Modelling the structure of latexin-carboxypeptidase A complex based on chemical cross-linking and molecular docking

We have determined the three-dimensional structure of the protein complex between latexin and carboxypeptidase A using a combination of chemical cross-linking, mass spectrometry and molecular docking. The locations of three intermolecular cross-links were identified using mass spectrometry and these constraints were used in combination with a speed-optimised docking algorithm allowing us to evaluate more than 3 x 10(11) possible conformations. While cross-links represent only limited structural constraints, the combination of only three experimental cross-links with very basic molecular docking was sufficient to determine the complex structure. The crystal structure of the complex between latexin and carboxypeptidase A4 determined recently allowed us to assess the success of this structure determination approach. Our structure was shown to be within 4 angstrom r.m.s. deviation of C alpha atoms of the crystal structure. The study demonstrates that cross-linking in combination with mass spectrometry can lead to efficient and accurate structural modelling of protein complexes.

The Complex Unified Evolutionary Approach to the Creation of the Multilevel Distributed Control System of a Gas-transport Company

The objects of a large-scale gas-transport company (GTC) suggest a complex unified evolutionary approach, which covers basic building concepts, up-to-date technologies, models, methods and means that are used in the phases of design, adoption, maintenance and development of the multilevel automated distributed control systems (ADCS).. As a single methodological basis of the suggested approach three basic Concepts, which contain the basic methodological principles and conceptual provisions on the creation of distributed control systems, were worked out: systems of the lower level (ACS of the technological processes based on up-to-date SCADA), of the middle level (ACS of the operative-dispatch production control based on MES-systems) and of the high level (business process control on the basis of complex automated systems ERP).

Hydrophenylation of internal alkynes with boronic acids catalysed by a Ni–Zn hydroxy double salt-intercalated anionic rhodium(III) complex

[Rh(OH)6]3− intercalated Ni–Zn mixed basic salt (Rh/NiZn) acts as an efficient catalyst for the hydrophenylation of internal alkynes with arylboronic acids under mild conditions. The turnover number per Rh site approached 740 in the reaction between 4-octyne and phenylboronic acid. The catalytic monomeric Rh(III) complex is stabilised within the NiZn interlayers, attributable to a strong electrostatic interaction, promoting its re-use.

Tamed and Compatible Symplectic Forms on Four-Dimensional Almost Complex Lie Algebras

We are able to give a complete description of four-dimensional Lie algebras g which satisfy the tame-compatible question of Donaldson for all almost complex structures J on g are completely described. As a consequence, examples are given of (non-unimodular) four-dimensional Lie algebras with almost complex structures which are tamed but not compatible with symplectic forms.? Note that Donaldson asked his question for compact four-manifolds. In that context, the problem is still open, but it is believed that any tamed almost complex structure is in fact compatible with a symplectic form. In this presentation, I will define the basic objects involved and will give some insights on the proof. The key for the proof is translating the problem into a Linear Algebra setting. This is a joint work with Dr. Draghici.

Detecting conflictive cultural factors in complex scenarios of intervention: Military and local actors in interaction

The integration of cultural elements into the operational planning process is a complex task that requires practical and theroretical tools for a wide comprehension of the context to help solve the problem. This article shows the results of an empirical research which presents conflicting cultural factors as the starting point for the construction of mediating structures. The main result of our research is a partial cognitive structure, a system of ideas, represented in a template listing the basic conflictive factors at the tactical level that military could find in the development of their tasks. The template is also a valuable aid to design military training curricula and to be applied to any post-conflict stability operation in complex environments resulting from irregular or asymmetric conflicts.

Large-scale neural dynamics: simple and complex

We review the use of neural field models for modelling the brain at the large scales necessary for interpreting EEG, fMRI, MEG and optical imaging data. Albeit a framework that is limited to coarse-grained or mean-field activity, neural field models provide a framework for unifying data from different imaging modalities. Starting with a description of neural mass models we build to spatially extended cortical models of layered two-dimensional sheets with long range axonal connections mediating synaptic interactions. Reformulations of the fundamental non-local mathematical model in terms of more familiar local differential (brain wave) equations are described. Techniques for the analysis of such models, including how to determine the onset of spatio-temporal pattern forming instabilities, are reviewed. Extensions of the basic formalism to treat refractoriness, adaptive feedback and inhomogeneous connectivity are described along with open challenges for the development of multi-scale models that can integrate macroscopic models at large spatial scales with models at the microscopic scale.

Quality concerns in large-scale and complex software-intensive systems

Software quality management (SQM) is the collection of all processes that ensure that software products, services, and life cycle process implementations meet organizational software quality objectives and achieve stakeholder satisfaction. SQM comprises three basic subcategories: software quality planning, software quality assurance (SQA), and software quality control and software process improvement. This chapter provides a general overview of the SQA domain and discuss the related concept. A conceptual model for software quality framework is provided together with the current approaches for SQA. The chapter concludes with some of the identified challenges and future challenges regarding SQA.

From the Humpata Plateau to Namibe Desert, SW Angola

After the Congress, a six-day field trip, will be held through three southwestern provinces of Angola (Huíla, Namibe and Cunene), every day starting and ending in the city of Lubango, for overnight stay in Lubango, with the purpose to observe some of the main sites of geological interest in this zone of Angola. The itinerary of this field trip presents the geologic history of Southwestern Angola and its evolution in the scope of the Congo Craton, through a trip that begins in the first excursion days by the oldest geologic formations and phenomena until the recent geologic formations and phenomena on the last excursion days. On the first and second excursion days, September 5th and September 6th, the field trip will go along the Kunene Anorthosite Complex of Angola (KAC), to observe some petrographic features of the KAC that are important to understand the emplacement of this huge igneous massif of the early Kibarean age. These days of the field trip allow the observation of Earthen Construction, because this region of Cunene is privileged to appreciate a kind of Eco-construction, made of raw earth and in wattle and daub, built with ancient techniques, which constitute a real GeoHeritage. On September 7th, in the morning, the destination will be Tundavala, to visit Tundavala Gap, a huge escarpment of more than 1,000 m high cutted in Neo-Archean and Paleo-Proterozoic igneous rocks, the Ruins of Tundavala (quartzite blocks with sedimentary structures) and Tundavala Waterfalls on a quartzitic scarp. After lunch, the field trip continues towards Humpata plateau to observe the panoramic view over Lubango city from the Statue of Cristo Rei, then the outcrops of dolomitic limestones with stromatolites and dolerites and finally the Leba passage, a huge escarpment and one of the most spectacular parts of the Serra da Chela, traversed by a mountain road built in the early 70s of the last century, that can be observed from the belvedere of the Serra da Chela. On September 8th, the destination is the carbonatite complexes of Tchivira and Bonga, belonging to the Mesozoic alkaline massifs of ultrabasic rocks, a rift valley system that occurs during the Early Cretaceous. In this forth excursion day, due to the huge dimensions of these two carbonatite structures it will be visited, only, the Complex of Bonga, namely the outcrops of the northern part of the structure and secondary deposits on the boundary on the southern part of the of the Complex. The last two excursion days, September 9th and September 10th, are to observe the Cretaceous Basin of Namibe. On September 9th, the northern part of Namibe Basin will be visited to observe the volcanic basic rocks of Namibe as well as the interesting paleontological site of Bentiaba. On September 10th, the destination is the southern and more recent part of Namibe Basin, where on the Namib Desert, the exotic plant Welwitschia mirabilis can be observed, as well as Arco, an oasis in the desert. This last excursion day, ends up at the dunes of Tombwa near the mouth of Curoca river and the beautiful bay of Tombwa, where can be observed heavy minerals in their beach sands.

Raman spectroscopy of some complex arsenate minerals—implications for soil remediation

The application of spectroscopy to the study of contaminants in soils is important. Among the many contaminants is arsenic, which is highly labile and may leach to non-contaminated areas. Minerals of arsenate may form depending upon the availability of specific cations for example calcium and iron. Such minerals include carminite, pharmacosiderite and talmessite. Each of these arsenate minerals can be identified by its characteristic Raman spectrum enabling identification.