The p53 tumor suppressor is widely found to be mutated in human cancer. This protein is regarded as a molecular hub regulating different cell responses, namely cell death. Compelling data have demonstrated that the impairment of p53 activity correlates with tumor development and maintenance. For these reasons, the reactivation of p53 function is regarded as a promising strategy to halt cancer. In the present work, the recombinant mutant p53R280K DNA binding domain (DBD) was produced for the first time, and its crystal structure was determined in the absence of DNA to a resolution of 2.0 Å. The solved structure contains four molecules in the asymmetric unit, four zinc(II) ions, and 336 water molecules. The structure was compared with the wild-type p53 DBD structure, isolated and in complex with DNA. These comparisons contributed to a deeper understanding of the mutant p53R280K structure, as well as the loss of DNA binding related to halted transcriptional activity. The structural information derived may also contribute to the rational design of mutant p53 reactivating molecules with potential application in cancer treatment.

This study presents two alternative methods to determine the cohesive law of bovine cortical bone under mode II loading, employing the End Notched Flexure (ENF) test. The direct method results from the combination of the progress of the mode II strain energy release rate with the crack tip shear displacement, obtained by digital image correlation. The resulting cohesive law is determined by differentiation of this relation relatively to the crack shear displacement. The inverse method employs finite element analyses with cohesive zone modelling, in association with an optimization procedure. The resulting strategy enables determining the cohesive law without establishing a pre-defined shape. The significant conclusion that comes out of this work is that both methods offer consistent results regarding the estimation of the cohesive law in bone. Given that the inverse method dispenses the use of sophisticated equipment to obtain the cohesive law in bone, it can be used as a more convenient procedure to accomplish efficient studies in the context of bone fracture characterization under mode II loading.

Abstract The family 81 glycoside hydrolase (GH81) from Clostridium thermocellum is a β-1,3-glucanase belonging to cellulosomal complex. The gene encoding \{GH81\} from Clostridium thermocellum (CtLam81A) was cloned and expressed displaying a molecular mass of  82 kDa. CtLam81A showed maximum activity against laminarin (100 U/mg), followed by curdlan (65 U/mg), at pH 7.0 and 75 °C. CtLam81A displayed Km, 2.1 ± 0.12 mg/ml and Vmax, 109 ± 1.8 U/mg, against laminarin under optimized conditions. CtLam81A activity was significantly enhanced by Ca2+ or Mg2+ ions. Melting curve analysis of CtLam81A showed an increase in melting temperature from 91 °C to 96 °C by Ca2+ or Mg2+ ions and decreased to 82 °C by EDTA, indicating that Ca2+ and Mg2+ ions may be involved in catalysis and in maintaining structural integrity. \{TLC\} and MALDI-TOF analysis of β-1,3-glucan hydrolysed products released initially, showed β-1,3-glucan-oligosaccharides degree of polymerization (DP) from \{DP2\} to DP7, confirming an endo-mode of action. The catalytically inactive mutant CtLam81A-E515A generated by site-directed mutagenesis was co-crystallized and tetragonal crystals diffracting up to 1.4 Å resolution were obtained. CtLam81A-E515A contained 15 α-helices and 38 β-strands forming a four-domain structure viz. a β-sandwich domain I at N-terminal, an α/β-domain II, an (α/α)6 barrel domain III, and a small 5-stranded β-sandwich domain IV.

The functional and biological significance of the selected CASP12 targets are described by the authors of the structures. The crystallographers discuss the most interesting structural features of the target proteins and assess whether these features were correctly reproduced in the predictions submitted to the CASP12 experiment. This article is protected by copyright. All rights reserved.

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The cyclic shift graph of a monoid is the graph whose vertices are elements of the monoid and whose edges link elements that differ by a cyclic shift. For certain monoids connected with combinatorics, such as the plactic monoid (the monoid of Young tableaux) and the sylvester monoid (the monoid of binary search trees), connected components consist of elements that have the same evaluation (that is, contain the same number of each generating symbol). This paper discusses new results on the diameters of connected components of the cyclic shift graphs of the finite-rank analogues of these monoids, showing that the maximum diameter of a connected component is dependent only on the rank. The proof techniques are explained in the case of the sylvester monoid.

http://docentes.fct.unl.pt/lblm/files/jiengchem-2017-54-341.pdf

In this paper an interoperability solution is proposed, aiming to go from (building) construction models to energy simulation. Moreover, the energy simulation results will feed the KPI’s analysis of a designed building. The proposed solution will be used to translate different data formats allowing the communication between different systems in an automated environment. The solution presented in this paper exploits the concept of Plug’n’Interoperate (PnI), that is supported by the principle of self-configuration as to automate, as much as possible, the configuration and participation of systems into a shared interoperability environment. In order to validate this approach two different scenarios were taken into account, translating from a CAD (Computer- Aided Design) model data format to an energy simulation data format.

In this note, we consider the semigroup $O(X)$ of all order endomorphisms of an infinite chain $X$ and the subset $J$ of $O(X)$ of all transformations $\alpha$ such that $|Im(\alpha)|=|X|$. For an infinite countable chain $X$, we give a necessary and sufficient condition on $X$ for $O(X) = < J >$ to hold. We also present a sufficient condition on $X$ for $O(X) = < J >$ to hold, for an arbitrary infinite chain $X$.