The goal of this work was to establish the suitable and limiting concentrations of Zn, Cu and Mn compounds during syngas fermentation. The results showed that cells encased in polyvinylidene difluoride (PVDF) membranes had a faster accumulation of methane in reactors containing fermentation medium dosed with 5 mg/L of each heavy metal compared to free cells. It was also revealed that total inhibition of biohydrogen production occurred in medium containing 5 mg/L Cu, 30 mg/L Zn and 140 mg/L Mn while the most suitable metal concentration level was 0.1 mg/L Cu, 0.6 mg/L and 2.8 mg/L Mn. In addition, a comparison test showed that for the most suitable metal concentration in the medium, rate of performance at pH 6 and 7 was higher than at pH 5.

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Paviršinio vandens telkinio kokybė yra viena iš svarbiausių aplinkosauginių problemų Lietuvoje, kuri priklauso nuo į vandens telkinius patenkančių teršalų. Tyrimo objektas: Ventos upės vandens taršos kontrolė atliekant DUFI testą bei įvertinant pakrančių apsaugos zonas. Magistro darbo tikslas: Nustatyti Ventos upės vandens kokybę taikant bestuburių organizmų testą DUFI metodu, bei įvertinti pakrančių apsaugos zonas ir apsaugos juostas tiriamoje teritorijoje. Magistro darbo uždaviniai: 1. Nustatyti makrozoobentoso rūšinę įvairovę Ventos upėje Kelmės raj. 2. Atlikti Ventos upės būklės vertinimą pagal makrozoobentosą DUFI metodu. 3. Įvertinti apsaugos zonų ir apsaugos juostų atitikimą teisiniams dokumentams tirtose Ventos upės vietose. 4. Įvertinti Ventos upės vandens kokybę pagal gautus rezultatus atlikus DUFI testą ir įvertinus pakrančių zonas. 5. Pateikti rekomendacijas Ventos upės vandens kokybei užtikrinti. Tyrimai atlikti 2013 metais gegužės–spalio mėnesiais taikant bestuburių organizmų testą DUFI metodu, kurio metu nustatyta ir įvertinta Ventos upės vandens kokybė pasirinktose tyrimo vietose upei tekant Kelmės rajono teritorijoje. Tyrimo metu buvo paimta 12 mėginių. Mėginiai spyrio metodu, kurio metu išjudintas gruntas kartu su gyvūnais patenka į pasroviui laikomą tinklelį, iš kurio po to kruopščiai jie išrūšiuoti į plastmasinius indelius. Sudarytas makrozoobentoso mėginys gabentas į patalpą, kur identifikuoti surinkti mėginio organizmai iki genties. Iš aplinkos į... [toliau žr. visą tekstą] / Quality of Surface water is one of the most environmental problems in Lithuania, which is dependent on of pollutants discharged to the water. The object: The water pollution control in Venta River by DUFI test and assessment coastal protection zones. The aim: Determinate water quality in the Venta River using invertebrate organisms DUFI test method and to assess coastal protection zones in the target area. Master tasks: 1. Set macrozoobenthos species diversity in the Venta River of Kelme district. 2. To perform condition assessment in Venta river by macrozoobenthos DUFI method. 3. Assess protection zones and protection strips compliance with legal documents studied in Venta places. 4. Assess water quality in Venta River according to the results after the DUFI test and evaluation coastal zones. 5. To adduce recommendations water quality guarantee of the Venta River. Studies were caried out in 2013 May – October using invertebrate organisms test DUFI method, which identified and assessed water quality of the Venta River in selected study areas of the river flowing Kelme district area. Study was taken 12 samples. Samples kick method, which rocked the soil together with the animals enter the stream stored in the grid, from which they are then thoroughly sorted into plastic cups. Sample consists of macrozoobenthos was carried in to the room, where the identification collected of organisms sample to the tribe. From the environment to the falling water pollution traps the... [to full text]

The Water Recovery System (WRS) is one of the necessary subsystems in an Advanced Life Support program. It regenerates potable water by processing wastewater generated on a space shuttle or on a space station. The Biological Water Processor (BWP) is one of the complex subsections of WRS that involves processes described by continuous time as well as discrete event dynamics. Such systems can be modeled as hybrid dynamical systems in MATLAB/Stateflow. The following state variables of the BWP have been simulated in MATLAB: Pressure drop across Organic Carbon Oxidation Reactor (OCOR), Pressure drop across nitrification reactor, nitrifier flow rate, total flow to OCOR, Gas-liquid separator level, feed pump modes. The developed model of the BWP can be used for the simulation of the complete WRS and also for synthesis of a distributed control laws for the BWP subsection.

Made available in DSpace on 2016-12-12T20:12:28Z (GMT). No. of bitstreams: 1 PGEF14MA007.pdf: 4559322 bytes, checksum: 55d9751d276f23795d861f70ded2cdbc (MD5) Previous issue date: 2014-02-25 / The pollution of soil, surface and groundwater caused by solid waste became the focus of studies around the world, given the recognized potential polluter of environmental liabilities And the large volume of waste generated daily. This study aims to evaluate the environmental liabilities off dump the city of Lages SC. The site in question is located on the left bank of the BR-282 sense Lages / Florianópolis SC, between the coordinates 27º 46 15, 38 S and 50º 15 10, 92 W an area of 48,000 m². the use of this area for waste disposal occurred between the years 1987 and 2005, when it was deactivated. Collection Of leachate, water, benthic macroinvertebrates and methane for a qualitative and quantitative analysis were performed gas were performed. The methodology used in the sampling of water and leachate followed the guidelines in Standard Methods for the Examination of Water and Wastewater (APHA, 1999). As for macroinvertebrates is followed Technical Bulletin Nº 19 EMBRAPA, methane gas was measured at 1 m above the ground surface to 40 cm below the ground surface. Using the Resolution Nº 257/05 of CONAMA as a reference to evaluate the physico-chemical parameters obtained for water samples and calculated the WQI. In addition, the BMWP index was used for analysis of macroinvertebrates. To evaluate the values of the physicochemical parameters of landfil leachate Resolution Nº 430/11 of CONAMA was used, was there was in the same reference value was used in the 357/05. Also analyzed the decomposition phase in which Is the landifill and methane analysis used the Annex 11 of Norm 15 as reference. Using as Reference to Resolution Nº 357/05 of CONAMA, if we take into account the current situation, the stream would be affected by the landfill framed as Class 4, as well as 92,85% of the points listed in the surroundings. According to the WQI, stream analysis, on average, were rated as acceptable, it is noteworthy that the five stream sampling sites were classified as bad and just as good. As BMWP index, the stream presents critical analysis as predominant and considered very polluted water. Taking as reference to Resolution Nº 430/11 of CONAMA, 43,33% of the points of leachate do not meet the same and therefore could not stand being dumped. With regard to the decomposition phase was predominantly in the methanogenic landfill phase. The concentration of methane gas collected at 1m height from the soil surface, both of cells on top of garbage as contour, meet the limits in Annex 11 for Norm 15, the same does not occur with the points sampled at 40 cm below the soil surface, which do not meet the limit of oxygen and, when considering the lower flammability of methane 44% reach this value / A poluição do solo e das águas superficiais e subterrâneas, provocada por resíduos sólidos urbanos passou a ser motivo de estudos em todo o mundo, dado ao reconhecido potencial poluidor dos passivos ambientais e o grande volume de resíduos gerado diariamente. O presente trabalho visa fazer uma avaliação do passivo ambiental lixão desativado do município de Lages-SC. O local em questão está localizado na margem esquerda da BR-282 sentido Lages/Florianópolis-SC, entre as coordenadas 27º46 15,38 S e 50º15 10,92 W em uma área de 48.000 m2. O uso de tal área para depósito de resíduos ocorreu entre os anos de 1987 e 2005, quando o mesmo foi desativado. Foram realizadas coletas de chorume, água, macroinvertebrados bentônicos e gás metano para que uma análise qualitativa e quantitativa fosse realizada. A metodologia utilizada nas amostragens de água e chorume seguiu as orientações estabelecidas no Standard Methods for the Examination of Water and Wastewater (APHA, 1999). Quanto aos macroinvertebrados bentônicos seguiu-se o Comunicado Técnico No19 da Embrapa; o gás metano foi medido a 1m acima da superfície do solo a 40 cm abaixo da superfície do solo. Utilizou-se a Resolução N° 357/05 do CONAMA como referência para avaliar os parâmetros físico-químicos obtidos para as amostras de água, bem como calculou-se o IQA. Além disso, o índice BMWP foi utilizado para análise dos macroinvertebrados bentônicos. Para avaliar os valores dos parâmetros físico-químicos do chorume a Resolução N° 430/11 do CONAMA foi utilizada, quando não existia valor de referência na mesma utilizou-se a No 357/05.Também analisou-se a fase de decomposição em que se encontra o aterro e para análise do metano utilizou-se o anexo 11 da Norma Regulamentadora 15 como norteador. Utilizando como referência a Resolução N° 357/05 do CONAMA, se levarmos em consideração a situação atual, o córrego influenciado pelo lixão seria enquadrado como de Classe 4, assim como 92,85% dos pontos coletados no entorno. De acordo com o IQA, o córrego analisado, em média, foi classificado como aceitável; ressaltando-se que no mesmo cinco pontos amostrados foram classificados como ruins e apenas um como bom. Conforme o índice BMWP , o córrego analisado apresenta águas críticas como predominantes, sendo considerado com água muito poluída. Tomando-se como referência a Resolução N° 430/11 do CONAMA, 43,33% dos pontos de chorume não atendem a mesma e portanto não poderiam estar sendo lançados no ambiente. No que se refere a fase de decomposição o lixão estaria predominantemente na fase metanogênica. A concentração de gás metano coletado a 1m de altura a partir da superfície de solo, tanto encima das células de lixo quanto do contorno, atendem os limites do anexo 11 da Norma Regulamentadora 15; o mesmo não ocorre com os pontos amostrados a 40 cm abaixo da superfície do solo, que não atendem ao limite do oxigênio e, ao considerar o limite inferior de inflamabilidade do metano 44% atingem este valor

The thesis presents detailed results of theoretical analyses based on extensive computer simulation studies with an aim to explore, quantify whenever possible, and understand structure and dynamics of polymers and proteins in several complex solvents. In order to make the Thesis coherent, we also study certain aspects of binary mixtures. Based on the phenomena studied, the thesis has been divided into four major parts: I. Dynamics of biological water: Distance dependent variation of dielectric constants in aqueous protein solutions II. Temperature dependent study of structural transformations in aqueous binary mixtures III. Conformation and dynamics of polymers in solution: Role of aqueous binary mixtures IV. Conformational change and unfolding dynamics of proteins: Role of sol-vent environment The above mentioned four parts have further been divided into thirteen chapters. In the following we provide a brief chapter-wise outline of the thesis. Part I consists of two chapters, where we focus on the study of dynamics of biological water and distance dependent variation of static and dynamic proper-ties (including dielectric constant) of water near different proteins. To start with, chapter 1 provides an introduction to the structure and dynamics of biological water. Here we discuss different experimental studies; including dielectric relaxation, NMR and salvation dynamics those explore the bimolecular hydration dynamics in great detail. We also discuss the wide range of computer simulation and theoretical studies that have been carried out to understand the dynamical behaviour of biological water. In chapter 2, we present our molecular dynamics simulation study to ex-plore the distance dependent static and dynamic behaviour of biological water near four different protein surfaces. Proteins are known to have large permanent dipole moments that can influence structure and dynamics of even distant water molecules. Therefore, distance dependence of polarization punctuation can provide important insight into the nature of biological water. We explore these aspects by studying aqueous solutions of four different proteins of different char-acteristics and varying sizes. We find that the calculated dielectric constants of the systems show a noticeable increment in all the cases compared to that of neat water. Total dipole moment auto time correlation function of water is found to be sensitive to the nature of the protein. We also define and calculate the effective dielectric constant of successive layers and find that the layer adjacent to protein always has significantly lower value (∼ 50). However, progressive layers exhibit successive increment of dielectric constant, finally reaching a value close to that of bulk 4–5 layers away. Theoretical analysis providing simple method for calculation of shellwise local dielectric constant and implication of these findings are elaborately discussed in this chapter. Part II deals with the temperature dependent study of aqueous DMSO and ethanol solutions and consists of three chapters. Chapter 3 provides a general introduction to the non-ideality (deviation from Raoult’s law) encountered in different binary mixtures. We discuss different theoretical models for treatment of binary mixtures. Finally we provide a systematic study about the non-ideality observed in aqueous binary mixtures. Here we discuss the anomalies observed in such systems and carry out a brief survey on the existing ideas of structural transformations associated with the solvation of a foreign molecule in water. In chapter 4, we discuss the results of temperature dependent study of struc-tural and dynamic properties of aqueous dimethyl sulfoxide (DMSO) mixture. It is now well-known that aqueous DMSO mixture exhibits signature of perco-lation driven structural aggregation at a mole fraction range xDMSO ≈ 0.15. We study the structural and dynamical change in this binary mixture below and above the percolation threshold along with decreasing temperature. Significant change in the molecular structure of DMSO as well as that of water is observed above the percolation threshold at a lower temperature, particularly at 200K. The structural arrangement of the DMSO molecules is found to be progressively more ordered with increasing DMSO concentration and decreasing temperature. On the other hand, water structure is found to be significantly deviated from tetrahedral arrangement in presence of DMSO clusters even at low temperature. The dynamics of water is also found to be considerably affected with increase of concentration and lowering of temperature. Similar phenomenon is observed for another amphiphilic molecule, ethanol, and has been discussed in chapter 5. Aqueous ethanol mixture is a widely studied solvent, both experimentally and using computer simulations. All the studies indicate several distinct salvation regimes. In recent molecular dynamics simulation studies, the reason for formation of micro-aggregates of ethanol is again attributed to percolation driven structural transformation. We carry out a temperature dependent study of water-ethanol binary mixture, particularly at low ethanol concentration to understand the molecular origin of such structural transformation. We find that the structural arrangement of ethanol as well as water molecules is similarly affected as that of DMSO with lowering of temperature. However, dynamics of water molecules in aqueous ethanol solution is found to be marginally affected, unlike the case of aqueous DMSO solution. We discuss the microscopic reason for such behaviour in a detailed manner. In Part III, we discuss the dynamics of linear polymer chains in different aqueous binary mixtures. Here we have three chapters. In chapter 6, we carry out a brief survey of the existing theories of polymers in solution. We discuss the quality of solvents depending on the preferred interactions between the polymer and the solvent or the polymer with its own. We also discuss the celebrated Flory-Huggins theory. We derive the expression of free energy of the Flory-Huggins theory in terms of the volume fraction of monomer and solvent molecules. In chapter 7, we discuss the results of our study of polymer dynamics in aqueous DMSO solution. We find that at a mole fraction 0.05 of DMSO (xDMSO ≈ 0.05) in aqueous solution, a linear polymer chain of intermediate length (n=30) adopts collapsed conformation as the most stable conformational state. The same chain exhibits an intermittent oscillation between the collapsed and the extended coiled conformations in neat water. Even when the mole fraction of DMSO in the bulk is 0.05, the concentration of the same in the first hydration layer around the polymer is found to be as large as 17 %. Formation of such hydrophobic environment around the hydrocarbon chain may be viewed as the reason for the collapsed conformation gaining additional stability. We find a second anomalous behaviour to emerge near xDMSO ≈ 0.15 that is attributed to the percolation driven structural aggregation of DMSO that lowers the relative concentration of the DMSO molecules in the hydration layer. In chapter 8, we carry out similar study of linear polymer chain in water– ethanol binary mixture. In this case also, we find a sudden collapse of the poly-merat xEtOH ≈ 0.05. Since ethanol molecules are known to form micro-aggregates in this concentration range, stability of collapsed state of polymer at this con-centration is anticipated to be correlated to this phenomenon. In fact, a purely hydrophobic polymer chain, in its collapsed form is anticipated to assist in the formation of spanning cluster comprised of hydrophobic ethyl groups at this concentration range thereby facilitating the percolation transition. We discuss these prospects in this chapter. Part IV deals with the solvent sensitivity to the conformational change and unfolding dynamics of protein. Part IV consists of five chapters. In chapter 9, we develop an understanding of protein folding and unfolding dynamics by discussing the fundamental theories developed in the last few decades. We also discuss the major role of solvents in stabilizing or destabilizing the native, ordered state. In chapter 10, we present a detailed study of unfolding of a small protein, chicken villin headpiece (HP36) in water-ethanol binary mixture, using molecular dynamics simulations. The prime objective of this work is to explore the sensitivity of protein dynamics towards increasing concentration of the cosolvent and unravel essential features of intermediates formed in the unfolding path-way. In water–ethanol binary mixtures, HP36 is found to unfold partially, under ambient conditions, that otherwise requires temperature as high as ∼ 600K to denature in pure aqueous solvent. The study unravels certain interesting aspects about the pathway of unfolding, guided by the formation of unique intermediates. Unfolding is initiated by the separation of hydrophoic core comprising three phenylalanine residues (Phe7, Phe11, Phe18). This separation initiates the melting of the helix2 of the protein. However, with an increase of cosolvent concentration different partially unfolded intermediates are found to be formed. We attribute the emergence of such partially unfolded states to the preferential solvation of hydrophobic residues by the ethyl groups of ethanol. We explore and subsequently quantify the detailed dynamics of unfolding in water-ethanol that appear to be more complex and sensitive to solvent composition. With an aim to develop a general understanding of the role of water–ethanol binary mixture in facilitating anomalous conformational dynamics of proteins, we carry out combined theoretical and experimental studies to explore detailed structural change of a larger protein, Myoglobin with increasing ethanol concentration. These studies are described in chapter 11. In agreement with our pre-vious observations, we identify in this case two well-defined structural regimes, one at xEtOH ≈ 0.05 and the other at xEtOH ≈ 0.25, characterized by formation of distinct partially folded conformations and separated by a unique partially unfolded intermediate state at xEtOH ≈ 0.15. We also find non-monotonic com-position dependence of (i) radius of gyration (ii) long range contact order (iii) residue specific solvent accessible surface area of tryptophan (iv) circular dichro-ism spectra and UV-absorption peaks. Multiple structural transformations, well-known in water-ethanol binary mixture, appear to have considerably stronger effects on the conformation and dynamics of protein Myoglobin. In chapter 12, we explore the free energy surface of unfolding pathway through umbrella sampling, for the small globular alpha-helical protein chicken-villin headpiece (HP36) in three different solvent conditions (water, xDMSO ≈ 0.15 and xDMSO ≈ 0.3). Recently established as a facilitator of helix melting, DMSO is found to be a good denaturant for HP36 and at a mole fraction of xDMSO ≈ 0.3, complete melting of the protein is ensured. The unfolding proceeds through initial separation or melting of the same aggregated hydrophobic core that com-prises three phenylalanine residues (Phe7, Phe11 and Phe18) accompanied by simultaneous melting of the helix2. Unfolding is found to be a multistage process involving crossing of three consecutive minima and two barriers at the initial stage. At a molecular level, Phe18 is observed to reorient itself towards other hy-drophobic grooves to stabilize the intermediate states. We identify the configuration of intermediates in all the solvent conditions which are found to be unique for the corresponding minima with similar structural arrangement. Consider-able softening of the barriers is observed with increasing DMSO concentration. Higher concentration of DMSO tunes the unfolding pathway by destabilizing the third minimum and stabilizing the second one, indicating the development of solvent modified, less rugged pathway. Chapter 13 provides a detailed microscopic mechanism of DMSO induced unfolding of HP36. We analyze the free energy contours of the protein HP36, obtained from molecular dynamics simulation in xDMSO ≈ 0.15 and xDMSO ≈ 0.3. The most probable intermediates obtained from the free energy contours are found to be similar to those obtained from umbrella sampling which again sup-ports the fact that the melting proceeds through formation of a series of unique intermediates. We characterize the preferential hydrophobic salvation of the hydrophobic core that drives the melting of secondary structure, by calculating time dependent radial distribution function and identifying the formation of strong orientation order between methyl groups of DMSO and phenyl alanine residues. Finally we employ Kramer’s rate equation to calculate the rate of bar-rier crossing that reveals significantly faster rate of unfolding with increasing DMSO concentration that is in agreement with simulation results. Whenever possible, we have discussed the scope of future work at the end of each chapter.