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Search results for: BIO-DERIVED SOLVENTS
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Adiabatic potential energy curves of the singlet Pi ungerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Pi ungerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry singlet Pi ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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Adiabatic potential energy curves of the singlet Pi and Delta gerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the singlet Pi and Delta gerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries singlet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma ungerade plus states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the five excited states of the symmetry triplet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Pi gerade states of the Lithium dimer
Open Research DataAdiabatic potential energy curves of the triplet Pi gerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry triplet Pi gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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Chemometrics approaches to green analytical chemistry procedure development
PublicationChemometric tools are widely used in analytical chemistry for the reduction of data dimensionality, grouping of variables and processing of analytical signals. They have also the potential to be applied in analytical procedure development with the aim of minimizing the procedure’s environmental impact. The design of experiment gives the possibility to obtain much better information on the system response than in case of “changing...
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Polymeric porous membranes as solid support and protective material in microextraction processes: A review
PublicationPolymeric porous membranes have proven to be a versatile and efficient material for microextraction processes. In analytical practice, they are used both as a solid support and as a protective medium for improved sample preparation in various analytical applications. Polymeric porous membranes offer unique advantages in microextraction due to their large surface area and controllable pore size, eliminating interfering effects from...
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Monitoring of breast tissue thermo-ablation by means of impedance measurements
PublicationW pracy przedstawiono rozważania dotyczące monitorowania jakości termoablacji zmian nowotworowych w piersi przy pomocy pomiarów impedancyjnych. Pokazano prototypowe konstrukcje sond do termoablacji jak również zaprezentowano wyniki symulacji i pierwszych eksperymentów. A usefulness of a developed probe combining power delivery to ablated breast tumour and simultaneous impedance measurements is discussed in the paper. It consists...
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3D porous graphene-based structures- synthesis and applications
PublicationPorous carbon-based materials are of the great industrial and academic interest due to their high surface area, low density, good electrical conductivity, chemical inertness and low cost of fabrication. Up to now, the main approach to obtain porous carbon structures has involved the pyrolysis of carbonaceous natural or synthetic precursors. After the isolation of graphene, the interest in 3D porous graphene-based structures (called...
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Analiza składu fazy gazowej wytwarzanej podczas fermentacji ciemnej
PublicationFermentacja ciemna umożliwia otrzymywanie bio-wodoru z substratów pochodzenia biologicznego, np. z biomasy ligno-celulozowej. Kontrola i właściwe sterowanie przebiegiem procesu fermentacji ciemnej wymaga bieżącego monitoringu składu powstającej fazy gazowej. W niniejszej pracy przedstawiono metodykę analizy składu fazy gazowej z wykorzystaniem techniki GC-TCD-FID. Zaproponowana metodyka umożliwia oznaczenie następujących gazów...
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Molecular modelling of a psychrophilic β-galactosidase
PublicationAntarktyczny szczep, gram-ujemnych bakterii, wyizolowanych z przewodu pokarmowego kryla z gatunku Thyssanoessa macrura, sklasyfikowany na podstawie analizy sekwencji nukleotydowej geny 16S rDNA jako Pseudoalteromonas sp. 22b jest producentem wewnątrzkomórkowej zimnolubnej beta-galaktozydazy. Ponieważ enzym ten wykazuje wysoką aktywność katalityczną w zakresie temperatur od 0 do 30 stC, stanowi on atrakcyjny biokatalizator, użyteczny...
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Schemat powstawania rys na przykładzie osiowo rozciąganego pręta żelbetowego
PublicationW artykule przedstawiono w sposób schematyczny ideę powstawania kolejnych rys w konstrukcjach żelbetowych na przykładzie osiowo rozciąganego pręta. Opisano początkowy oraz końcowy stan zarysowania. Wyprowadzono wzór na szerokość rysy. Przedstawiono interpretację geometryczną rys dla fazy początkowego zarysowania oraz efekt tension stiffening na przykładzie elementu osiowo rozciąganego. Przedstawiono przykładowe obliczenia miary...
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Parametrization and Correlation Analysis Applied to Music Mood Classification .
PublicationThe paper presents a study on music mood categorization. First, a review of music mood models is presented. Then, the preparation of a set of music excerpts to be used in the experiments and music parametrization is described. Next, some listening tasks performed to obtain mood descriptors are introduced. Finally,the correlation between mood descriptors and features extracted from parameters is discussed. The paper concludes with...
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Robust algorithm for active feedback control of narrowband noise
PublicationThe problem of active control of narrowband acoustic noise is considered. It is shown that the proposed earlier feedback control algorithm called SONIC (self-optimizing narrowband interference canceller), based on minimization of the L2-norm performance measure, can be re-derived using the L1 approach. The resulting robust SONIC algorithm is more robust to heavy-tailed measurement noise, such as the αlpha-stable noise, than the...
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NON-STATIONARY THERMAL SELF-ACTION OF ACOUSTIC BEAMS CONTAINING SHOCK FRONTS IN THERMOCONDUCTING FLUID
PublicationNon-stationary thermal self-action of a periodic or impulse acoustic beam containing shock fronts in a thermoconducting Newtonian fluid is studied. Self-focusing of a saw-tooth periodic and impulse sound is considered, as well as that of a solitary shock wave which propagates with the linear sound speed. The governing equations of the beam radius are derived. Numerical simulations reveal that the thermal conductivity weakens the...
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Novel Family of Single-Phase Modified Impedance-Source Buck-Boost Multilevel Inverters With Reduced Switch Count
Publicationhis paper describes novel single-phase solutions with increased inverter voltage levels derived by means of a nonstandard inverter configuration and impedance source networks. Operation principles based on special modulation techniques are presented. Detailed component design guidelines along with simulation and experimental verification are also provided. Possible application fields are discussed, as well as advantages and disadvantages....
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Remarks on use of the term “deep eutectic solvent” in analytical chemistry
PublicationAbout 20 years ago, Abbott and co-workers researched new solvents that were based on mixtures of choline chloride with urea and carboxylic acids and that were liquid at ambient temperature. The term “deep eutectic solvent” (DES) was later adopted for similar mixtures. As DESs have a number of interesting features, they quickly attracted the attention of researchers and found application in various branches of chemical and materials...
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A biochemical multi-species quality model of a drinking water distribution system for simulation and design
PublicationDrinking Water Distribution Systems (DWDSs) play a key role in sustainable development of modern society. They are classified as critical infrastructure systems. This imposes a large set of highly demanding requirements on the DWDS operation and requires dedicated algorithms for on-line monitoring and control to tackle related problems. Requirements on DWDS availability restrict the usability of the real plant in the design phase....
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Thermo-Chemical Decomposition Study of Polyurethane Elastomer Through Glycerolysis Route with Using Crude and Refined Glycerine as a Transesterification Agent
PublicationDue to the increasing amount of polyurethane waste, chemical recycling of these materials is a topic of growing interest for many researchers. The primary pur- pose of polyurethane feedstock recycling is to recover the starting polyol. In this study glycerolysis using glycerine from two sources and two purity grades is proposed as a method of chemical recycling. The main effort of this paper focuses on the employment of commercial...
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Noise profiling for speech enhancement employing machine learning models
PublicationThis paper aims to propose a noise profiling method that can be performed in near real-time based on machine learning (ML). To address challenges related to noise profiling effectively, we start with a critical review of the literature background. Then, we outline the experiment performed consisting of two parts. The first part concerns the noise recognition model built upon several baseline classifiers and noise signal features...
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Enhanced trap-assisted recombination in organic semiconductors
PublicationAn analytical model to describe the interaction of excitons and charge transfer states with deep traps is formulated for the case of molecular materials. Here, we have considered the influence of a trap-assisted recombination on this phenomenon. The final expression for the effective recombination rate has been derived from the Shockley–Read–Hall theory and kinetic equations which characterize different photophysical processes....
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Modeling the effect of parasitic capacitances on the dead-time distortion in multilevel NPC inverters
PublicationA simple model is derived and verified for evaluating the effect of parasitic capacitances on the dead-time related voltage distortion in multilevel NPC voltage source inverters. The model permits well-defined and precise compensation of dead-time distortion, exhibiting meaningful improvement on compensation methods neglecting the effects of parasitic capacitances. A simple formula is given for evaluating the capacitances as serial/parallel...
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The occurrence of polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs) in the chosen area of Svalbard
PublicationIn the recent years, scientists have been paying more attention to the impact of compounds of anthropogenic origin on the environment. Polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs) are both groups of stable organic compounds, difficult to biodegrade, and potentially toxic. Because of their affinity to lipids, they can accumulate in fat tissue and exert influence on animal health. This paper present...
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STUDY OF SEASONAL ACOUSTIC PROPERTIES OF SEA WATER IN SELECTED WATERS OF THE SOUTHERN BALTIC
PublicationClimate Research of the globe is a current task, in particular to confirm the general hypothesis of global warming associated with an increase in average temperature. The sea acoustic climate is derived from the concept of climate and refers to the conditions of propagation of acoustic waves in a particular basin. In this paper, the results of systematic measurements of temperature, salinity and velocity distributions of sound...
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Low energy electron mass stopping power in H2
PublicationWe present experimental mass stopping powers of electrons in gaseous H2 obtained with a newly developed electron time-of-flight spectrometer, for the incident electron energy range of 10eV to 25eV. In our procedure the average energy loss is derived from our conversion of measured electron time-of-flight spectra into equivalent electron energy loss spectra so as to obtain the values of mass stopping power for electron scattering...
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Programmed metalloporphyrins for self-assembly within light-harvesting stacks: 5,15-dicyano-10,20-bis(3,5-di-tert-butylphenyl)-porphyrinato zinc(II) and its push-pull 15-N,N-dialkylamino-5-cyano congeners obtained by a facile direct amination.
PublicationThe title dicyano compound was synthesized via cyanation and it self-assembles in nonpolar solvents giving red-shifted and broad absorption maxima just as the bacteriochlorophylls which are encountered in the light-harvesting organelles of early photosynthetic bacteria. In the crystal, stacks are formed through a hierarchic combination of π-stacking and a CNZn electrostatic interaction. Push−pull 15-N,N-dialkylamino-5-cyano congeners...
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Green analytical chemistry : theory and practice
PublicationThis tutorial review summarises the current state of green analytical chemistry with special emphasis on environmentally friendly sample preparation techniques. Green analytical chemistry is a part of the sustainable development concept; its history and origins are described. Miniaturisation of analytical devices and shortening the time elapsing between performing analysis and obtaining reliable analytical results are important...
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Excess molar volume and viscosity deviation for binary mixtures of gamma-butyrolactone with dimethyl sulfoxide
PublicationThe densities of binary liquid mixtures of dimethyl sulfoxide and gamma-butyrolactone at (293.15, 298.15, 303.15 and 313.15) K and viscosity at T=298.15 K have been measured at atmospheric pressure over theentire range of concentration. From these data the excess molar volumes VE at (293.15, 298.15, 303.15 and 313.15) K and the viscosity deviation, the excess entropy, and the excess Gibbs energy of activation for viscous flow at...
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Computational modeling of molecularly imprinted polymers as a green approach to the development of novel analytical sorbents
PublicationThe development of novel molecularly imprinted polymers (MIP) sorbents for specific chemical compounds require a lot of tedious and time-consuming laboratory work. Significant quantities of solvents and reagents are consumed in the course of the verification of appropriate configurations of polymerization reagents. Implementation of molecular modeling in the MIP sorbent development process appears to provide a solution to this...
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AGREEprep – Analytical greenness metric for sample preparation
PublicationThis work proposes for the first time, a metric tool that gives prominence to sample preparation. The developed metric (termed AGREEprep) was based on 10 categories of impact that were recalculated to 0 e1 scale sub-scores, and then used to calculate the final assessment score. The criteria of assessment evaluated, among others, the choice and use of solvents, materials and reagents, waste generation, energy consumption, sample...
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Diethyl carbonate as a green extraction solvent for chlorophenol determination with dispersive liquid–liquid microextraction
PublicationThe principles of green analytical chemistry indicate that the search for greener organic solvents for extraction applications is crucial. In this study diethyl carbonate (DEC) is proved to be a green solvent, as it is relatively nontoxic, obtainable from renewable resources and biodegradable. Here it is applied as an extraction solvent for chlorophenol determination in water samples with dispersive liquid–liquid microextraction....
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Potential energy curves of the doublet Sigma gerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma gerade plus (dSg+) states have been calculated for the Lithium dimer cation (Li2+). The results of the ground state and four excited states of the symmetry doublet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Sigma ungerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma ungerade plus (dSu+) states have been calculated for the Lithium dimer cation (Li2+). The results of the five excited states of the symmetry doublet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Potential energy curves of the doublet Pi and Delta gerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta gerade (dPg and dDg) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Pi and Delta ungerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta ungerade (dPu and dDu) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Homocitrate synthase gene as a new molecular target in diagnostics of Candida spp. infections
PublicationNew potential molecular target which will be investigated during this research (homocitrate synthase gen) is the innovative target other than ribosomal DNA. This gene encodes enzyme present only in fungi and some Archaea what significantly increases specificity. It also reduces risk of contamination or influence of other factors (reaction with other DNA present in sample derived from bacteria or host cells) what excludes false...
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Distorsional analysis of I-section beam
PublicationAn elastic stiffness matrix was derived in the case of distortion of a restrained thin-walled I-section beam using the minimum total stationary elastic energy condition. The function describing the angle of distortion was adopted form the solution of differential equation in the case of restrained distortion. The example presented in the paper helps to assess the correctness of the proposed solution. The proposed elastic stiffness...
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A high-accuracy method of computation of x-ray waves propagation through an optical system consisting of many lenses
PublicationThe propagation of X-ray waves through an optical system consisting of many X-ray refractive lenses is considered. Two differential equations are contemplated for solving the problem for electromagnetic wave propagation: first – an equation for the electric field, second – an equation derived for a complex phase of an electric field. Both equations are solved by the use of a finite-difference method. The simulation error is estimated...
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Acceleration of the Discrete Green’s Function Formulation of the FDTD Method Based on Recurrence Schemes
PublicationIn this paper, we investigate an acceleration of the discrete Green's function (DGF) formulation of the FDTD method (DGF-FDTD) with the use of recurrence schemes. The DGF-FDTD method allows one to compute FDTD solutions as a convolution of the excitation with the DGF kernel. Hence, it does not require to execute a leapfrog time-stepping scheme in a whole computational domain for this purpose. Until recently, the DGF generation...
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A chemo-mechano-thermodynamical contact theory for adhesion, friction, and (de)bonding reactions
PublicationThis work presents a self-contained continuum formulation for coupled chemical, mechanical, and thermal contact interactions. The formulation is very general and, hence, admits arbitrary geometry, deformation, and material behavior. All model equations are derived rigorously from the balance laws of mass, momentum, energy, and entropy in the framework of irreversible thermodynamics, thus exposing all the coupling present in the...
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New bio-based polyester polyols for polyurethane foams - synthesis and characterization
ProjectsProject realized in Department of Polymers Technology according to 2020/04/X/ST5/01099 agreement from 2021-03-09
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Burialscapes of Rab Island (North East Adriatic): The Role of Sepulchral Evidence in the Reconstruction of Roman and Late Antique Rural Settlement Pattern
PublicationOn the bases of archaeological and documentary data an overview of the burial evidence of Roman and late Antique date on the island of Rab (North East Adriatic, Croatia) is brought forth, spatially analysed and interpreted within the so-far defined rural settlement pattern. While aiding in the definition of burial practices and their diachronic changes, data derived from such evidence and interpreted from a social perspective,...
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New Approach to Arc Fitting for Railway Track Realignment
PublicationThis article presents a new method of arc fitting for railway track realignment. The theoretical foundations are presented, along with a detailed algorithm of the iterative computational process. This method is based on solving a set of linearized pseudo-observation equations. The formulas of the functional model of the fitting problem were derived, and a special form of objective function is proposed. An iterative method for optimization...
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On Dynamic Boundary Conditions Within the Linear Steigmann-Ogden Model of Surface Elasticity and Strain Gradient Elasticity
PublicationWithin the strain gradient elasticity we discuss the dynamic boundary conditions taking into account surface stresses described by the Steigmann–Ogden model. The variational approach is applied with the use of the least action functional. The functional is represented as a sum of surface and volume integrals. The surface strain and kinetic energy densities are introduced. The Toupin–Mindlin formulation of the strain gradient elasticity...
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On the correspondence between two- and three-dimensional Eshelby tensors
PublicationWe consider both three-dimensional (3D) and two-dimensional (2D) Eshelby tensors known also as energy–momentum tensors or chemical potential tensors, which are introduced within the nonlinear elasticity and the resultant nonlinear shell theory, respectively. We demonstrate that 2D Eshelby tensor is introduced earlier directly using 2D constitutive equations of nonlinear shells and can be derived also using the throughthe-thickness...
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Potential applications of crude glycerol in polymer technology–Current state and perspectives
PublicationThe increasing use of bio-based fuels and fuel additives, among them biodiesel, causes significant surplus of crude glycerol on the market which creates new challenges in terms of its sustainable utilization. A lot of ways for the incorporation of this by-product into different branches of industry requires purification by expensive and complicated processes. Therefore, researchers are seeking for applications of untreated crude...
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Modyfikacja biodegradowalnych poliestrów alifatycznych za pomocą inicjatorów nadtlenkowych
PublicationCzynniki ekologiczne, ekonomiczne oraz większa świadomość społeczeństwa wpływają korzystnie na dynamiczny rozwój bio- degradowalnych materiałów, które sukcesywnie zastępują polimery „konwencjonalne”. Biodegradowalne polimery zarówno ze źródeł odnawialnych, jak i nieodnawialnych wzbudzają duże zainteresowanie wielu jednostek naukowo-badawczych oraz firm, głównie w zakresie ich modyfikacji. W pracy przedstawiono wyniki badań wpływu...
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Stabilizing lactate production through repeated batch fermentation of food waste and waste activated sludge
PublicationBio-valorization of organic waste streams, such as food waste and waste activated sludge, to lactic acid (LA) has recently drawn much attention. It offers an opportunity for resource recovery, alleviates environmental issues and potentially turns a profit. In this study, both stable and high LA yield (0.72 ± 0.15 g/g total chemical oxygen demand) and productivity rate (0.53 g/L•h) were obtained through repeated batch fermentation....
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Evaluation and start-up of an electro-Fenton-sequencing batch reactor for dairy wastewater treatment
PublicationThis study examined the performance of an integrated wastewater (WW) treatment system, namely an electro-Fenton (EF)-sequencing batch reactor (SBR), for dairy industry WW. The EF process was used as the first stage of the SBR. It degrades bio-refractory compounds via advanced oxidation processes, thereby resulting in the formation of simple biodegradable intermediates. Several factors, including the hydraulic retention time (HRT),...
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Wpływ budowy chemicznej na zmiany właściwości mechanicznych i termomechanicznych elastomerów biopoliuretanowych = The influence of chemical structure on mechanical and thermomechanical properties of cast biopolyurethane elastomers
PublicationPrzedmiotem niniejszej pracy są elastomery biopoliuretanowe otrzymywane metodą dwuetapową, tzw. prepolimerową, z wykorzystaniem surowców bio-pochodnych. Zbadano wpływ różnych małocząsteczkowych przedłużaczy łańcucha prepolimerowego: 1,2-biopropanodiolu oraz 1,3-biopropanodiolu na strukturę chemiczną i właściwości mechaniczne (warunki statyczne i dynamiczne) elastomerów biopoliuretanowych. Ponadto, wykorzystano również inny surowiec...
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The effect of dehydration/rehydration of bacterial nanocellulose on its tensile strength and physicochemical properties
PublicationBacterial nanocellulose (BNC) is a natural biomaterial with a wide range of biomedical applications. BNC contains 99 % of water which makes it too thick to be used as a bioimplant material. The aim of the work was to determine the effect of the BNC dehydration followed by rehydration on its mechanical and physicochemical properties, in the context of the use of BNC as bio-prostheses in the cardiovascular system. Dehydration involved the...