Zinc and cadmium complexes of pyridyl-benzotriazole: Syntheses, structures and supramolecular interaction

Five novel complexes with two pyridine substituted benzotriazole ligands, 1-(2-pyridyl)benzotriazole (L1) and 1-(4-pyridyl)benzotriazole (L2), [Zn(L1)₂Cl₂] (1), [{Zn(L1)₂Cl₂}·(L1)₂] (2), [Zn(L2)₂Cl₂] (3), [{Zn(L2)(H₂O)₃(μ₂-SO₄)}·H₂O] (4), and [{Cd(L2)(H₂O)₃(μ₂-SO₄)}·H₂O] (5) were synthesized. The details of the structures were characterized by X-ray single crystal analysis, revealing that these complexes were assembled together via supramolecular interaction, such as, hydrogen bonding and π-π interactions. The influence of organic ligands, anions and reaction conditions in the formation of the complexes were investigated.     

Report of the First Workshop on the Genetic Map of Bovine Chromosome 23

A report of the first workshop on the genetic map of bovine chromosome 23 (BTA23) is given. Five laboratories contributed data from 29 loci, including a total 11586 informative genotypes. The combined pedigrees represented 1930 potentially informative meioses. Eighteen of the 29 loci were common to two or more data sets and were used to construct a framework linkage map of BTA23. Twelve of the 18 could be ordered on the linkage map with a likelihood ratio of greater than 1000:1. Thus, a low resolution consensus map was constructed with a high level of support for order. The sex-averaged, female and male maps span 54.5, 52.7 and 55.8 cM, respectively. Sex-specific differences in recombination frequency were identified for eight pairs of framework loci. Average genetic distance between framework loci on the sex-averaged map is 5.0 cM.     

Lyapunov functions for Lotka–Volterra predator–prey models with optimal foraging behavior

 The theory of optimal foraging predicts abrupt changes in consumer behavior which lead to discontinuities in the functional response. Therefore population dynamical models with optimal foraging behavior can be appropriately described by differential equations with discontinuous right-hand sides. In this paper we analyze the behavior of three different Lotka–Volterra predator–prey systems with optimal foraging behavior. We examine a predator–prey model with alternative food, a two-patch model with mobile predators and resident prey, and a two-patch model with both predators and prey mobile. We show that in the studied examples, optimal foraging behavior changes the neutral stability intrinsic to Lotka–Volterra systems to the existence of a bounded global attractor. The analysis is based on the construction and use of appropriate Lyapunov functions for models described by discontinuous differential equations. Received: 23 March 1999     

Digital by design approach to develop a universal deep learning AI architecture for automatic chromatographic peak integration

Chromatographic data processing has garnered attention due to multiple Food and Drug Administration 483 citations and warning letters, highlighting the need for a robust technological solution. The healthcare industry has the potential to greatly benefit from the adoption of digital technologies, but the process of implementing these technologies can be slow and complex. This article presents a “Digital by Design” managerial approach, adapted from pharmaceutical quality by design principles, for designing and implementing an artificial intelligence (AI)-based solution for chromatography peak integration process in the healthcare industry. We report the use of a convolutional neural network model to predict analytical variability for integrating chromatography peaks and propose a potential GxP framework for using AI in the healthcare industry that includes elements on data management, model management, and human-in-the-loop processes. The component on analytical variability prediction has a great potential to enable Industry 4.0 objectives on real-time release testing, automated quality control, and continuous manufacturing.     

Development of a Fish Based Lake Typology for Natural Austrian Lakes >50 ha Based on the Reconstructed Historical Fish Communities

Based on the reconstructed native fish communities all natural Austrian lakes >50 ha (n = 43) were classified into four groups using cluster analysis methods. Sentinel species (i.e. species with highest discriminating value for lake types and characteristic for a specific lake group) and type specific fish species (accompanying species with additional value for characterising lake groups) were defined by a newly developed index and by similarity analysis. The first group included 16 lakes of high altitude, small surface area and low fish species number with arctic char as a sentinel species. The second group (n = 10) was characterized by intermediate altitude, large surface area and high maximum water depth with the minnow as sentinel species. The third group contained 14 lakes with low maximum water depths and a long retention time. For this group the bleak was found as a sentinel species. The lakes of the eastern part of Austria represented the last group (n = 3) and were characterized by low altitude and very shallow water depth with pike‐perch as a sentinel species. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Germline humanization of a non-human primate antibody that neutralizes the anthrax toxin, by in vitro and in silico engineering

Fab 35PA₈₃ is an antibody fragment of non-human primate origin that neutralizes the anthrax lethal toxin. Human antibodies are usually preferred when clinical use is envisioned, even though their framework regions (FR) may carry mutations introduced during affinity maturation. These hypermutations can be immunogenic and therefore FR that are encoded by human germline genes, encountered in IgMs and thus part of the “self” proteins, are preferable. Accordingly, the proportion of FR residues in 35PA₈₃ that were encoded by human V and J germline genes, i.e. the germinality index (GI) of 35PA₈₃, was increased in a multistep cumulative approach. In a first step, the FR1 and FR4 residues of 35PA₈₃ were changed simultaneously into their counterparts coded by 35PA₈₃'s closest human germline genes, without prior modelling. The resulting derivative of 35PA₈₃ had the same affinity as its parental Fab. In a second step, the 3D structures of this first 35PA₈₃ derivative, carrying the same type of residue changes but in the FR2 and FR3 regions, were modelled in silico from sequences. Some of the changes in FR2 or FR3 modified the predicted peptide backbone. The changes that did not seem to alter the structure were introduced simultaneously in the Fab by an in vitro method and resulted in a loss of reactivity, which could however be fully restored by a single point mutation. The final 35PA₈₃ derivative had a GI higher than that of a fully human Fab, which had neutralization properties similar to 35PA₈₃ and which was used as a benchmark in this study.     

Life-history strategies in freshwater macroinvertebrates

• 1 Explaining spatial and temporal differences in species assemblages is a central aim of ecology. It requires a sound understanding of the causal mechanisms underlying the relationship of species with their environment. A species trait is widely acknowledged to be the key that links pattern and process, although the enormous variety of traits hampers generalization about which combination of traits are adaptive in a particular environment.
• 2 In three steps, we used species traits to match species and environment, and chose lentic freshwater ecosystems to illustrate our approach. We first identified key environmental factors and selected the species traits that enable the organism to deal with them. Secondly, we investigated how investments in these traits are related (e.g. through trade‐offs). Thirdly, we outlined 13 life‐history strategies, based on biological species traits, their interrelations known from life‐history theory and their functional implications.
• 3 Species traits and environmental conditions are connected through life‐history strategies, with different strategies representing different solutions to particular ecological problems. In addition, strategies may present an integrated response to the environment as they are based on many different traits and their interrelationships. The presence and abundance of (species exhibiting) different life‐history strategies in a location may therefore give direct information about how a particular environment is experienced by the species present.
• 4 Life‐history strategies can be used to (i) explain differences in species assemblages either between locations or in different periods; (ii) compare waterbodies separated by large geographical distances, which may comprise different regional species pools or span species distribution areas and (iii) reduce often very complex, biodiverse assemblages into a few meaningful, easily interpretable relationships.

     

Isolation and cloning of a conotoxin with a novel cysteine pattern from Conus caracteristicus

A new conotoxin, ca16a, containing 8 cysteine residues was purified, sequenced, and cloned from a worm-hunting snail, Conus caracteristicus. This conotoxin is an extremely hydrophilic peptide comprising 34 residues, with 4 acidic and 4 basic residues. It is rich in polar Gly, Ser, and Thr residues and includes a hydroxylated Pro residue. The cysteine arrangement pattern of ca16a (-C-C-CC-C-CC-C-, designated as framework #16) is distinct from that of other known conotoxins. Furthermore, the signal peptide sequence of this conotoxin does not share any homology with those of other conotoxins. Leu residues account for almost 50% of its 20-residue signal peptide. The unique cysteine framework and signal peptide sequence of ca16a suggest that it belongs to a new conotoxin superfamily.     

生态系统健康评价——概念构架与指标选择

在探讨生态系统健康概念构架的基础上,寻求对管理景观中的生态系统健康进行整体性评价的合适指标.健康的生态系统不仅在生态学意义上是健康的,并能维持健康的人类群体及有利于社会经济的发展.健康生态系统的一般特征是恢复力、多样性和生产力.建立生态系统健康评价指标的第一步是指标选择原则的确定,根据生态系统健康评价的目的和指标筛选的原则,把生态系统健康指标体系(Ecosystem Health Indicaror,EHI)分为生物物理指标、生态学指标和社会经济指标.