Miracle-dz/UniFAR-FTUs huggingface dataset:
Evaluation of innovative packing materials for the biodegradation of H2S: a comparative study

The biofiltration of gas polluted with H 2 S was carried out using innovative configurations of packing materials (i.e. a new synthetic material called UP20, sapwood, peat, pozzolan and pine bark). A comparison of seven different configurations (media alone or in combination) was made based on biofilter performances and pressure drop measurements. Biofilters were operated continuously for at least 95 days at a constant flow rate (0.5 N m 3 h -1 corresponding to a superficial velocity of 65 m h -1 and an empty bed residence time of 57 s). Elimination capacities and removal efficiencies were calculated according to loading rates varying from 0 to 25.5 g m -3 h -1 (inlet concentration up to 400 mg m -3 ). Biofilter performances were modelled and biokinetic constants were calculated using the Ottengraf model and a modified Michaelis-Menten model. In terms of elimination capacity, packing materials can be ordered from the most efficient to the least efficient: peat-UP20 in a mixture > peat-UP20 in two layers > peat > pozzolan-UP20 in two layers > pine bark > sapwood-UP20 in two layers > sapwood. A maximal removal rate, V m , of 55 g m -3 h -1 was calculated for biofilters filled with peat-UP20 (in a mixture or in two layers) and peat (in comparison, V m = 8.3 g m -3 h -1 for a biofilter filled with sapwood). Peat is the best material to treat high H 2 S concentrations and the addition of UP20 can significantly increase the removal efficiency. The pozzolan-UP20 combination represents an interesting packing material to treat pollutant loading rates up to 5 g m -3 h -1 with low pressure drops. For low H 2 S concentrations, sapwood can be considered as a good support for H 2 S degradation with pollutant loading rates up to 4 g rn- 3 h -1 .
Analysis of seized drugs using portable Raman spectroscopy in an airport environment—a proof of principle study

The rapid identification for drugs-of-abuse in airports is of critical importance. In this study we demonstrate the viability of Raman spectroscopy for the rapid identification of illicit substances in their containers in an airport environment. Raman spectra of drugs-of-abuse in situ were collected using portable Raman spectrometers; this technique offers distinct advantages to government agencies, first responders and forensic scientists working in the security field. We have demonstrated that the spectrometers are able to collect the spectra of suspect powders, including cocaine HCl and d-amphetamine sulphate with unknown constituents rapidly and with a high degree of discrimination. Copyright Â© 2008 John Wiley & Sons, Ltd.
Studies on the synthesis and fluorescent properties of long-chained 2-(5-alkyl-1, 3, 4-oxadiazol-2-yl)-3H-benzo[f]chromen-3-ones

The synthesis and fluorescent properties of some new benzocoumaryl heterocyclic molecules are presented. Condensation of 2-hydroxy-1-naphthaldehyde with diethyl malonate in the presence of catalytic amount of piperidine in ethanol affords benzocoumarin-3-ethyl carboxylate 2 in fairly good yield (90%). Further the compound 2 on treatment with hydrazine hydrate afforded compound 3 with excellent yield (95%). Thus compounds 4a-e have been obtained by direct cyclization of 3 with various fatty acids in the presence of POCl3. The structures of all newly synthesized compounds were confirmed by IR, 1 H NMR, 13 C NMR and UPLC-Mass spectral data. Fluorescent experimental results revealed remarkable photoluminescence properties. Luminescent properties of all newly synthesized compounds were determined and observed that they exhibited strong blue-green fluorescent properties. The fluorescence spectral properties of compounds 4a-e are similar to each other and the Stoke's shift ranges from 54 to 59 nm. Both the absorption and fluorescence maxima of the benzocoumarin-oxadiazole compounds showed good bathochromic shift.
Heat and moisture transfer in the selected partitions of a complex structure

S t r e s z c z e n i e W artykule przedstawiono analize modyfikowanych mechanicznie plyt styropianowych. Przedstawia on wybrane wyniki badan zawarte w pracy [6]: czyli określenie podstawowych parametrow cieplno-wilgotnościowych badanego materialu izolacyjnego: wspolczynnik przewodzenia ciepla oraz wspolczynnik dyfuzji pary wodnej. Glownym elementem jest badanie zjawisk cieplnych i wilgotnościowych w naturalnych warunkach atmosferycznych: pomiar temperatury i wilgotności w plaszczyźnie przegrody, pomiar gestości strumienia ciepla. Uzyskane wyniki [6] zostaly wykorzystane do walidacji zaproponowanego przez autora modelu matematycznego powiązanych zjawisk transportu ciepla i wilgoci w przegrodach o zlozonej strukturze. K e y w o r d s : Vapour diffusion coefficient; Heat conductivity factor; Perforated polystyrene. 3/2014 A R C H I T E C T U R E C I V I L E N G I N E E R I N G E N V I R O N M E N T 63 A R C H I T E C T U R E C I V I L E N G I N E E R I N G E N V I R O N M E N T The Si les ian Univers i ty of Technology No. 3/2014
Kinetic evaluation for aerobic biodegradation of resorcinol in a batch reactor

Mixed microbial cultures contained in the sludge of effluent treatment plant of a coke oven industry have been studied for its resorcinol biodegradation capacity under aerobic environment. The result showed that, after necessary acclimatisation, the culture was able to biodegrade up to a concentration of 500 mg/L of resorcinol in the substrate. The specific growth rate of microorganisms was found to be increased steadily up to 300 mg/L of resorcinol as sole carbon source, and then the rate was observed to be descended, but substrate degradation rate increases rapidly up to 400 mg/L, but decreased at 500 mg/L. The biodegradation kinetics is fitted to different substrate inhibition models. Among all models, Luong model was best fitted for resorcinol (RMSE = 0.0104). The biodegradation constants estimated using theses models showed good potential of the mixed microbial culture for resorcinol biodegradation.
Physicochemical characterization and thermal properties of lipids from R. opacus PD630.

Physicochemical properties of lipid from R. opacus PD630 were studied along with positional distribution of triacylglycerol fatty acids and thermal properties of the oil. Results showed that saturated fatty acids (SFA) contribute a large portion (51.50 ± 0.49%) of total fatty acids. A high proportion of fatty acids with an odd number of carbon atoms (32.08 ± 0.39%) were also detected. The lipid was high in red and yellow colour parameters and contained a high level of unsaponifiable matter. It was oxidatively stable and had good quality based on its moisture and volatile content, peroxide value, p-anisidine value, TOTOX value, conjugated diene and triene values, free fatty acid and acid values. The SFA (70.56 ± 1.95%) were enriched at sn-2 position against sn-1,3 position while unsaturated fatty acids were predominantly found at sn-1,3 position. The melting and crystallization of lipid from R. opacus PD630occurredover a large temperature range from -7.45°C to 32.37°C and 17.62°C to -19.93°C respectively, due to its high degree of saturation. Lipids from R. opacus PD630 decomposed in four stages during programmed heating, comprising decomposition of unsaponifiable matter, monounsaturated fatty acids (MUFA) and SFA degradation, followed by decomposition of MUFA and SFA degradation products. Based on the data, lipid from R. opacus PD630 can be considered as a good quality oil and is thermally stable.
Interfacial tension in high-pressure carbon dioxide mixtures

High-pressure interfacial- and surface-tension phenomena govern the migration and recovery of oil and gas from hydrocarbon reservoirs. The phenomena are of particular relevance to phase separation and mass transfer in light hydrocarbon fractionation plants and in propane deasphalting in lubricating oil refining. Interfacial tensions of carbon dioxide-water-alcohol mixtures were measured at temperatures in the range 5--71 C and pressures 0.1--18.6 MPa, using the capillary rise method. The alcohols were methanol (0.136 mf), ethanol (to 0.523 mf), and isopropyl alcohol (to 0.226 mf). Interfacial tension (IFT) decreased linearly with both temperature and pressure din the low-pressure range (gaseous CO{sub 2}) but was largely independent of pressure at high pressure (liquid or supercritical CO{sub 2}). There was a zone in the vicinity of the critical pressure of CO{sub 2}-as much as 20 C below and 10 C above the carbon dioxide critical temperature--where IFT became small. This is attributed to the formation of a second CO{sub 2}-rich phase. The isotherms exhibited a crossover pressure near 3 MPa for all systems examined.
Über die Aussagesicherheit der Substanzidentifizierung mittels HPLC-DAD in der systematischen toxikologischen Analyse unter Verwendung einer selbsterstellten UV-Spektrenbibliothek mit 2.682 Einträgen

Die Systematische Toxikologische Analyse (STA) stellt das zentrale diagnostische Werkzeug fur die Analyse vermuteter Vergiftungen sowohl in der Notfallmedizin als auch bei ungeklarten Todesfallen dar. Wahrend im konkreten Verdachtsfall in der Regel eine Vielzahl gut untersuchter, nachweisstarker Analysenverfahren fur den gerichteten Substanznachweis zur Verfugung steht, bedeutet die ungerichtete Suchanalyse (General Unknown Analysis) eine besondere Herausforderung: die eingesetzten Analysenverfahren sollen mit vertretbarem zeitlichen und okonomischen Aufwand eine beinahe unuberschaubare Zahl potenzieller Analyte mit hoher Selektivitat und Identifikationssicherheit im relevanten Konzentrationsbereich nachweisen und nach Moglichkeit wenigstens halbquantitativ bestimmen konnen.
Optical spectroscopy and fluorescence imaging for cancer diagnostics

Popular Abstract in Swedish Denna avhandling beskriver olika optiska metoder for att diagnostisera cancer.En sadan metod ar optisk spektroskopi (att med hjalp av ljus bestamma fysiska och kemiska egenskaper hos ett prov) som har anvands for att undersoka cancer i ogat. Avhandlingen omfattar vidare studier av optiska kontrastmedel tillverkade av nanokristaller (nano = en miljarddels meter), vilkas innehall av sallsynta jordartsmetaller ger unika optiska egenskaper. Dessa kontrastmedel ar i huvudsak amnade for forskningsmodeller. Nastan alla olika ogoncancersjukdomar kan idag diagnostiseras med hjalp av standardiserade undersokningsmetoder som ogonspegling, ultraljud, karlavbildning och magnetrontgen. Ogoncancer kan trots tillgang till dagens hjalpmedel ibland vara svar att diagnostisera. Som ett komplement till befintliga metoder har vi undersokt mojligheten att anvanda optisk spektroskopi for diagnos. Metoden ar speciellt kanslig for att kvantifiera innehallet av olika amnen i mansklig vavnad, som vatten och melanin och kan aven tillampas t.ex. for att mata blodvarde och syremattnad. Synligt och nara-infrarott ljus kan belysa vavnad pa flera centimeters djup, vilket kan anvandas for att soka ytligt liggande tumorer. I en serie experiment pa grisogon har vi sakerstallt att optisk spektroskopi kan med gott resultat kvantifiera mangden melanin och mangden blod i tumorliknande fantomer placerade i ogats aderhinnan. Vi har aven kunnat visa att denna undersokning inte skadar ogat eller ger upphov till okat ogontryck. Vidare har enuklerade ogon fran manniska med kand melanomdiagnos studerats. Optisk spektroskopi visade harvid relativt god traffsakerhet i att mata graden av pigmentering i melanomen. Sammanfattningsvis: optisk spektroskopi erbjuder ett gott komplement till nuvarande diagnosmetoder for ogoncancersjukdomar. Optiska kontrastmedel inom forskning ar ett starkt vaxande falt. En av anledningarna ar att optiska markorer kan emitera upp till en miljard fotoner per sekund per markor. Detta ar en mycket hog aktivitet jamfort med mer traditionella nukleara markorer. Darutover kan optiska markorer tillverkas av proteiner. Detta mojliggor fundamentala biologiska studier av genuttryck. Pa senare tid har nanomaterial med en storlek betydligt mindre an enstaka celler specialkonstruerats med unika optiska egenskaper. Vi har i en rad experiment studerat hur nanokristaller innehallande sallsynta jordartsmetaller kan utnyttjas som optiska markorer. Vi har funnit foljande fordelar: 1) dess optiska signatur kan enkelt skiljas fran den annars snarlika signaturen hos normal vavnad. Denna sarskiljning ar svar att uppna med traditionella optiska markorer. 2) nanokristaller ar stabila och faller inte sonder vid hog ljusintensitet. Detta ar ett vanligt forekommande hos organiska markorer. 3) nanokristaller mojliggor avbildning med hogre upplosning. 4) nanokristaller avger ljus med specifika farger. Sammanfattningsvis: nanokristaller innehallande sallsynta jordartmetaller uppvisar unika egenskaper vilket gor dem attraktiva som optiska markorer. (Less)
Heavily doped Si:P emitters of crystalline Si solar cells: recombination due to phosphorus precipitation

The measured saturation current density J0e of heavily phosphorus‐doped emitters of crystalline Si solar cells is analysed by means of sophisticated numerical device modelling. It is concluded that Shockley–Read–Hall (SRH) recombination exceeds Auger recombination significantly; it is caused by inactive phosphorus. This explains the large discrepancies between measured and simulated J0e values, observed persist‐ently over the last two decades in industrially fabricated Si solar cells. As a consequence, the heavily phosphorus‐diffused emitters still bear a significant potential to contribute to higher Si solar cell efficiency levels, if the amount of inactive phosphorus can be reduced. (© 2014 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)
Chromium Poisoning of the Porous Composite Cathode Effect of Cathode Thickness and Current Density

Electrochemical behavior of the (Lao 0.65 Sr 0.3 MnO 3 (LSM)/porous functional layer(FL)/8 mol % Y 2 O 3 -stabilized ZrO 2 (8YSZ) electrolyte} half cell in the presence of a Cr source was studied by dc method and impedance spectroscopy. The porous FL was made of a LSM and 8YSZ powder mixture. The degradation rate of the cell was found to depend strongly on the FL thickness. The increase in the thickness of the FL up to 13 μm leads to a significant reduction of the Cr poisoning of the cathode. The effect of high current density (up to 0.5 A/cm 2 ) on the long-term performance of half cells in the presence of chromium source was investigated. A few processes occur near the {LSM/SYSZ/gas} contact under current load in the presence of a chromium source: chemical transformations of this contact accompanied by the formation of chromium oxide under a relatively high current load, destruction of the electrolyte and penetration of chromium into the electrolyte along the grain boundaries. The chemical nature and rate of the transformations taking place near the {LSM/8YSZ/gas} contact under current load, most probably, determine the electrochemical performance of the cell for the initial operation period whereas the two other processes could contribute to the degradation during long-term performance.
Reinvestigation of the Conformation of Cyclosporin A in Chloroform

New investigations of cyclosporin A in CDCl3 have been performed to obtain additional and more accurate distance restraints than utilized in our previous studies of cyclosporin A. Build-up rates at 600 MHz using 6 different mixing times at low temperatures (252.5 K) were determined and transformed into distances using the two-spin approximation. With the new distance restraints in the MD simulations using the GROMOS package, we can unambiguously conclude the presence of a βII′-turn. The new structure resembles the X-ray structure more than the structure previously determined, especially regarding the orientation of the MeBmt side chain. In the new structure and in the solid state, the side chain is folded over the backbone (although there are substantial differences in the χ1 torsion), in contrast to the old structure, where the side chain is extended away from the backbone.
4269 - COMPUTER SIMULATION OF HYDROGEN-AFFECTED DISLOCATION MOVEMENT

H affects dislocation mobility in bcc and fcc materials. In the present work, atomistic simulations on the H-affected kinking process of a screw dislocation in Fe and the H-affected cross-slip process of a dissociated screw dislocation in Ni are conducted by the nudged elastic band method. H binding at the dislocation cores is simulated by the conjugate gradient method. In Fe, the maximum binding energy of H at the screw dislocation is 0.449 eV. We find that when a kink pair nucleates at H, the activation energy is decreased by the transition of H to a stronger binding site, while it is increased by the transition to a weaker binding site. When a kink pair meets H during expanding, the sideward motion of the kink pair is impeded by H. We thus conclude that H-induced softening occurs as the results of H jumping out of the strongest binding site and kink-pair nucleation at the jumped H where the transition of H back to the strongest binding site occurs during kinking. H-induced hardening occurs as the results of kink-pair nucleation at the site where H is in the strongest binding and the transition of H to a weaker binding site during kinking and/or H-impeded sideward motion of kinks. In Ni, we find that the maximum binding energy of H is strongly dependent on the edge components of the partial dislocations. H binding in the stacking fault exerts no effect on the activation energy of cross-slip. H that is bound to the cores of the partial dislocations and moves with the dislocations during cross-slip leads to an increase of the activation energy and thus induces slip planarity. The increase of the activation energy for cross-slip is due to a net decrease of the H binding energy at the curved dislocations in the cross-slip process.
Single-protein motion on microtubules and in cell membranes

Since the identification of the cell as the smallest unit of life, numerous biological studies have been focused on the understanding of the cell and all it contains. Living systems such as the cell are constantly changing and a large variety of dynamic processes occur continuously inside the cell. In order to understand what the world inside the cell is like, how small particles behave and how they move, individually or on average, knowledge about parameters such as rates and velocities is necessary. Biophysics provides the techniques and methodology to quantitatively determine these parameters using physical principles. This thesis focuses on different dynamic processes in vitro and in vivo studied using such approaches. In the following introduction chapter, I will present the physical concepts of the dynamics and the biological systems that are the subjects of this thesis. 1. General introduction
Quantum Chemistry in Nanoscale Environments: Insights on Surface-Enhanced Raman Scattering and Organic Photovoltaics

iii Table of contents . iv Citations to previously published work . vii Acknowledgments . ix
Millisecond non-melt laser annealing of phosphorus implanted germanium: Influence of nitrogen co-doping

In this work, we present the results obtained using a CO2 laser source at 10.6 μm wavelength for the study of the non-melt annealing of phosphorus doped germanium in the millisecond regime. Main objective of this paper is the demonstration of electrically active n+-p junctions in germanium by implanting phosphorus in p-type substrate while trying to maintain minimal dopant diffusion, which is a critical issue for scaling germanium devices. In addition to the phosphorus diffusion studies, we also explore the presence of nitrogen introduced in the substrate together with phosphorus and we conclude that it can further reduce dopant movement at the expense of lower activation level. The observation is confirmed by both electrical and SIMS measurements. Moreover, density functional theory calculations show that nitrogen-phosphorus co-doping of germanium creates stable N-P complexes that, indeed, are consistent with the deactivation and diffusion suppression of phosphorus.
Thermophoresis and cooperative binding of nucleotides

Thermophorese beschreibt die von Temperaturegradienten angetriebene, gerichtete Bewegung von Partikeln. Obwohl dieser Effekt seit 1856 bekannt ist, werden die zugrundeliegenden Prinzipien immer noch aktiv diskutiert. Im ersten Teil dieser Arbeit wurde ein lange vorhergesagter grosenabhangiger Ubergang der Thermophorese zum ersten Mal experimentell verifiziert. Die Experimente untersuchen ein spharisches Kondensator Modell fur Thermophorese. Um Vorhersagen uber ionisches Abschirmen geladener Partikel zu testen, sind Nanopartikel erforderlich, deren Grose im Bereich der Debye Lange liegt: DNA und RNA Oligonucleotide. Der theoretisch prognostizierte Ubergang vom Plattenkondensator- uber das spharische Kondensator- bis hin zum isolierte Sphare-Modell wurde uber einen weiten Bereich von Verhaltnissen zwischen Partikelgrose und Debye Lange erfolgreich beobachtet. Die Kombination dieser ionischen Thermophorese mit einer etablierten Beschreibung der Temperaturabhangigkeit von Thermophorese von ungeladenen Partikeln reicht aus, um Thermophorese von einzel- und doppelstrangiger DNA und RNA von 5°C bis 75°C und unter Salzkonzentrationen von 0.5mM bis 500mM abzudecken. Dies umfasst einen Grosteil biologisch relevanten Bedingungen. Damit lassen sich nicht triviale Abhangigkeiten der Thermophorese in sehr breiten Bereichen von Salzkonzentration und Temperaturen fur hoch relevante DNA und RNA Langen mit dem bestatigten Modell vorausberechnen. Diese Experimente geben neue Impulse in der Diskussion uber die Rolle von sekundaren elektrischen Feldern bei der Thermophorese. Zudem kann dieses neu gewonnene theoretische Verstandnis die Quantifizierung von Biomolekulaffinitaten verbessern. Kooperatives Binden, das im zweiten Teil untersucht wird, ist entscheidend fur das Verstandnis vieler intrazellularer Prozesse wie z.B. der Transkription. Mithilfe von Thermophoresemessungen wird das komplette Bindungsverhalten von mehr als zwei Partnern inklusive der kooperativen Effekte untersucht, die komplexe Molekul-Interaktionen formen. Die hier prasentierte, neu entwickelte Prozedur ist sehr flexibel und setzt nur einen fluoreszierzmarkierten Bindungspartner voraus. Im Gegensatz zu Methoden, die auf der Sattigung einer Bindung bei gleichzeitiger Untersuchung einer anderen beruhen, macht dieser neue Ansatz viele zusatzliche kooperative Molekulsysteme zuganglich. Kooperatives Binden eines sternformigen, dreiteiligen DNA-Komplexes wird mit einer einzigen Messung aufgedeckt. Bindungskonstanten und thermophoretische Eigenschaften der Komplexe werde mit Messungen von Titrationsreihen innerhalb des Konzentrationswurfels untersucht. Diese Methode kann zu einer bisher fehlenden, flexiblen Messtechnik fur kooperative Effekte bei geringer Veranderungen der untersuchten Systeme werden.