems modelling. We present SIMeF and its operationalization approach with modelling and evaluate the approach’s feasibility by assessing to what extent the SIMeF metrics can be quantified by representative agricultural systems models. SIMeF is based on the integration of academic and policy indicator frameworks, expert opinions, as well as the Sustainable Development Goals. Structured along seven SI domains and consisting of 37 themes, 142 sub-themes and 1128 metrics, it offers a holistic, generic, and policy-relevant dashboard for selecting the SI metrics to be quantified for the assessment of SI options in diverse contexts. The use of SIMeF with agricultural systems modelling allows the ex-ante assessment of SI options with respect to their productivity, resource use efficiency, environmental sustainability and, to a large extent, economic sustainability. However, we identify limitations to the use of modelling to represent several SI aspects related to social sustainability, certain ecological functions, the multi-functionality of agriculture, the management of losses and waste, and security and resilience. We suggest advancements in agricultural systems models and greater interdisciplinary and transdisciplinary integration to improve the ability to quantify SI metrics and to assess trade-offs across the various dimensions of SI.