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Digital image correlation (DIC) techniques were used to evaluate strain distributions along tensile gage lengths immediately after yielding of a medium manganese steel (7 wt% Mn) in samples cold rolled in the range of 1–6 pct. With an increase in cold work, DIC confirmed that the yielding behavior transitioned from nucleation and propagation of a single localized deformation zone (Lüders band) to uniform deformation, that is, no evidence of strain localization. At intermediate amounts of cold work, a unique yielding behavior was evident where the initially-low positive strain hardening rate increased with tensile strain until conventional strain hardening (i.e., decrease in strain hardening rate with strain). The intermediate yielding behavior was associated with the development of multiple non‑propagating regions of strain localization, an observation not previously evident without the use of DIC.
An original comprehensive guide on computational nanomechanics discussing basic concepts and implications in areas such as computational physics, materials, mechanics and engineering as well as several other interdisciplinary avenues. This book makes the underlying theory accessible to readers without specialised training or extensive background in quantum physics, statistical mechanics, or theoretical chemistry. It combines a careful treatment of theoretical concepts with a detailed tutorial on computer software and computing implementation, including multiscale simulation and computational statistical theory. Multidisciplinary perspectives are provided, yielding a true insight on the applications of computational nanomechanics across diverse engineering fields. The book can serve as a practical guide with step-by-step discussion of coding, example problems and case studies. This book will be essential reading for students new to the subject, as well as an excellent reference for graduates and researchers.
The distribution of human leukocyte antigens in the population assists in matching solid organ donors and recipients when the typing methods used do not provide sufficiently precise information. This is made possible by linkage disequilibrium (LD), where alleles co-occur more often than random chance would suggest. There is a trade-off between the high bias and low variance of a broad sample from the population and the low bias but high variance of a focused sample. Some of this trade-off could be alleviated if sub-populations shared LD despite having different allele frequencies. These experiments show that Bayesian estimation can balance bias and variance by tuning the effective sample size of the reference panel, but the LD as represented by an additive or multiplicative copula is not shared.
The crystal structure of ponazuril has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Ponazuril crystallizes in space group P21/c (#14) with a = 8.49511(6), b = 12.38696(6), c = 18.84239(17) Å, β = 96.7166(4)°, V = 1969.152(12) Å3, and Z = 4. N–H⋯O hydrogen bonds link the molecules into chains along the a-axis, with a graph set C1,1(6). The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).
The crystal structure of imepitoin has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Imepitoin crystallizes in space group Pbca (#61) with a = 12.35541(2), b = 28.43308(8), c = 7.340917(7) Å, V = 2578.882(7) Å3, and Z = 8. The roughly planar molecules stack along the c-axis. There are no traditional hydrogen bonds in the structure, but several intramolecular and intermolecular C–H⋯O, C–H⋯N, and C–H⋯Cl hydrogen bonds contribute to the crystal energy. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).
The first Pan-African Conference on Crystallography, PCCr1, was held in Dschang, Cameroon in 2016. This highly successful meeting attracted 192 participants from 32 countries, including 20 African countries. PCCr2 followed in 2019, with over 200 participants from 35 countries. This was a joint meeting with AfLS and was hosted in Accra, Ghana. PPCCr3 was scheduled to take place in Nairobi, Kenya in 2021. Unfortunately, due to the pandemic, this meeting had to be postponed. The Steering Committee of the African Crystallographic Association, along with the Local Organizing Committee of PCCr3, decided to hold an online meeting in order to continue the momentum and sense of community generated during the first two PCCr meetings. ePCCr was, therefore, organized.
The crystal structure of diclazuril has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Diclazuril crystallizes in space group P21/a (#14) with a = 27.02080(18), b = 11.42308(8), c = 5.36978(5) Å, β = 91.7912(7)°, V = 1656.629(15) Å3, and Z = 4. The crystal structure consists of layers of molecules parallel to the ac-plane. A strong N–H⋯O hydrogen bond links the molecules into dimers along the a-axis with a graph set R2,2(8). The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).
The crystal structure of haloxon has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Haloxon crystallizes in space group P21/n (#14) with a = 19.60382(6), b = 10.05473(3), c = 8.73591(2) Å, β = 92.6617(2)°, V = 1720.088(11) Å3, and Z = 4. The structure consists of discrete molecules. The mean planes of the fused ring systems are approximately 0–11 and 011. The rings form staggered stacks perpendicular to these planes. There are no traditional hydrogen bonds in the structure, but several C–H⋯O and C–H⋯Cl hydrogen bonds contribute to the crystal energy. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).
Hydrogen sulfide (H2S, “sulfide”) is a naturally occurring component of the marine sediment. Eutrophication of coastal waters, however, can lead to an excess of sulfide production that can prove toxic to seagrasses. We used stable sulfur isotope ratio (δ34S) measurements to assess sulfide intrusion in the seagrass Halodule wrightii, a semi-tropical species found throughout the Gulf of Mexico, Caribbean Sea, and both western and eastern Atlantic coasts. We found a gradient in δ34S values (−5.58 ± 0.54‰+13.58 ± 0.30‰) from roots to leaves, in accordance with prior observations and those from other species. The results may also represent the first values reported for H. wrightii rhizome tissue. The presence of sulfide-derived sulfur in varying proportions (15–55%) among leaf, rhizome, and root tissues suggests H. wrightii is able to assimilate sedimentary H2S into non-toxic forms that constitute a significant portion of the plant’s total sulfur content.
“Biotechnology” is defined by the reputed journal Nature Biotech as “[the] technology/methodology of relevance to the biological, biomedical, agricultural and environmental sciences”. Most often, what are defined as biotechnologies are based on the utilisation of cellular or molecular mechanisms for industrial applications, i.e., specific to the recent developments of Western science and livelihoods defined in the capitalist context. However, societies have been using their understanding of biological organisms and systems (biotechnology) to meet various hierarchies of needs (livelihoods) long before western scientists have shaped the understanding of molecular mechanisms. This question invites a wide range of research contributions in which we identify, evaluate and speculate on “what are we missing” in the (western) mainstream definition of biotechnology and design? We invite contributions in “vernacular biotechnologies” that challenge the paradigm that biotechnology and design is a modern discipline practiced by engineers in a laboratory. Vernacular biotechnologies can be common objects that are designed to interface with a living component of everyday life or the environment, and can include work shaped by traditional ecological knowledge (TEK), and/or performed by persons who do not identify as engineers, and/or taking place in non-lab locations such as the kitchen or the field. We also invite critiques of colonial practices in biotechnologies such as biomining or synthetic biology, and their applications.
“Return-to-player” information is used in several jurisdictions to display the long-run cost of gambling, but previous evidence suggests that these messages are frequently misunderstood by gamblers. Two ways of improving the communication of return-to-player information have been suggested: switching to an equivalent “house-edge” format, or via the use of a “volatility warning,” clarifying that the information applies only in the statistical long run. In this study, Australian participants (N = 603) were presented with either a standard return-to-player message, the same message supplemented with a volatility warning, or a house-edge message. The return-to-player plus volatility warning message was understood correctly more frequently than the return-to-player message, but the house-edge message was understood best of all. Participants perceived the lowest chance of winning in the return-to-player plus volatility warning condition. These findings contribute data on the relative merits of two proposed approaches in the design of improved gambling information.
The unfolded protein response has recently been implicated as a mechanism by which 1,10-phenanthroline-containing coordination compounds trigger cell death. We explored the interaction of two such compounds—one containing copper and one containing manganese—with endoplasmic reticulum (ER) stress. Pretreatment with anisomycin significantly enhanced the cytotoxic activity of both metal-based compounds in A2780, but only the copper-based compound in A549 cells. The effects of pretreatment with tunicamycin were dependent on the nature of the metal center in the compounds. In A2780 cells, the cytotoxic action of the copper compound was reduced by tunicamycin only at high concentration. In contrast, in A549 cells the efficacy of the manganese compound cells was reduced at all tested concentrations. Intriguingly, some impact of free 1,10-phenanthroline was also observed in A549 cells. These results are discussed in the context of the emerging evidence that the ER plays a role in the cytotoxic action of 1,10-phenanthroline-based compounds.
The structure of network materials is stochastic. This chapter introduces the minimum set of geometric parameters required to describe the network structure. This set includes the fiber and crosslink densities, the mean segment length, a measure of preferential fiber orientation, and the connectivity index. The relation between the mean segment length and the fiber density is established for two- and three-dimensional networks with cellular and fibrous architectures. The effect of fiber tortuosity, fiber preferential alignment, and excluded volume interactions on the mean segment length are outlined. The statistics of pore sizes in networks of fibrous and cellular types is discussed in terms of the geometric network parameters. The percolation threshold, at which the first connected path forms across the network domain, is discussed for specific methods used to generate the network.
Many Network materials exhibit time-dependent behavior. This chapter begins with a review of essential results from viscoelasticity. Further, the mechanisms leading to network scale time dependence are analyzed in three separate sections. The influence of the fiber material time dependence on the network behavior is discussed first. In networks embedded in a fluidic matrix, the migration of the fluid in and out of the network may produce time dependent mechanical behavior. The basic notions of poroelasticity are presented and the conditions under which this mechanism becomes important for the network-scale mechanics are outlined. Time dependence is also produced by nonbonded fiber interactions. This is an essential component of the mechanics of thermal molecular networks and a section is devoted to this topic. In networks in which crosslinks are transient, such as ionomers and vitrimers, material behavior is strongly time dependent, and a section is dedicated to this issue. Multiple mechanisms act concurrently in applications and identifying their individual contributions is not always easy. A discussion aimed to assist the interpretation of experimental data is included.