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Search results for: DENSITY FUNCTIONAL THEORY
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Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety
PublicationFour sulfonamide derivatives with a methoxyphenyl moiety, namely N-{4-[(2-methoxyphenyl)sulfamoyl] phenyl}acetamide (1a), N-{4-[(3-methoxyphenyl)sulfamoyl]phenyl}acetamide (1b), 4-amino-N-(2- methoxyphenyl)benzenesulfonamide (2a) and 4-amino-N-(3-methoxyphenyl)benzenesulfonamide (2b), have been synthesized and characterized physiochemically by CHNS, MS, FT-IR, 1H NMR, 13C NMR, PXRD and TG methods. Crystal structures were determined...
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Fracture Surface Behavior of 34CrNiMo6 High-Strength Steel Bars with Blind Holes under Bending-Torsion Fatigue
PublicationThe present study evaluates the fracture surface response of fatigued 34CrNiMo6 steel bars with transverse blind holes subjected to bending with torsion loading. The analysis of the geometric product specification was performed by means of height parameters Sx, functional volume parameters Vx, and fractal dimension Df. Surface topography measurements were carried out using an optical profilometer with focus variation technology....
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Interactions of telomeric proteins with nucleic acids: sequence recognition on intact and oxidatively damaged telomeres
PublicationTelomeres are complex nucleoprotein assemblies that play a vital role in the maintenance of functional ends of linear chromosomes. Telomeric DNA, composed of tandem repeats of the 5'-TTAGGG-3' motif, solves the so-called end replication problem: as chromosomes shorten with each cell division, no information is lost, and the telomere can be re-extended. In the cell, many protein factors regulate telomere length, nuclear positioning...
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Applications of Additively Manufactured Tools in Abrasive Machining—A Literature Review
PublicationHigh requirements imposed by the competitive industrial environment determine the development directions of applied manufacturing methods. 3D printing technology, also known as additive manufacturing (AM), currently being one of the most dynamically developing production methods, is increasingly used in many different areas of industry. Nowadays, apart from the possibility of making prototypes of future products, AM is also used...
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Biomass-Derived Nitrogen Functionalized Carbon Nanodots and Their Anti-Biofouling Properties
PublicationThe prevalence of the antibiotic resistant bacteria remains a global issue. Cheap, sustainable and multifunctional antibacterial membranes are at the forefront of filtrating materials capable of treating multiple flow streams, such as water cleansing treatments. Carbon nanomaterials are particularly interesting objects shown to enhance antibacterial properties of composite materials. In this article, amino-functionalized, photoluminescent...
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The Multiplatform Environment for Simulation and Features Estimation of Mixed-Signal Devices
PublicationThe use of simulation laboratories is gaining popularity in thedomains of engineering programs. However, the experience in teaching showsthat the simulation itself is not very effective in didactic processes. Teachingprocesses in thefield of specialist subjects, designed for students of technicaluniversities, should be based on direct operations performed by the student onreal devices. At the same time, at the later stages of didactic...
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Novel Biomass-Based Polymers: Synthesis, Characterization, and Application
PublicationA wide range of polymers were prepared from biomass-derivatives, using different polymerization mechanisms. Well-defined, fully hydroxy-functional polyesters based on aliphatic diols were synthesized, using either conventional metal-based catalysts or the organic superbase 1,5,7-triazabicyclododecene (TBD). Unsaturated polyesters were also made, offering additional functionality to these biobased resins. Metal-catalyzed or enzymatic...
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Diagnostic system of wheeled tractors detecting four defect's categories
PublicationIn a classical approach to damage diagnosis, the technical condition of an analyzed machine is identified based on the measured symptoms, such as performance, thermal state or vibration parameters. In wheeled tractor the fundamental importance has monitoring and diagnostics during exploitation concerning technical inspection and fault element localizations. The main functions of a diagnostic system are: monitoring tractor components...
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In Silico Safety Assessment of Bacillus Isolated from Polish Bee Pollen and Bee Bread as Novel Probiotic Candidates
PublicationBacillus species isolated from Polish bee pollen (BP) and bee bread (BB) were characterized for in silico probiotic and safety attributes. A probiogenomics approach was used, and in-depth genomic analysis was performed using a wide array of bioinformatics tools to investigate the presence of virulence and antibiotic resistance properties, mobile genetic elements, and secondary metabolites. Functional annotation and Carbohydrate-Active...
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Smooth least absolute deviation estimators for outlier-proof identification
PublicationThe paper proposes to identify the parameters of linear dynamic models based on the original implementation of least absolute deviation estimators. It is known that the object estimation procedures synthesized in the sense of the least sum of absolute prediction errors are particularly resistant to occasional outliers and gaps in the analyzed system data series, while the classical least squares procedure unfortunately becomes...
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Holistic collision avoidance decision support system for watchkeeping deck officers
PublicationThe paper presents a 3-stage synthesis-based Decision Support System for watchkeeping deck officers. Its functional scope covers conflict detection, maneuver selection, and maneuver execution, all phases supplemented by collision alerts. First, a customized elliptic ship domain is used for checking if both OS and TS will have enough free space. A survey-based navigators’ declarative OS arena is then used to determine the time at...
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Synthesis of Trehalose by the Erythritol-Producing Yeast Yarrowia lipolytica Co-Displaying Maltooligosyltrehalose Synthase and Maltooligosyltrehalose Trehalohydrolase
PublicationIndustrial trehalose production faces economic challenges with costly enzyme preparations, prompting the exploration of eco-friendly alternatives. Here, we established a coupled functional sugar production line leveraging erythritolproducing cells as an innovative enzyme preparation for trehalose synthesis. The erythritol-producing Yarrowia lipolytica was modified to express a fusion protein consisting of maltooligosyltrehalose synthase...
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Physicochemical and Volatile Compounds Analysis of Fruit Wines Fermented with Saccharomyces cerevisiae: FTIR and Microscopy Study with Focus on Anti-Inflammatory Potential
PublicationThe growing trend in fruit wine production reflects consumers’ interest in novel, diverse drinking experiences and the increasing demand for healthier beverage options. Fruit wines made from kiwi, pomegranates, and persimmons fermented using S. bayanus Lalvin strain EC1118 demonstrate the versatility of winemaking techniques. Kiwifruit, persimmon, and pomegranate wines were analyzed using HPLC and GC-TOFMS analyses to determine...
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Comparative Analysis of the Cofee and Cocoa Industry By‑Products on the Performance of Polyethylene‑Based Composites
PublicationThe application of plant-based by-products from the food industry as minimally processed functional fillers for polymeric composites is an increasingly popular trend among researchers and manufacturers. While minimizing the preprocessing of lignocellulosic fillers leads to an increase in the sustainability of the overall composite and a decrease of the carbon footprint, filler modification is usually indispensable to obtaining...
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Contemporary bottom-up tools for public spaces activation. Współczesne oddolne narzędzia aktywizacji przestrzeni publicznych
PublicationThis article attempts to figure out the current understanding of public spaces and the contemporary tools for bottom-up activation of public spaces to make them more friendly and functional. The paper investigates contemporary public spaces' challenges and what tools can be used to improve them. In this research, the main issue will be the question: what kind of tools and actions can be offered to maintain the quality of public...
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The supramolecular organization of self-assembling chlorosomal bacteriochlorophyll c, d, or e mimics
PublicationBacteriochlorophylls (BChls) c, d, and e are the main light-harvesting pigments of green photosynthetic bacteria that self-assemble into nanostructures within the chlorosomes forming the most efficient antennas of photosynthetic organisms. All previous models of the chlorosomal antennae, which are quite controversially discussed because no single crystals could be grown so far from these organelles, involve a strong hydrogen-bonding...
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Structural and Transportation Properties of Strontium Titanate Composites with Ion Conductive Oxides
PublicationThis paper has been written based on the author’s doctoral dissertation “Structural and transportation properties of strontium and titanate composites with ion conductive oxides”, prepared under the supervision of Prof. Dr. Hab. Eng. Bogusław Kusz at the Department of Solid State Physics of Gdańsk University of Technology. It reports the idea of the thesis and conclusions from the study. Niobium doped strontium titanate (Sr(Ti,Nb)O3)...
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Closing the loop: Upcycling secondary waste materials into nanoarchitectured carbon composites for the electrochemical degradation of pharmaceuticals
PublicationIn this study, we demonstrated the application of electrochemical oxidation as a safer and cleaner technology for minimizing the impact of pharmaceuticals in wastewaters, simultaneously mediated by upcycled secondary waste materials (SWMs)-derived electrodes, to further reduce their environmental impact. The modularity, scalability, ease of operation and reliability make electrochemical oxidation an ideal process for the destruction...
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Justyna Signerska-Rynkowska dr inż.
PeopleI am currently an assistant professor (adjunct) at Gdansk University of Technology (Department of Differential Equations and Mathematics Applications). My scientific interests include dynamical systems theory, chaos theory and their applications to modeling of biological phenomena, especially to neurosciences. In June 2013 I completed PhD in Mathematics at the Institute of Mathematics of Polish Academy of Sciences (IMPAN) (thesis...
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Entrepreneurial Intentions of Students in Poland in the View of Ajzen’s Theory of Planned Behaviour
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Theory and Practice of Coarse-Grained Molecular Dynamics of Biologically Important Systems
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Application of Game Theory against Nature in Supporting Bid Pricing in Construction
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Application of the Regional Security Complex Theory for Security Analysis in the Persian Gulf
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Superconducting Energy Gap in Hole-Doped Graphene Beyond the Migdal's Theory
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Some remarks on problem of site characterisation - a subjective experience on theory and practice
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Modelling Negotiations of Construction Subcontract based on a Game Theory – Results of an Experiment
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Salience theory and the cross-section of stock returns: International and further evidence
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Theory and implementation of a virtualisation level Future Internet defence in depth architecture
PublicationAn EU Future Internet Engineering project currently underway in Poland defines three parallel internets (PIs). The emerging IIP system (IIPS, abbreviating the project’s Polish name), has a four-level architecture, with level 2 responsible for creation of virtual resources of the PIs. This paper proposes a three-tier security architecture to address level 2 threats of unauthorised traffic injection and IIPS traffic manipulation...
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Usefulness of the Free Length Theory for assessment of the self-association of the pure solvents
PublicationWykonano pomiary szybkości rozchodzenia się dźwięku i gęstości metanolu, acetonitrylu, N,N-dimetyloformamidu, N,N-dimetyloacetamidu, dimetylosulfotlenku i fosforanu trietylu w zakresie temperatur 294 - 333 K . W oparciu o wyznaczone ściśliwości adiabatyczne zastosowano teorię FLT do oceny wzajemnej asocjacji cząsteczek. Uzyskane wyniki przedyskutowano na tle innych sposobów klasyfikacji rozpuszczalników.
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DETERMINATION OF SEAKEEPING PERFORMANCE FOR A CASE STUDY VESSEL BY THE STRIP THEORY METHOD
PublicationThe increase of seakeeping performance is of particular importance for car and passenger ferries, service ships in the gas and oil extraction industry and offshore wind power farm industry, as well as for special purpose ships (including military applications). In the water areas of the Baltic Sea, North Sea, and Mediterranean Sea, which are characterised by a short and steep wave, the hull shape has a substantial impact on the...
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Representation of magnetic hysteresis in tape wound core using Preisach's theory
PublicationW referacie przedstawiono model matematyczny histerezy magnetycznej w ujęciu klasycznej teorii Preisacha. Dokonano implementacji skalarnego modelu Preisacha w odniesieniu do rdzenia zwijanego z taśmy typu ET114-27. Do symulacji różnych stanów magnetycznych rdzenia wykorzystano jedynie dane z pomiarów głównej pętli histerezy. Wyznaczono funkcję Everetta i funkcję dystrybucji Preisacha badanego rdzenia. Uzyskano ogólnie dobrą zgodność...
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On mixed states entanglement and quantum communication: aspects of quantum channels theory
PublicationDokonano przeglądu związków miedzy stanami kwantowymi oraz kwantowymi kanałami. Wykazano, że istnienie nietypowych korelacji kwantowych (splątanie związane typu NPT) w pewnych sytuacjach pociąga za sobą nieaddytywność pojemności kanałów kwantowych.
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Design of synchronous generator voltage regulator based on H control theory
PublicationSystemy dużej mocy są z reguły systemami o dużej nieliniowości. Wynika to z dynamiki takiego obiektu jak również jego konfiguracji itd. Istnieje wiele metod umożliwiających sterowanie czy testowanie zaprojektowanych generatorów. W artykule analizowana jest metoda projektowania regulatora napięcia w oparciu o H. Wyniki symulacji są zadowalające, ponieważ tak zaprojektowany regulator lepiej tłumi kołysania elektromechaniczne niż...
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Design of synchronous generator voltage regulator based on h control theory
PublicationThe power system is highly nonlinear system, which dynamics depends on system network configuration, system loading…etc. To overcome the above mentioned difficulties and to fulfill the performance requirements the different control methods are considered and tested for application to generating control unit. Application of the H optimization method to automatic voltage regulator is studied in this paper. Simulation results have...
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Convergence of expansions in Schrödinger and Dirac eigenfunctions, with an application to the R-matrix theory
PublicationW pracy zbadano właściwości rozwinięć w szeregi funkcji własnych dla zagadnień Schrödingera i Diraca. Potwierdzono obserwacje poczynione wcześniej przez Rosenthala oraz przez Szmytkowskiego i Hinze, że szereg funkcyjny występujący w teorii R-macierzy dla cząstek Diraca w ogólności nie zbiega do funkcji ciągłej.
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ENERGY ANALYSIS OF PROPULSION SHAFT FATIGUE PROCESS IN ROTATING MECHANICAL SYSTEM PART I TESTING SIGNIFICANCE OF INFLUENCE OF SHAFT MATERIAL FATIGUE EXCITATION PARAMETERS
PublicationThe article discusses the problem of mathematical modelling of energy conversion processes in a rotating mechanical system for the purpose of identifying fatigue states of propulsion shafts in this system. A simplified physical model of the analysed system, constructed in an appropriate scale, has made the basis for the experimental research. The research programme took into consideration mechanical fatigue excitation of the model...
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Cast iron in the 19th-century building equipment
PublicationCast iron is a material, characteristics of which enable to receive extremely artistic elements. It maintains good strength properties at the same time. That combination of these seemingly contrary traits makes it a commodity that was widely used in the 19th century industry and architecture. These usages were not only as decorative elements, technical and structural ones. The production of new household utilities started, which...
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An overview of the strategies for the deammonification process start-up and recovery after accidental operational failures
PublicationThe deammonification process has been universally acknowledged as an energy-efficient technology for sewage disposal. In contrast with traditional biological nitrogen removal technology, the deammonification process is able to remove ammonia from wastewater with the simplest nitrogen removal process because of its advantages of lower operating expenses, no organic carbon consumption, lower biomass production, lower carbon dioxide...
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Planning the City Against Barriers. Enhancing the Role of Public Spaces
PublicationContemporary cities are being fragmented by growing number of technical barriers like roads, railways, infrastructural objects, that generate variety of problems of different nature. The aim of the research is to present the issues connected with such barriers in the city and the ways of solving them. Main problems are e.g.: the destruction of the complexity of urban fabric, functional disadvantages, environmental and landscape...
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Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea
Publication1-Benzoylthioureas contain both carbonyl and thiocarbonyl functional groups and are of interest for their biological activity, metal coordination ability and involvement in hydrogen-bond formation. Two novel 1-benzoylthiourea derivatives, namely 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea, C₁₆H₁₆N₂O₃S, (I), and 1-benzoyl-3-(2-hydroxypropyl)thiourea, C₁₁H₁₄N₂O₂S, (II), have been synthesized and characterized. Compound (I) crystallizes...
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Novel primosomal protein B from Clostridium pastuerianum
PublicationPriB is a primosomal protein that catalyzes DNA replication in Procaryota. The replication pathway starts with PriA protein - the initiator protein that binds to a DNA replication fork, unwinds double-stranded DNA and role of PriB is to stabilize PriA on the DNA. However there are many biochemical differences in replication mechanism in bacteria and only some of them use PriB proteins. A few of PriB proteins were published and...
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Universal autonomous control and management system for multipurpose unmanned surface vessel
PublicationThe paper presents design, structure and architecture of the Universal Autonomous Control and Management System (UACAMS) for multipurpose unmanned surface vessel. The system was designed, installed and implemented on the multipurpose platform - unmanned surface vessel named HydroDron. The platform is designed to execute hydrographic survey missions with multi-variant configuration of the survey system (payload? ) including multi-beam...
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Port Cities within Port Regions: Shaping Complex Urban Environments in Gdańsk Bay, Poland
PublicationPort cities located within various metropolitan or functional regions face very different development scenarios. This applies not only to entire municipalities but also to particular areas that play important roles in urban development—including ports as well as their specialized parts. This refers also to the various types of maritime industries, including the processing of goods, logistics operations, shipbuilding, or ship repairing,...
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Flame-Retardant Polymer Materials Developed by Reactive Extrusion: Present Status and Future Perspectives
PublicationThe development of flame retardant polymer materials has two roots, one in materials design, and the other in materials processing. Over recent decades, different types and classes of flame retardant polymer materials have been commercialized to meet safety requirements in the construction, automotive, and coatings industries. In the vast majority of cases, the design and fabrication of new materials presenting low fire hazards...
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How Machine Learning Contributes to Solve Acoustical Problems
PublicationMachine learning is the process of learning functional relationships between measured signals (called percepts in the artificial intelligence literature) and some output of interest. In some cases, we wish to learn very specific relationships from signals such as identifying the language of a speaker (e.g. Zissman, 1996) which has direct applications such as in call center routing or performing a music information retrieval task...
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Cellulose and its derivatives, coffee grounds, and cross-linked, β-cyclodextrin in the race for the highest sorption capacity of cationic dyes in accordance with the principles of sustainable development
PublicationIn this study, seven different materials were analyzed and includes coffee grounds (CG), two types of cellulose (CGC and CC), two types of modified cellulose (CT and CTCD), and cross-linked β-cyclodextrin (CD-1 and CD-2) were tested as adsorbents for the removal of dyes from the wastewater. The composition, morphology, and presence of functional groups in the obtained sorption materials were characterized by elemental analysis,...
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Cu( II ) ions removal from wastewater using starch nanoparticles ( SNPs ): An Eco‐sustainable approach
PublicationThe complex structured starch particles were reduced to the nanoscale size range through hydrolysis utilizing low concentration acid assisted with ultrasound irradiation. The synthesized starch nanoparticles (SNPs) were characterized by TEM, FTIR, and XRD techniques. The synthesized SNPs possessed surface activated entities, as many cationic functional groups were confirmed through the FTIR spectrum. Also, these SNPs were effectively...
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Shrinking-shifting and amplifying-shifting device using transformation optics
PublicationBased on transformation optics (TO), this paper uses geometric divisions and linear coordinate transformations to design “shrinking-shifting—and reshaping”, and “amplifying-shifting—and reshaping” devices. The proposed devices can reshape the sizes and locations of the wrapped-objects inside the core-region. The shrinking-shifting device shrinks the larger object into a smaller one and shifts it to different location, whereas the...
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Technical and Economic Analysis of the Implementation of Selected Variants of Road Investment
PublicationThe aim of the article is to analyze three variants of modernization and reconstruction of a road intersection, which in practice is the cause of numerous collisions and accidents. Detailed design solutions are presented for them. The aim of the analyses is to indicate an effective solution that, taking into account technical modifications of the road system elements, will ensure the functionality of the road system to the highest...
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Issues relating to the efficient Application of passive solar protection in multi-family residential buildings
PublicationThe following article is intended to discuss the issues concerning the introduction of passive measures aimed at improving solar protection in multi-family buildings. A system of classifying these methods into two groups of solutions (architectural and material-building) was applied. The first group includes issues concerning facade design, the spatial features of which (such as loggias, balconies and other overhangs) can be treated...