Wyniki wyszukiwania dla: functional analysis
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Reasons for Implementing Movement in Kinetic Architecture
PublikacjaThe paper gives insights into different forms of movement in contemporary architecture and examines them based on the reasons for their implementation. The main objective of the paper is to determine: the degree to which the complexity of kinematic architecture results from functional and spatial needs and what other motivations there are. The method adopted to investigate these questions involves theoretical studies and comparative analyses...
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Cognitive neuroscience: Theta network oscillations coordinate development of episodic memory
PublikacjaOur ability to remember life events matures through childhood and adolescence. A new study has revealed how theta oscillations between two anatomical brain regions supporting memory and executive functions are synchronized and develop across age through functional and structural connectivity.
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Arbutin: Isolation, X-ray structure and computional studies
PublikacjaArbutin, an active component originated from Serratula quinquefolia for skin-whitening use and treating skin related allergic inflammation, was characterized by microanalysis, FTIR, UV-Vis, multinuclear NMR spectroscopy, and single crystal X-ray diffraction method. The geometries of the studied compound were optimized in singlet states using the density functional theory (DFT) method with B3LYP functional. Electronic spectra were...
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Visual Traffic Noise Monitoring in Urban Areas
PublikacjaThe paper presents an advanced system for railway and road traffic noise monitoring in metropolitan areas. This system is a functional part of a more complex solution designed for environmental monitoring in cities utilizing analyses of sound, vision and air pollution, based on a ubiquitous computing approach. The system consists of many autonomous, universal measuring units and a multimedia server, which gathers, processes and...
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Safety Integrity Verification Issues of the Control Systems for Industrial Process Plants
PublikacjaThe aim of this article is to identify and discuss some issues that can be encountered in designing the industrial automation and control systems (IACS) for implementing safety functions. In a functional safety standard IEC 61511 for the process industry such systems are named the basic process control systems (BPCS) and the safety instrumented systems (SIS). In a generic functional safety standard IEC 61508 they are depicted as...
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Can Historic Interiors with Large Cubature be Turned Acoustically Correct?
PublikacjaHistoric interiors with large cubature, such as reception, theatrical, and concert halls, need to be renovated periodically if they are to be preserved as cultural heritage for future generations. In such cases it is necessary to maintain appropriate balance between requirements imposed by heritage conservation authorities office which are usually being given a higher priority, applicable safety regulations, and the comfort of...
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Designing efficient A-D-A1-D-A type fullerene free acceptor molecules with enhanced power conversion efficiency for solar cell applications
PublikacjaThe achievement of highly efficient power conversion efficiency (PCE) is a big concern for non-fullerene organic solar cells (NF-OSCs) because PCE can depend on numerous variables. Here, new five novel acceptor molecules without fullerenes were developed and investigated using DFT (density functional theory) and TD-DFT (time dependent-density functional theory). Compared to the recently synthesized molecule (PZ-dIDTC6), the developed...
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CLICK 'n' Sleep: Light-Switch Behavior of Triazole-Containing Tris(bipyridyl)ruthenium Complexes
PublikacjaA set of RuII complexes incorporating triazole subunits are presented. They show a solvent-dependent light-switch effect. Theoretical calculations revealed the excited states involved in the emission process. The findings are highly important for future design of light-switch sensors and suggest a severe restriction for functional photomolecular devices synthesized by CLICK chemistry.
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Mobile Activity Plan Applications for Behavioral Therapy of Autistic Children
PublikacjaThis paper concerns technological support for behavioral therapy of autistic children. A family of tools dedicated for mobile devices is presented, that allows to design and perform an activity schedule in behavioral therapy. The paper describes the main challenges, that were encountered, especially in meeting the non-functional requirements of the application: simplicity, repeatability, robustness, personalization, re-usability...
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Simulation of Residence Time Distribution and Mixing in Reactors with Recirculation Using 2D Approach
PublikacjaIn this paper, we propose a 2D approach in order to create a mathematical model for the determination of the residence time distribution for a flow reactor with recirculation. Apart from characterizing the functional residence time distribution, this model can help improve the operation of the reactor at the design stage. The mathematical model was validated by comparison with experiments carried out in a hydraulic laboratory.
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Determination of Changes in Viscosity of Hydrogel Depending on Shear Rates
PublikacjaThe datasets entitled Determination of changes in viscosity of hydrogel depending on shear rate contain the results of viscosity measurements using a Brookfield viscometer, with different kinds of spindles and shear rates. The data allowed the used hydrogel preparations to be characterised and their functional parameters, as substances modifying the rheology of thickeners and determining the effect of shear rate on the viscosity...
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Proton transfer and hydrogen bonds in supramolecular, self-assembled structures of imidazolium silanethiolates. X-ray, spectroscopic and theoretical studies
PublikacjaThe reaction of 1-methylimidazole, 2-ethyl-4-methylimidazole and 2-ethylimidazole with tris(2,6- diisopropylphenoxy)silanethiol (TDST) leads to the formation of three new salts, which have been characterized by elemental analyses, thermogravimetric analyses, FTIR spectroscopy, and their structures were determined by single-crystal X-ray diffraction. Structural analyses indicate that in all three compounds a proton transfer has...
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Contemporary multifunctional buildings towards a sustainable development of the housing environment
PublikacjaDevelopment of contemporary urban centers depends on the basis that buildings present more and more complex structures in terms of size and purpose. They are referred to as multifunctional buildings. This aspiration has its origins in the development of urban centers and in the desire to optimize the built-up areas. The article presents the theory of the approach to the design of multifunctional buildings with a focus on the residential...
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Chemically Selective Alternatives to Photoferroelectrics for Polarization-Enhanced Photocatalysis: The Untapped Potential of Hybrid Inorganic Nanotubes
PublikacjaLinear-scaling density functional theory simulation of methylated imogolite nanotubes (NTs) elucidates the interplay between wall-polarization, bands separation, charge-transfer excitation, and tunable electrostatics inside and outside the NT-cavity. The results suggest that integration of polarization-enhanced selective photocatalysis and chemical separation into one overall dipole-free material should be possible.
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Problem of Clogging in Drainage Systems in the Examples of the Zur and Podgaje Dams
PublikacjaDrainage plays an extremely important role in hydraulic structures, such as earth dams. Observations of drainage in hydraulic structures under various soil conditions indicate that the phenomenon of clogging can lead to a radical reduction in the efficiency of drainage, making it non-functional within a few years after construction. This article describes the problems of drainage clogging by iron oxide in the examples of the Zur...
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Simple design criteria and efficiency of hydrodynamic vortex separators
PublikacjaVortex separators are locally applied for waste water treatment in different systems - from storm waste water sewerage to water treatment in fish ponds. However, the methods for separator design presented in the literature are questionable. The paper presents two simple and functional criteria that were employed to construct a laboratory test stand. The test results gave positive feed back on the efficiency of vortex separators.
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Eye-tracking everywhere - software supporting disabled people in interaction with computers
PublikacjaIn this paper we present comprehensive system for communication with computer by gaze. One of the main assumptions behind this work was to provide solution that can be used with standard RGB webcam. The proposed comprehensive system included the eye tracking module and user interface for convenient gaze interaction with computer. As a result a fully functional application was developed. The average accuracy of the eye tracking...
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Application of nonmetallic frustrated cations in the activation of small molecules
PublikacjaThe concept of nonmetallic frustrated cations has been used in small molecule activation. The in situ generated ambiphilic phosphinoborinium cation activated phenyl isocyanate, diisopropylcarbodiimide, and acetonitrile under very mild conditions without any catalyst, yielding single-, double-, or mixed-activation products. Furthermore, the mechanisms of the reactions of the phosphinoborinium cation with small molecules were elucidated...
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Structural studies of a cold-adapted dimeric Beta-D-galactosidase from Paracoccus sp. 32d
PublikacjaThe crystal structure of a novel dimeric [beta]-D-galactosidase from Paracoccus sp. 32d (Par[beta]DG) was solved in space group P212121 at a resolution of 2.4 Å by molecular replacement with multiple models using the BALBES software. This enzyme belongs to glycoside hydrolase family 2 (GH2), similar to the tetrameric and hexameric [beta]-D-galactosidases from Escherichia coli and Arthrobacter sp. C2-2, respectively. It is the second...
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Evaluation of IEEE 802.21 Handover between IEEE 802.11 and UMTS Networks
PublikacjaThe paper presents IEEE 802.21 - the ongoing standard for network handovers - illustrating its functional features, and considering and simulating a set of scenarios of mobile stations moving between IEEE 802.11 and UMTS networks. In order to evaluate the performance of IEEE 802.21 hanover packet loses and switching delays caused by hanover procedures are investigated. The authors discuss example results of simulation experiments...
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Implementing Integrated Territorial Investments
PublikacjaThe chapter presents the first experiences related to the implementation of the Integrated Territorial Investment (ITI). In the case of the Pomeranian region in Poland, this process was associated with the creation of a broad partnership and bottom-up approach to the development strategy programming for Urban Functional Areas. In this paper, we try to assess the effectiveness of this process, by defining its strong points and bottlenecks,...
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Analytical and reliability data from the real-time simulator biogas plant
Dane BadawczeThe dataset represents the results of biogas plant simulation. The described plant is an agricultural biogas system, which can produce electrical energy with power estimated up to 1070 kW and heat energy that can reach 1200 kW simultaneously.
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Deposition and characterization of organic polymer thin films using a dielectric barrier discharge with different C2Hm/N2 (m = 2, 4, 6) gas mixtures
PublikacjaOrganic polymer thin films have been deposited on Si(100) and aluminum coated glass substrates by a dielectric barrier discharge (DBD) operated at medium pressure using different C2Hm/N2 (m = 2, 4, 6) gas mixtures. The deposited films were characterized by various spectroscopic techniques. Fourier transform infrared reflection absorption spectroscopy (FT-IRRAS) revealed the chemical functional groups present in the films. The surface...
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DFT study of low-energy electron interaction with pyridine, pyrazine and their halo derivatives
PublikacjaIn this work, the density functional theory with B3LYP hybrid functional was employed to calculate quantities useful for estimating the behavior of pyridine, pyrazine and their derivatives monosubstituted with Cl or Br atom, when exposed to low-energy electron impact. Vertical electron affinities obtained in several Pople basis sets and in aug-cc-pVTZ basis set are reported. Although some of the investigated molecules do not form...
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Working in harmony with nature. Green office buildings in a present-day city
PublikacjaMetropolis - as main point of people's migration, mostly because of work, have to face sustainable development as a strategy for the near future. This article describes possible ways leading to the best office building concepts in the design process. Searching for a workspace in harmony with nature is one of the aspects of a balanced development. The challenge is to create functional, compact, environmentally friendly and healthy...
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DFT studies of the refractive index of boron-doped diamond
PublikacjaThe density functional theory is one of the optimal solutions in calculation of optical properties of materials on the quantum scale. In this paper, we have investigated the refractive index of a boron-doped diamond structure with the usage of Atomistic Toolkit software from Synopsys. During this study, various methods and pseudopotentials were checked to obtain an optimal performanceaccuracy method for calculation of such materials....
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Fast Basis Function Estimators for Identification of Nonstationary Stochastic Processes
PublikacjaThe problem of identification of a linear nonsta-tionary stochastic process is considered and solved using theapproach based on functional series approximation of time-varying parameter trajectories. The proposed fast basis func-tion estimators are computationally attractive and yield resultsthat are better than those provided by the local least squaresalgorithms. It is shown that two...
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Applying of Doped Graphene Oxide Coatings for Corrosion Prevention
PublikacjaINTRODUCTION Graphene is a carbonaceous material characterized by extraordinary properties (high electron mobility, high surface area, high mechanical strength of 1100 GPa, very dense network hindering the passage of even the smallest helium atoms) [1]. Therefore, it found many applications, also as an anti-corrosive layer [2]. Electrophoretic Deposition (EPD) is one of the methods to deposit coatings. However, due to slight solubility...
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Synthesis, spectroscopy and computational studies of some biologically important hydroxyhaloquinolines and their novel derivatives
PublikacjaA series crystalline compounds of methyl and phosphinyl derivatives of 2-methylquinolin-8-ol (1a) and related 5,7-dichloro-2-methylquinolin-8-ol (1b) were quantitatively prepared and characterized by microanalysis, IR, UV-vis and multinuclear NMR spectroscopy. Five of them have been characterized by single crystal X-ray diffraction method. The known compounds, 8-methoxy-2-methylquinoline (2a) and 8-methoxyquinoline (2d), were synthesised...
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Partial inhibition of borohydride hydrolysis using porous activated carbon as an effective method to improve the electrocatalytic activity of the DBFC anode
PublikacjaCarbon materials are commonly used catalyst supports in various types of fuel cells. Due to the possibility of designing their properties, they seem to be attractive and functional additives. In Direct Borohydride Fuel Cells (DBFCs), the electrooxidation reaction of borohydride competes with the undesirable hydrolysis reaction, therefore our work aimed to modify anodes based on a multi-component hydrogen storage alloy with a small...
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District development concept – Lower Sopot (Dolny Sopot) district case study, study proposal no 1, May 2021
Dane BadawczeThe data presents results of work within the studies of the concept of development of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 1, from May 2021. The goal of the research process was to present the development concept of the area located in Lower Sopot (Dolny Sopot) district in the context of the...
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District development concept – Lower Sopot (Dolny Sopot) district case study, study proposal no 2, May 2021
Dane BadawczeThe data presents results of work within the studies of the concept of development of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 2, from May 2021. The goal of the research process was to present the development concept of the area located in Lower Sopot (Dolny Sopot) district in the context of the...
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District development concept – Lower Sopot (Dolny Sopot) district case study, study proposal no 3, May 2021
Dane BadawczeThe data presents results of work within the studies of the concept of development of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 3, from May 2021. The goal of the research process was to present the development concept of the area located in Lower Sopot (Dolny Sopot) district in the context of the...
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District development concept – Lower Sopot (Dolny Sopot) district case study, study proposal no 4, May 2021
Dane BadawczeThe data presents results of work within the studies of the concept of development of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 4, from May 2021. The goal of the research process was to present the development concept of the area located in Lower Sopot (Dolny Sopot) district in the context of the...
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District development concept – Lower Sopot (Dolny Sopot) district case study, study proposal no 5, May 2021
Dane BadawczeThe data presents results of work within the studies of the concept of development of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 5, from May 2021. The goal of the research process was to present the development concept of the area located in Lower Sopot (Dolny Sopot) district in the context of the...
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District development concept – Gdańsk-Lower City (Dolne Miasto) district case study, study proposal no 2, May 2021
Dane BadawczeThe data presents results of work within the studies of the concept of development of the district in the context of the city, Gdańsk-Lower City (Dolne Miasto) district, study proposal no 2, from May 2021. The goal of the research process was to present the development concept of the area located in Gdańsk-Lower City (Dolne Miasto) district in the...
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District development concept – Lower Sopot (Dolny Sopot) district case study, study proposal no 6, May 2021
Dane BadawczeThe data presents results of work within the studies of the concept of development of the district in the context of the city, Lower Sopot (Dolny Sopot) district, study proposal no 6, from May 2021. The goal of the research process was to present the development concept of the area located in Lower Sopot (Dolny Sopot) district in the context of the...
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District development concept – Gdańsk-Lower City (Dolne Miasto) district case study, study proposal no 1, May 2021
Dane BadawczeThe data presents results of work within the studies of the concept of development of the district in the context of the city, Gdańsk-Lower City (Dolne Miasto) district, study proposal no 1, from May 2021. The goal of the research process was to present the development concept of the area located in Gdańsk-Lower City (Dolne Miasto) district in the...
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District development concept – Gdańsk-Lower City (Dolne Miasto) district case study, study proposal no 3, May 2021
Dane BadawczeThe data presents results of work within the studies of the concept of development of the district in the context of the city, Gdańsk-Lower City (Dolne Miasto) district, study proposal no 3, from May 2021. The goal of the research process was to present the development concept of the area located in Gdańsk-Lower City (Dolne Miasto) district in the...
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Light‐Driven Multi‐Charge Separation in a Push‐Pull Ruthenium‐Based Photosensitizer – Assessed by RASSCF and TDDFT Simulations
PublikacjaThe performance of photosensitizers in the field of, for example, solar energy conversion, relies on their light-harvesting efficiency in the visible region, population of long-lived charge separated intermediates, as well as their charge-accumulation capacity amongst other properties. In this computational study, we investigate the photophysical properties of a bis(bipyridyl)ruthenium(II)-based black dye (Ru) incorporating a chromophoric...
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Core–shell excitation of isoxazole at the C, N, and O K-edges – an experimental NEXAFS and theoretical TD-DFT study
PublikacjaThe near-edge X-ray absorption fine structure (NEXAFS) spectra of the gas-phase isoxazole molecule have been measured by collecting total ion yields at the C, N, and O K-edges. The spectral structures have been interpreted using time-dependent density functional theory (TD-DFT) with the short-range corrected SRC2-BLYP exchange–correlation functional. Experimental and calculated energies of core excitations are generally in good...
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Studies on the building typology, Kartuzy case study, March 2020
Dane BadawczeThe data presents results of work within the studies on the building typology, Kartuzy case study, study proposal from March 2020. The goal of the process was to identify the basic types of urban structure of the area and to analyse them in terms of location, connections with the neighbourhood, basic and social functions, population density, building...
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Studies on the building typology, Dolny Sopot district case study, March 2020
Dane BadawczeThe data presents results of work within the studies on the building typology, Dolny Sopot district case study, study proposal from March 2020. The goal of the process was to identify the basic types of urban structure of the area and to analyse them in terms of location, connections with the neighbourhood, basic and social functions, population density,...
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Studies on the building typology, Gdańsk-Przymorze Małe district case study, March 2020
Dane BadawczeThe data presents results of work within the studies on the building typology, Gdańsk-Przymorze Małe district case study, study proposal from March 2020. The goal of the process was to identify the basic types of urban structure of the area and to analyse them in terms of location, connections with the neighbourhood, basic and social functions, population...
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Studies on the building typology, Gdańsk-Oliwa district case study, March 2020
Dane BadawczeThe data presents results of work within the studies on the building typology, Gdańsk-Stara Oliwa district case study, study proposal from March 2020. The goal of the process was to identify the basic types of urban structure of the area and to analyse them in terms of location, connections with the neighbourhood, basic and social functions, population...
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Studies on the building typology, Gdańsk-Brzeźno district case study, March 2020
Dane BadawczeThe data presents results of work within the studies on the building typology, Gdańsk-Brzeźno district case study, study proposal from March 2020. The goal of the process was to identify the basic types of urban structure of the area and to analyse them in terms of location, connections with the neighbourhood, basic and social functions, population...
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Warstwy funkcjonalne tlenkowych ogniw paliwowych
PublikacjaIn this paper, results describing current research on solid oxide fuel cells conducted at Gdańsk University of Technology, Faculty of Electronics, Telecommunications and Informatics are presented. The results are related to three kinds of functional layers: a thin cathode layer between the porous cathode layer and the electrolyte to improve the cathode performance, a buffer layer between the electrolyte and the cathode to slow...
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Polaronic and Mott insulating phase of layered magnetic vanadium trihalide VCl3
PublikacjaTwo-dimensional (2D) van der Waals (vdW) magnetic 3d-transition metal trihalides are a new class of functional materials showing exotic physical properties useful for spintronic and memory storage applications. In this article, we report the synthesis and electromagnetic characterization of single-crystalline vanadium trichloride, VCl 3 , a novel 2D layered vdW Mott insulator, which has a rhombohedral structure (R3, No. 148) at...
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The Mechanism of a Retro-Diels–Alder Fragmentation of Luteolin: Theoretical Studies Supported by Electrospray Ionization Tandem Mass Spectrometry Results
PublikacjaThe mechanisms of retro-Diels–Alder fragmentation of luteolin are studied theoretically using the Density Functional Theory method (B3LYP hybrid functional) together with the 6-311++G(d,p) basis set and supported by electrospray ionization tandem mass spectrometry (ESI-MS) results. The reaction paths leading to the formation of 1,3A and 1,3B fragment ions observed as the main spectral features in the ESI-MS spectrum are described...
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Looking for the Optimal Location of an Eco-District within a Metropolitan Area: The Case of Tricity Metropolitan Area
PublikacjaCompact housing structures located in city centers are considered to be the most energy and environmentally eective, mainly due to the access to services, transport networks and municipal infrastructures. There is the question of why so many of the acknowledged ecological housing complexes are located on the outskirts of cities or suburbs. Numerous cities decide to introduce strategies either to densify city centers, hoping to...