Design, synthesis, characterization, in vitro screening, molecular docking, 3D-QSAR, and ADME-Tox investigations of novel pyrazole derivatives as antimicrobial agents

In this work, we report the synthesis of some new pyrazole derivatives via an efficient and practical procedure. The structures of the obtained compounds were established using different spectroscopic techniques...

SHIP MANOEUVRING PREDICTION BASED ON NUMERICAL TOWING TANK TECHNIQUE

A practical procedure is proposed in this paper to predict ship manoeuvrability. A three degrees of freedom MMG (Japanese Manoeuvring Mathematical Modelling Group)-type model is established to simulate rudder manoeuver. Propeller thrust and rudder loads are calculated by empirical formulas, whereas the hull forces as well as moment are determined with hydrodynamic derivatives which are derived from CFD (Computational Fluid Dynamics) computations. An own developed RANS (Reynolds-Averaged Naiver-Stokes) solver on the base of OpenFOAM is applied to simulate a range of PMM (Planar Motion Mechanism) tests and Fourier analyses of the computed results are carried out to obtain the required derivatives. In order to demonstrate the effectivity of the whole procedure and the RANS computations, the US (United States) combatant DTMB 5415 is taken as a sample for an application. Forced motions of surge, sway, yaw and yaw with drift for the bare hull with bilge keels are simulated. Thereafter, simulations of standard rudder manoeuvers, i.e. turning and zigzag, are performed by applying the computed derivatives. The results are compared with available measured data. It has been shown that the present procedure together with the RANS method can be used to evaluate the manoeuvrability of a ship since general good agreements between the simulated results and measured data are achieved.

A novel method for the evaluation of the contamination dispersing ability of lubricants (CONTA-DISP)

Water and solid particulate contamination are the two most common contaminants of lubricated systems and may be highly problematic for these systems. To reduce downtime and prevent failure, lubricant formulations contain detergent and dispersant additives that play an important role in terms of contamination tolerance. In lack of a practical procedure for the determination of the relevant properties, a novel method for the evaluation of the dispersing ability of lubricating oils is introduced. Following and combining established lubricant analysis methods, a procedure with optimum parameters was found. An assessment of the method using fresh and artificially altered lubricating oils allowed a differentiation concerning their dispersing ability.

Average Cost Brownian Drift Control with Proportional Changeover Costs

This paper considers the problem of optimally controlling the drift of a Brownian motion with a finite set of possible drift rates so as to minimize the long-run average cost, consisting of fixed costs for changing the drift rate, processing costs for maintaining the drift rate, holding costs on the state of the process, and costs for instantaneous controls to keep the process within a prescribed range. We show that, under mild assumptions on the processing costs and the fixed costs for changing the drift rate, there is a strongly ordered optimal policy, that is, an optimal policy that limits the use of each drift rate to a single interval; when the process reaches the upper limit of that interval, the policy either changes to the next lower drift rate deterministically or resorts to instantaneous controls to keep the process within the prescribed range, and when the process reaches the lower limit of the interval, the policy either changes to the next higher drift rate deterministically or again resorts to instantaneous controls to keep the process within the prescribed range. We prove the optimality of such a policy by constructing smooth relative value functions satisfying the associated simplified optimality criteria. This paper shows that, under the proportional changeover cost assumption, each drift rate is active in at most one contiguous range and that the transitions between drift rates are strongly ordered. The results reduce the complexity of proving the optimality of such a policy by proving the existence of optimal relative value functions that constitute a nondecreasing sequence of functions. As a consequence, the constructive arguments lead to a practical procedure for solving the problem that is tens of thousands of times faster than previously reported methods.

Urban planning in Russia and international standard for assessing the impact on the environment of BREEAM Communities

Introduction. In order to implement the decisions of the Rio De Janeiro Conference 1992, the Russian President’s Decrees of 04.02.1994 No. 236 “On the State Strategy of the Russian Federation for Environmental Protection and Sustainable Development” and from 01.04.1996 No. 440 “On the Concept of the Transition of the Russian Federation to Sustainable Development” were adopted. The Russian Urban Planning Codes of 1998 and 2005 laid the foundations for sustainable development of the territories in the field of urban planning. The 2005 Russian Urban Planning Code lacks applied provisions, which present all the requirements for urban documentation, and would set out an applied practical procedure for their preparation. This was due to numerous changes of Code. In accordance with the goals and objectives set in Russia to improve the quality and comfort of the living environment, it is necessary to use scientific and educational activities on the development of the territories and improve the specific requirements for urban planning documentation and its assessment to meet legitimate requirements, including foreign ones. Materials and methods. Comparative analysis of regulatory documents, scientific and practical review of information on the topic of urban planning regulation of sustainable development, based on the international assessment method BREEAM, which was developed in 1990 by the British state organization BRE Global. Results. The foundations of Russian and international urban planning regulation for sustainable development are outlined: overview and facts of the international assessment method BREEAM, incl. BREEAM Communities; basics of urban planning and regulation: information on the demand for urban planning, environmental, interdisciplinary technologies. BREEAM Communities certification for interested participants in urban planning activities is a kind of insurance and separation of responsibility of public authorities for approved (agreed) city planning documents. Conclusions. We believe that the method of certification known abroad as BREEAM, i.e. assessing the compliance of both planned and existing facilities and territories to certain requirements, will gain legitimacy and popularity in the Russian Federation. This is due to the adaptation of the international BREEAM assessment to the domestic regulatory framework (BREEAM RU), as well as to the educational programs for the training of BREEAM, including “BREEAM Communities”.

Delay-induced bifurcations in collocated position control of an elastic arm

The interference of the elasticity of a single robotic arm and the unavoidable time delay of its position control is analysed from nonlinear vibrations viewpoint. The simplified mechanical model of two blocks and a connecting spring considers the first vibration mode of the arm, while the collocated proportional-derivative (PD) control uses the state of the first block only and actuates also there. It is assumed that the relevant nonlinearity is the saturation of the delayed control force. The linear stability analysis proves that stabilizable and non-stabilizable parameter regions follow each other periodically even for large spring stiffnesses and for tiny time delays. Hopf bifurcation calculation is carried out after an infinite-dimensional centre manifold reduction, and closed-form algebraic expressions are given for the amplitudes of the emerging oscillations. These results support the experimental tuning of the control gains since the parameters of the arising and often unexpected self-excited vibrations can serve as a guide for this practical procedure.

Facile and innovative catalytic protocol for intramolecular Friedel–Crafts cyclization of Morita–Baylis–Hillman adducts: Synergistic combination of chiral (salen)chromium(III)/BF3·OEt2 catalysis

The chiral (salen)Cr(III)/BF3·OEt2 catalytic combination was found to be an effective catalyst for intramolecular Friedel–Crafts cyclization of electron-deficient Morita–Baylis–Hillman adducts. In presence of mild reaction conditions the chiral (salen)Cr(III)/BF3·OEt2 complex affords 2-substituted-1H-indenes from unique substrates of Morita–Baylis–Hillman adducts via an easy operating practical procedure.

Tectonic and Stratigraphic Evolution Based on Seismic Sequence Stratigraphy: Central Rift Section of the Campos Basin, Offshore Brazil

The rift section of the Brazilian basins represent the sedimentary record associated with the first stages of Gondwana break-up in the Early Cretaceous phase (Berriasian to Aptian). The rift succession of the Campos Basin constitutes one of the main petroleum systems of Brazil’s marginal basins. This interval contains the main source rock and important reservoirs in the Lagoa Feia Group deposits. The Lagoa Feia Group is characterized by siliciclastic, carbonate and evaporite sediments deposited during the rift and post-rift phases. Despite the economic relevance, little is known in stratigraphic terms regarding this rift interval. To date, most studies of the Lagoa Feia Group have adopted a lithostratigraphic approach, while this study proposes a tectonostratigraphic framework for the deep-rift succession of the Campos Basin (Lagoa Feia Group), using the fundamentals of seismic sequence stratigraphy. This work also aims to establish a methodological and practical procedure for the stratigraphic analysis of rift basins, using seismic data and seismofacies, and focusing on tectonicstratigraphic analysis. The dataset comprised 2D seismic lines, core and lithological logs from exploration wells. Three seismic facies were identified based on reflector patterns and lithologic data from well cores, providing an improved subdivision of the pre-, syn- and post-rift stages. The syn-rift stage was further subdivided based on the geometric patterns of the reflectors. Tectonics was the main controlling factor in the sedimentary succession, and the pattern and geometry of the seismic reflectors of the syn-rift interval in the Campos Basin allowed the identification of three tectonic systems tracts: (i) a Rift Initiation Systems Tract; (ii) a High Tectonic Activity Systems Tract and (iii) a Low Tectonic Activity Systems Tract.

Digital Documentation in Architecture

This article presents the ambitious potentialities in the use of digital methods and techniques for the documentation of the Nordic architectural heritage and environment. The processes of knowledge, both theoretical and practical, should not ignore the traces of the past, old buildings and traditional constructions. On the contrary, they should serve as a testimony of the past and provide a solid starting point for new, more coherent, sustainable and harmonic urban development. Since the Venice Charter in 1965 up to the more recent international documents such as the Declaration of Amsterdam in 1975 and the Madrid Document in 2011, both the verification of authenticity and understanding of architectural entities and details are getting more insight because of the current technological advancements. However, the methods for the analysis and following these noble principles and declaration articles is still not defined well enough. Each method and practical procedure with specific instruments produce also specific outputs and results, which need to be put in mutual dialogue in order to obtain useful results. These themes are studied and developed in this article by presenting chosen case studies in research projects both on the urban and singular scale with the location in Oulu, Finland.

A two-nearest-neighbor structure model and analysis of low-expansion Fe–Ni alloys

The main goal of the study is to introduce a two-nearest-neighbor structure model for analyzing low-expansion Fe–Ni alloys. A two-shell atomic structure model is proposed to accurately locate the compositions of the alloy. In the presented model, the Cowley parameters of the alloy short-range ordered structure are considered. The selection of the first-nearest-neighbor cluster is determined, and the number and composition ratio of the second-nearest-neighbor atoms are evaluated by means of the spherical periodic oscillation model. The results show that the developed formula can provide a practical procedure for the composition design of low-expansion Fe–Ni alloys.