Error estimates of a finite volume method for the compressible Navier--Stokes--Fourier system

In this paper we study the convergence rate of a finite volume approximation of the compressible Navier--Stokes--Fourier system. To this end we first show the local existence of a highly regular unique strong solution and analyse its global extension in time as far as the density and temperature remain bounded. We make a physically reasonable assumption that the numerical density and temperature are uniformly bounded from above and below. The relative energy provides us an elegant way to derive a priori error estimates between finite volume solutions and the strong solution.Comment: 29 page

Local existence and conditional regularity for the Navier-Stokes-Fourier system driven by inhomogeneous boundary conditions

We consider the Navier-Stokes-Fourier system with general inhomogeneous Dirichlet-Neumann boundary conditions. We propose a new approach to the local well-posedness problem based on conditional regularity estimates. By conditional regularity we mean that any strong solution belonging to a suitable class remains regular as long as its amplitude remains bounded. The result holds for general Dirichlet-Neumann boundary conditions provided the material derivative of the velocity field vanishes on the boundary of the physical domain. As a corollary of this result we obtain: Blow up criteria for strong solutions, Local existence of strong solutions in the optimal L^p-L^q framework, Alternative proof of the existing results on local well posedness

On the incompressible limit of a strongly stratified heat conducting fluid

A compressible, viscous and heat conducting fluid is confined between two parallel plates maintained at a constant temperature and subject to a strong stratification due to the gravitational force. We consider the asymptotic limit, where the Mach number and the Froude number are of the same order proportional to a small parameter. We show the limit problem can be identified with Majda’s model of layered “stack-of-pancake” flow

In vitro Investigation of the Antimicrobial Activity of a Series of Lipophilic Phenols and Naphthols

Five groups of phenols/naphthols (42 compounds in total) were synthesized and screened against Gram-positive Staphylococcus aureus and Bacillus subtilis, Gram-negative Escherichia coli and Klebsiella pneumoniae, and the fungus Candida albicans. Whereas compounds were found inactive against Gram-negative bacteria, potent activities against Gram-positive bacteria were observed. The activities correlate with the ability of molecules to form quinone methides, suggesting potential new modes of action.KEYWORDS Antimicrobial activity, phenols, naphthols, quinone methides

Actinomycotic hepatic abscess in woman with longstanding intrauterine contraceptive device

We present a case of a 50 year-old female bearing an intrauterine contraceptive device for 20 years who was diagnosed with abdominopelvic actinomycosis with liver dissemination. The patient was successfully treated by a combination of surgical resection and a 3-month course of amoxicillin

Stereodifferentiation in the intramolecular singlet excited state quenching of hydroxybiphenyl-tryptophan dyads

The photochemical processes occurring in diastereomeric dyads (S, S)-1 and (S, R)-1, prepared by conjugation of (S)-2-(2-hydroxy-1,1'-biphenyl-4-yl) propanoic acid ((S)-BPOH) with (S)- and (R)-Trp, have been investigated. In acetonitrile, the fluorescence spectra of (S, S)-1 and (S, R)-1 were coincident in shape and position with that of (S)-BPOH, although they revealed a markedly stereoselective quenching. Since singlet energy transfer from BPOH to Trp is forbidden (5 kcal mol(-1) uphill), the quenching was attributed to thermodynamically favoured (according to Rehm-Weller) electron transfer or exciplex formation. Upon addition of 20% water, the fluorescence quantum yield of (S)-BPOH decreased, while only minor changes were observed for the dyads. This can be explained by an enhancement of the excited state acidity of (S)-BPOH, associated with bridging of the carboxy and hydroxy groups by water, in agreement with the presence of water molecules in the X-ray structure of (S)-BPOH. When the carboxy group was not available for coordination with water, as in the methyl ester (S)-BPOHMe or in the dyads, this effect was prevented; accordingly, the fluorescence quantum yields did not depend on the presence or absence of water. The fluorescence lifetimes in dry acetonitrile were 1.67, 0.95 and 0.46 ns for (S)-BPOH, (S, S)-1 and (S, R)-1, respectively, indicating that the observed quenching is indeed dynamic. In line with the steady-state and time-resolved observations, molecular modelling pointed to a more favourable geometric arrangement of the two interacting chromophores in (S, R)-1. Interestingly, this dyad exhibited a folded conformation in the solid state.Financial support from the Spanish Government (CTQ2010-14882, BES-2008-003314, JCI-2011-09926, PR2011-0581), from the Generalitat Valenciana (Prometeo 2008/090) and from the Universitat Politecnica de Valencia (PAID 05-11, 2766) is gratefully acknowledged.Bonancía Roca, P.; Vayá Pérez, I.; Markovitsi, D.; Gustavsson, T.; Jiménez Molero, MC.; Miranda Alonso, MÁ. (2013). Stereodifferentiation in the intramolecular singlet excited state quenching of hydroxybiphenyl-tryptophan dyads. Organic and Biomolecular Chemistry. 11(12):1958-1963. https://doi.org/10.1039/c3ob27278hS195819631112Jiménez, M. C., Pischel, U., & Miranda, M. A. (2007). Photoinduced processes in naproxen-based chiral dyads. Journal of Photochemistry and Photobiology C: Photochemistry Reviews, 8(3), 128-142. doi:10.1016/j.jphotochemrev.2007.10.001Abad, S., Pischel, U., & Miranda, M. A. (2005). Wavelength-Dependent Stereodifferentiation in the Fluorescence Quenching of Asymmetric Naphthalene-Based Dyads by Amines. The Journal of Physical Chemistry A, 109(12), 2711-2717. doi:10.1021/jp047996aAbad, S., Vayá, I., Jiménez, M. C., Pischel, U., & Miranda, M. A. (2006). Diastereodifferentiation of Novel Naphthalene Dyads by Fluorescence Quenching and Excimer Formation. ChemPhysChem, 7(10), 2175-2183. doi:10.1002/cphc.200600337Bonancía, P., Vayá, I., Climent, M. J., Gustavsson, T., Markovitsi, D., Jiménez, M. C., & Miranda, M. A. (2012). Excited-State Interactions in Diastereomeric Flurbiprofen–Thymine Dyads. The Journal of Physical Chemistry A, 116(35), 8807-8814. doi:10.1021/jp3063838Paris, C., Encinas, S., Belmadoui, N., Climent, M. J., & Miranda, M. A. (2008). Photogeneration of 2-Deoxyribonolactone in Benzophenone−Purine Dyads. Formation of Ketyl−C1′ Biradicals. Organic Letters, 10(20), 4409-4412. doi:10.1021/ol801514vBelmadoui, N., Encinas, S., Climent, M. J., Gil, S., & Miranda, M. A. (2006). Intramolecular Interactions in the Triplet Excited States of Benzophenone–Thymine Dyads. Chemistry - A European Journal, 12(2), 553-561. doi:10.1002/chem.200500345Lhiaubet-Vallet, V., Boscá, F., & Miranda, M. A. (2007). Stereodifferentiating Drug−Biomolecule Interactions in the Triplet Excited State:  Studies on Supramolecular Carprofen/Protein Systems and on Carprofen−Tryptophan Model Dyads. The Journal of Physical Chemistry B, 111(2), 423-431. doi:10.1021/jp066968kVayá, I., Pérez-Ruiz, R., Lhiaubet-Vallet, V., Jiménez, M. C., & Miranda, M. A. (2010). Drug–protein interactions assessed by fluorescence measurements in the real complexes and in model dyads. Chemical Physics Letters, 486(4-6), 147-153. doi:10.1016/j.cplett.2009.12.091Seedher, N., & Bhatia, S. (2005). Mechanism of interaction of the non-steroidal antiinflammatory drugs meloxicam and nimesulide with serum albumin. Journal of Pharmaceutical and Biomedical Analysis, 39(1-2), 257-262. doi:10.1016/j.jpba.2005.02.031SEEDHER, N., & BHATIA, S. (2006). Reversible binding of celecoxib and valdecoxib with human serum albumin using fluorescence spectroscopic technique. Pharmacological Research, 54(2), 77-84. doi:10.1016/j.phrs.2006.02.008Nanda, R. K., Sarkar, N., & Banerjee, R. (2007). Probing the interaction of ellagic acid with human serum albumin: A fluorescence spectroscopic study. Journal of Photochemistry and Photobiology A: Chemistry, 192(2-3), 152-158. doi:10.1016/j.jphotochem.2007.05.018Zhou, B., Li, R., Zhang, Y., & Liu, Y. (2008). Kinetic analysis of the interaction between amphotericin B and human serum albumin using surface plasmon resonance and fluorescence spectroscopy. Photochemical & Photobiological Sciences, 7(4), 453. doi:10.1039/b717897bVahedian-Movahed, H., Saberi, M. R., & Chamani, J. (2011). Comparison of Binding Interactions of Lomefloxacin to Serum Albumin and Serum Transferrin by Resonance Light Scattering and Fluorescence Quenching Methods. Journal of Biomolecular Structure and Dynamics, 28(4), 483-502. doi:10.1080/07391102.2011.10508590Katrahalli, U., Kalalbandi, V. K. A., & Jaldappagari, S. (2012). The effect of anti-tubercular drug, ethionamide on the secondary structure of serum albumins: A biophysical study. Journal of Pharmaceutical and Biomedical Analysis, 59, 102-108. doi:10.1016/j.jpba.2011.09.013El-Kemary, M., Gil, M., & Douhal, A. (2007). Relaxation Dynamics of Piroxicam Structures within Human Serum Albumin Protein. Journal of Medicinal Chemistry, 50(12), 2896-2902. doi:10.1021/jm061421fTormo, L., Organero, J. A., Cohen, B., Martin, C., Santos, L., & Douhal, A. (2008). Dynamical and Structural Changes of an Anesthetic Analogue in Chemical and Biological Nanocavities. The Journal of Physical Chemistry B, 112(43), 13641-13647. doi:10.1021/jp803083yTardioli, S., Lammers, I., Hooijschuur, J.-H., Ariese, F., van der Zwan, G., & Gooijer, C. (2012). Complementary Fluorescence and Phosphorescence Study of the Interaction of Brompheniramine with Human Serum Albumin. The Journal of Physical Chemistry B, 116(24), 7033-7039. doi:10.1021/jp300055cVayá, I., Jiménez, M. C., & Miranda, M. A. (2007). Excited-State Interactions in Flurbiprofen−Tryptophan Dyads. The Journal of Physical Chemistry B, 111(31), 9363-9371. doi:10.1021/jp071301zCallis, P. R., & Burgess, B. K. (1997). Tryptophan Fluorescence Shifts in Proteins from Hybrid Simulations:  An Electrostatic Approach. The Journal of Physical Chemistry B, 101(46), 9429-9432. doi:10.1021/jp972436fLakowicz, J. R. (2000). On Spectral Relaxation in Proteins†¶‖. Photochemistry and Photobiology, 72(4), 421. doi:10.1562/0031-8655(2000)0722.0.co;2Schuler, B., & Eaton, W. A. (2008). Protein folding studied by single-molecule FRET. Current Opinion in Structural Biology, 18(1), 16-26. doi:10.1016/j.sbi.2007.12.003Shen, X., & Knutson, J. R. (2001). Subpicosecond Fluorescence Spectra of Tryptophan in Water. The Journal of Physical Chemistry B, 105(26), 6260-6265. doi:10.1021/jp010384vBeechem, J. M., & Brand, L. (1985). Time-Resolved Fluorescence of Proteins. Annual Review of Biochemistry, 54(1), 43-71. doi:10.1146/annurev.bi.54.070185.000355Callis, P. R. (1997). [7] 1La and 1Lb transitions of tryptophan: Applications of theory and experimental observations to fluorescence of proteins. Flourescence Spectroscopy, 113-150. doi:10.1016/s0076-6879(97)78009-1Basarić, N., & Wan, P. (2006). Competing Excited State Intramolecular Proton Transfer Pathways from Phenol to Anthracene Moieties. The Journal of Organic Chemistry, 71(7), 2677-2686. doi:10.1021/jo0524728Lukeman, M., & Wan, P. (2003). Excited-State Intramolecular Proton Transfer ino-Hydroxybiaryls:  A New Route to Dihydroaromatic Compounds. Journal of the American Chemical Society, 125(5), 1164-1165. doi:10.1021/ja029376yKeck, J., Kramer, H. E. A., Port, H., Hirsch, T., Fischer, P., & Rytz, G. (1996). Investigations on Polymeric and Monomeric Intramolecularly Hydrogen-Bridged UV Absorbers of the Benzotriazole and Triazine Class. The Journal of Physical Chemistry, 100(34), 14468-14475. doi:10.1021/jp961081hVollmer, F., & Rettig, W. (1996). Fluorescence loss mechanism due to large-amplitude motions in derivatives of 2,2′-bipyridyl exhibiting excited-state intramolecular proton transfer and perspectives of luminescence solar concentrators. Journal of Photochemistry and Photobiology A: Chemistry, 95(2), 143-155. doi:10.1016/1010-6030(95)04252-0Lukeman, M., & Wan, P. (2002). A New Type of Excited-State Intramolecular Proton Transfer:  Proton Transfer from Phenol OH to a Carbon Atom of an Aromatic Ring Observed for 2-Phenylphenol1. Journal of the American Chemical Society, 124(32), 9458-9464. doi:10.1021/ja0267831Jiménez, M. C., Miranda, M. A., Tormos, R., & Vayá, I. (2004). Characterisation of the lowest singlet and triplet excited states of S-flurbiprofen. Photochem. Photobiol. Sci., 3(11-12), 1038-1041. doi:10.1039/b408530bWeller, A. (1982). Photoinduced Electron Transfer in Solution: Exciplex and Radical Ion Pair Formation Free Enthalpies and their Solvent Dependence. Zeitschrift für Physikalische Chemie, 133(1), 93-98. doi:10.1524/zpch.1982.133.1.093Winget, P., Cramer, C. J., & Truhlar, D. G. (2004). Computation of equilibrium oxidation and reduction potentials for reversible and dissociative electron-transfer reactions in solution. Theoretical Chemistry Accounts, 112(4). doi:10.1007/s00214-004-0577-0ÇAKIR, S., & BÇER, E. (2010). SYNTHESIS, SPECTRAL CHARACTERIZATION AND ELECTROCHEMISTRY OF VANADIUM(V) COMPLEX WITH TRYPTOPHAN. Journal of the Chilean Chemical Society, 55(2). doi:10.4067/s0717-9707201000020002

Are electric vehicles masculinized? Gender, identity, and environmental values in Nordic transport practices and vehicle-to-grid (V2G) preferences

In this paper, we provide a comparative and mixed methods assessment of the gendered dimensions of electric mobility and stated preferences for electric vehicles in the Nordic region. This includes the potential for such vehicles to be configured in a vehicle-to-grid (V2G) manner, where they can store energy and offer services to the grid, generating revenue and accelerating decarbonisation. Based primarily on a survey distributed to a mix of more than 5,000 respondents across five countries, research interviews, and focus groups, and supplemented with a comprehensive literature review, we examine how perceptions, attitudes, values and identities towards electric mobility differ by gender. We use this data to test, and largely confirm, with some exceptions, three hypotheses: H1: Men use cars (conventional and electric) more than women, more often own a car or EV, drive further than women, and use less public transport. H2: Women have stronger preferences for the environmentally friendly or safety attributes of vehicles (such as EVs and V2G), reflecting higher levels of environmental awareness. H3: Women attach less importance to acceleration, power, or sound, whereas men will emphasize range, sex appeal, and acceleration. In examining these hypotheses about gender, we reveal the more complex social dynamics behind how potential adopters in Denmark, Finland, Iceland, Norway, and Sweden consider and calculate various aspects of conventional mobility, electric mobility, and V2G

Preparation of a Trp-BODIPY fluorogenic amino acid to label peptides for enhanced live-cell fluorescence imaging

Fluorescent peptides are valuable tools for live-cell imaging because of the high specificity of peptide sequences for their biomolecular targets. When preparing fluorescent versions of peptides, labels must be introduced at appropriate positions in the sequences to provide suitable reporters while avoiding any impairment of the molecular recognition properties of the peptides. This protocol describes the preparation of the tryptophan (Trp)-based fluorogenic amino acid Fmoc-Trp(C2-BODIPY)-OH and its incorporation into peptides for live-cell fluorescence imaging-an approach that is applicable to most peptide sequences. Fmoc-Trp(C2-BODIPY)-OH contains a BODIPY (4,4-difluoro-4-bora-3a,4a-diaza-s-indacene) fluorogenic core, which works as an environmentally sensitive fluorophore, showing high fluorescence in lipophilic conditions. It is attached to Trp via a spacer-free C-C linkage, resulting in a labeled amino acid that can mimic the molecular interactions of Trp, enabling wash-free imaging. This protocol covers the chemical synthesis of the fluorogenic amino acid Fmoc-Trp(C2-BODIPY)-OH (3-4 d), the preparation of the labeled antimicrobial peptide BODIPY-cPAF26 by solid-phase synthesis (6-7 d) and its spectral and biological characterization as a live-cell imaging probe for different fungal pathogens. As an example, we include a procedure for using BODIPY-cPAF26 for wash-free imaging of fungal pathogens, including real-time visualization of Aspergillus fumigatus (5 d for culturing, 1-2 d for imaging).</p

Nachhaltigkeitsberichterstattung & -steuerung in der Baubranche

Das Ziel der vorliegenden Diplomarbeit ist es, einen tieferen Einblick in die herangezogenen Steuerungsinstrumente und -mechanismen der umsatzstärksten Bauunternehmen in der Zentral- und Mittel-EU zu geben. Dafür wurde zu Beginn eine ausführliche systematische Literaturrecherche durchgeführt, um den aktuellen Stand der Forschung zu dieser Thematik aufzuzeigen. Um jedoch konkretere Ergebnisse zu den veröffentlichen Steuerungsinstrumenten und -mechanismen zu finden, wird eine qualitative DA durchgeführt. Dazu wird eine Stichprobe von 30 Unternehmen herangezogen und es werden die veröffentlichten Nachhaltigkeitsberichte analysiert. Die Ergebnisse der Literaturrecherche als auch die DA werden anhand des Frameworks nach Malmi und Brown (2008) gegliedert. Die Literatur von Malmi und Brown (2008) nimmt einen wesentlichen Stellenwert in der vorliegenden Diplomarbeit ein. Neben der Analyse der Berichte liegt der Fokus ebenso auf dem Package-Gedanken, auf welchen in der Arbeit mehrmals Bezug genommen wird. Abgeschlossen wird die Arbeit mit einer ausführlichen Diskussion. Hierbei wird eine Zusammenfassung des Literature Reviews gegeben und in Zuge dessen wird die erste Forschungsfrage beantwortet. Anschließend werden die Ergebnisse des LR und der DA gegenübergestellt, um die zweite Forschungsfrage zu beantworten und um auch im Anschluss die Limitationen der vorliegenden Arbeit herauszufiltern. Ebenso wird anhand zwei Beispiele der Package-Gedanke durchgespielt. Anschließend werden noch die Ergebnisse der DA mit den beiden ausgewählten Theorien (Legitimitätstheorie und Stakeholder-Theorie) diskutiert. Das Fazit stellt das Ende der vorliegenden Diplomarbeit dar.The aim of this thesis is to provide a deeper insight into the control instruments and mechanisms used by the construction industry with the highest sales in the Central and Eastern EU. For this purpose, an extensive systematic literature research was carried out at the beginning in order to show the current state of research on this topic. However, in order to find more concrete results on the published control instruments and mechanisms, a qualitative document analysis is conducted. For this purpose, a sample of 30 companies is used and the published sustainability reports are analyzed. The results of the literature review as well as the document analysis are structured using the framework according to Malmi and Brown (2008). The literature of Malmi and Brown (2008) plays an important role in this thesis. In addition to the analysis of the reports, the focus is also on the package idea according to Malmi and Brown (2008), which is referred to several times in the thesis. The paper concludes with a detailed discussion. A summary of the literature review is given and the first research question is answered. Subsequently, the results of the LR and the DA are compared in order to answer the second research question and to filter out the limitations of the present work. Likewise, the package idea is run through on the basis of two examples. Afterwards, the results of the DA are still discussed with the two selected theories (legitimacy theory and stakeholder theory). The conclusion represents the end of this thesis.eingereicht von Aleksandra BasaricAbweichender Titel laut Übersetzung der Verfasserin/des VerfassersDiplomarbeit Universität Linz 202