Three-Dimensional Molecular Modeling of Bovine Caseins

Three-dimensional (3 -D) structures derived from X-ray crystallography are important in elucidating structure- function relationships for many proteins. However, not all food proteins can be crystallized. The casei ns of bovine milk are one class of non-crysta11izable proteins (a, 1-, K-, and /3-). The complete primary and partial secondary structures of these proteins are known, but homologous proteins of known crystallographic structure cannot be found. Therefore , sequence based predictions of secondary structure were made and adjusted to conform with data from Raman and Fourier-transformed infra- red spectroscopy. With this information, 3-D structures for these caseins were built using the Sybyl molecular modeling programs. The K-casein structure contained two anti-parallel P-sheets which are predominately hydrophobic. The a,1-casein structure also contained a hydrophobic domain composed of .B-sheets as well as a hydrophilic domain ; these two are connected by a segment of ex- helix . Both the K- and a,1-caseins represent unrefined models in that they have been manipulated to remove unrealistic bonds but have not been energy-mini mized . Nevertheless the models account for the tendency of these caseins to associate. The .B-casein model appears to follow a divergent structural pattern. When subjected to energy minimization, it yielded a loosely packed structure with an ax.ial ratio of 2 to I, a hydrophobic C-terminal domain , and a hydrophilic N-terminal end. All three casein structures showed good agreement with literature concerning their global biochemical and physico-chemical properties

Author Correction: A consensus-based transparency checklist.

An amendment to this paper has been published and can be accessed via a link at the top of the paper

A consensus-based transparency checklist

We present a consensus-based checklist to improve and document the transparency of research reports in social and behavioural research. An accompanying online application allows users to complete the form and generate a report that they can submit with their manuscript or post to a public repository

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Differential cross section measurements for the production of a W boson in association with jets in proton–proton collisions at √s = 7 TeV

Measurements are reported of differential cross sections for the production of a W boson, which decays into a muon and a neutrino, in association with jets, as a function of several variables, including the transverse momenta (pT) and pseudorapidities of the four leading jets, the scalar sum of jet transverse momenta (HT), and the difference in azimuthal angle between the directions of each jet and the muon. The data sample of pp collisions at a centre-of-mass energy of 7 TeV was collected with the CMS detector at the LHC and corresponds to an integrated luminosity of 5.0 fb[superscript −1]. The measured cross sections are compared to predictions from Monte Carlo generators, MadGraph + pythia and sherpa, and to next-to-leading-order calculations from BlackHat + sherpa. The differential cross sections are found to be in agreement with the predictions, apart from the pT distributions of the leading jets at high pT values, the distributions of the HT at high-HT and low jet multiplicity, and the distribution of the difference in azimuthal angle between the leading jet and the muon at low values.United States. Dept. of EnergyNational Science Foundation (U.S.)Alfred P. Sloan Foundatio

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One of the ways in which legal services are financed, and indeed shaped, is through private insurance arrangement. Two contrasting types of legal expenses insurance contracts (LEI) seem to dominate in Europe: before the event (BTE) and after the event (ATE) legal expenses insurance. Notwithstanding institutional differences between different legal systems, BTE and ATE insurance arrangements may be instrumental if government policy is geared towards strengthening a market-oriented system of financing access to justice for individuals and business. At the same time, emphasizing the role of a private industry as a keeper of the gates to justice raises issues of accountability and transparency, not readily reconcilable with demands of competition. Moreover, multiple actors (clients, lawyers, courts, insurers) are involved, causing behavioural dynamics which are not easily predicted or influenced. Against this background, this paper looks into BTE and ATE arrangements by analysing the particularities of BTE and ATE arrangements currently available in some European jurisdictions and by painting a picture of their respective markets and legal contexts. This allows for some reflection on the performance of BTE and ATE providers as both financiers and keepers. Two issues emerge from the analysis that are worthy of some further reflection. Firstly, there is the problematic long-term sustainability of some ATE products. Secondly, the challenges faced by policymakers that would like to nudge consumers into voluntarily taking out BTE LEI