bluuebunny/crossref_metadata_2025_split huggingface dataset:
Software sensors for monitoring of a solid waste composting process
Authors: Bolf N. , Kopčić N. , Briški F. , Gomzi Z. 
Published: January 2007

AbstractProcess identification for composting of tobacco solid waste in an aerobic, adiabatic batch reactor was carried out using neural network-based models which utilized the nonlinear finite impulse response and nonlinear autoregressive model with exogenous inputs identification methods. Two soft sensors were developed for the estimation of conversion. The neural networks were trained by the adaptive gradient method using cascade learning. The developed models showed that the neural networks could be applied as intelligent software sensors giving a possibility of continuous process monitoring. The models have a potential to be used for inferential control of composting process in batch reactors.
Calcined Ni—Al layered double hydroxide as a catalyst for total oxidation of volatile organic compounds: Effect of precursor crystallinity
Authors: Mikulová Z. , Čuba P. , Balabánová J. , Rojka T. , Kovanda F. , Jirátová K. 
Published: January 2007

AbstractThe effect of hydrothermal treatment on properties (crystallinity, porous structure, reducibility, acidity, basicity, and catalytic activity and selectivity in toluene and ethanol total oxidation) of Ni—Al layered double hydroxide precursors and related mixed oxides was examined. The hydrothermal treatment increased considerably both the content of crystalline phase and LDH crystallite size. On the other hand, only a slight effect of the precursor hydrothermal treatment on crystallinity of the related Ni—Al mixed oxides obtained by calcination at 450°C was observed. The reducibility of NiO particles appeared to be hindered considerably compared to the reducibility of pure NiO. Catalytic activity of the Ni—Al mixed oxides prepared from the precursors hydrothermally treated for a short time (4 h) was the highest. The highest amount of acetaldehyde formed during the total oxidation of ethanol, i.e. the worst selectivity was found for the calcined Ni—Al LDH without hydrothermal treatment.
Thermodynamic possibilities and constraints of pure hydrogen production by a chromium, nickel, and manganese-based chemical looping process at lower temperatures
Authors: Svoboda K. , Siewiorek A. , Baxter D. , Rogut J. , Punčochář M. 
Published: January 2007

AbstractThe reduction of chromium, nickel, and manganese oxides by hydrogen, CO, CH4, and model syngas (mixtures of CO + H2 or H2 + CO + CO2) and oxidation by water vapor has been studied from the thermodynamic and chemical equilibrium point of view. Attention was concentrated not only on the convenient conditions for reduction of the relevant oxides to metals or lower oxides at temperatures in the range 400–1000 K, but also on the possible formation of soot, carbides, and carbonates as precursors for the carbon monoxide and carbon dioxide formation in the steam oxidation step. Reduction of very stable Cr2O3 to metallic Cr by hydrogen or CO at temperatures of 400–1000 K is thermodynamically excluded. Reduction of nickel oxide (NiO) and manganese oxide (Mn3O4) by hydrogen or CO at such temperatures is feasible. The oxidation of MnO and Ni by steam and simultaneous production of hydrogen at temperatures between 400 and 1000 K is a difficult step from the thermodynamics viewpoint. Assuming the Ni—NiO system, the formation of nickel aluminum spinel could be used to increase the equilibrium hydrogen yield, thus, enabling the hydrogen production via looping redox process. The equilibrium hydrogen yield under the conditions of steam oxidation of the Ni—NiO system is, however, substantially lower than that for the Fe—Fe3O4 system. The system comprising nickel ferrite seems to be unsuitable for cyclic redox processes. Under strongly reducing conditions, at high CO concentrations/partial pressures, formation of nickel carbide (Ni3C) is thermodynamically favored. Pressurized conditions during the reduction step with CO/CO2 containing gases enhance the formation of soot and carbon-containing compounds such as carbides and/or carbonates.
Death kinetics of Escherichia coli in goat milk and Bacillus licheniformis in cloudberry jam treated by ohmic heating
Authors: Pereira R. , Martins J. , Mateus C. , Teixeira J. , Vicente A. 
Published: January 2007

AbstractThe influence of ohmic heating on the death kinetic parameters of Escherichia coli ATCC® 25922 in goat milk and spores of Bacillus licheniformis ATCC® 14580 in cloudberry jam was investigated and compared with that of conventional heating. Ohmic treatment of goat milk shortened the decimal reduction time D in comparison with the D values obtained at conventional treatment. Similarly, the z value, increase of temperature required for a ten-fold reduction of D, was also lower at ohmic treatment. The death kinetics of Bacillus licheniformis ATCC® 14580 spores in cloudberry jam was also studied employing both types of heat treatment. Similar conclusions were obtained for the D values as in the case of goat milk. However, the differences between the z values obtained for ohmic and conventional heating were not significant.
Topochemical models for anti-HIV activity of 1-alkoxy-5-alkyl-6-(arylthio)uracils
Authors: Bajaj S. , Madan A. 
Published: January 2007

AbstractRelationship between topochemical indices and anti-HIV-1 (HTLV-III) inhibitory activity of 1-alkoxy-5-alkyl-6-(arylthio)uracils has been studied. Superadjacency, an adjacency-cum-distance-based, topochemical index and Wiener’s, a distance-based, topochemical index were calculated for a set of 36 1-alkoxy-5-alkyl-6-(arylthio)uracils. Resulting data were analyzed and suitable models were developed after identification of the active ranges. Subsequently, a biological activity was assigned to each of the compounds using these models and compared with the reported anti-HIV-1 activity. High accuracy of prediction was observed using these models. Statistical analysis revealed significance of the proposed models as well as a lack of correlation between the topochemical indices employed for the chosen data set.
Acidity, lipophilicity, solubility, absorption, and polar surface area of some ACE inhibitors
Authors: Remko M. 
Published: January 2007

AbstractComputational chemical methods have been used to correlate the molecular properties of the 10 ACE inhibitors (captopril, enalapril, perindopril, lisinopril, ramipril, trandolapril, quinapril, fosinopril, benazepril, and cilazapril) and some of their active metabolites (enalaprilat, perindoprilat, ramiprilat, trandolaprilat, quinaprilat, fosinoprilat, benazeprilat, and cilazaprilat). The computed pK a values correlate well with the available experimental values. In the dicarboxylic ACE inhibitors, the carboxyalkyl carboxylate group of the ACE inhibitors studied is more acidic than the C-terminal carboxylate. However, at physiological pH = 7.4 both carboxyl groups of ACE inhibitors are completely ionized and the dicarboxyl-containing ACE inhibitors behave as strong acids. The available experimental partition coefficients of these ACE inhibitors investigated are well reproduced by the neural network-based ALOGPs and the fragment-based KoWWiN methods. All parent drugs (and prodrugs), with the exception of fosinopril, are compounds with low lipophilicity. Calculated pK a, lipophilicity, solubility, absorption, and polar surface area of the most effective ACE inhibitors for the prevention of myocardial infarction, perindopril and ramipril, were found similar. Therefore, it is probable that the experimentally observed differences in the survival benefits in the first year after acute myocardial infarction in patients 65 years of age or older correlate closely to the physicochemical and pharmacokinetic characteristics of the specific ACE inhibitor that is used.
Silver as anode in cryolite—alumina-based melts
Authors: Kucharík M. , Chamelot P. , Cassayre L. , Taxil P. 
Published: January 2007

AbstractThe anodic behaviour of silver was investigated in cryolite—alumina-based melt. Silver has a lower melting point (ca. 960°C) than the other metals considered as possible inert materials for aluminium electrolysis. The working temperature used in aluminium industry is approximately 960°C, depending on the melt composition. Therefore, the stability of silver during the anodic process was tested at 870°C in an acidic electrolyte consisting of 65.5 mass % Na3AlF6 + 22.9 mass % AlF3 + 5.7 mass % CaF2 + 3.9 mass % LiF + 2 mass % Al2O3 with the melting point ca. 850°C. The electrolyte without alumina was prepared as well, with the melting point ca. 860°C. The resulting cryolite ratio (CR = n(NaF)/n(AlF3)) for both electrolytes was equal to 1.6. The behaviour of the silver anode was studied by voltammetry measurements. The electrochemical study showed that an oxidation reaction occurred at a potential below the oxygen evolution potential. Silver was not found to be stable under oxygen evolution. The degradation of the silver anode was apparent after electrolysis.
Multicomponent facile synthesis of novel dihydroazolopyrimidinyl carbamides
Authors: Gladkov E. , Sirko S. , Khanetskii B. , Lukinova E. , Desenko S. 
Published: January 2007

AbstractNumber of novel derivatives of dihydrotriazolo-and-tetrazolopyrimidines containing carboxamide group in position 6 were obtained by multicomponent Biginelli-type reaction. The structures of all synthesized compounds were proved by NMR and MS spectral methods. The method of three-component Biginelli-type reaction is well suited for the synthesis of new promising dihydroazolopyrimidines providing a scaffold for screening of biological activity.
Energieeffizienz von Gebäuden und Behaglichkeit in Räumen
Authors: van Treeck Christoph 
Published: February 2007

AbstractDie Begeisterung war vielen Teilnehmern anzusehen und in den fachlichen Diskussionen spürbar, offensichtlich hatte man auf eine Veranstaltung dieser speziellen Art gewartet, um die “Simulationsgemeinschaft” im deutschsprachigen Raum zusammenzuführen: Unter dem Leitthema “Energieeffizienz von Gebäuden und Behaglichkeit in Räumen” fand im Oktober 2006 an der Technischen Universität München die erste deutsch‐österreichische IBPSA‐Konferenz BauSIM2006 statt. Begleitend wurde eine industrielle Fachausstellung durchgeführt, die das Programm im Sinne einer intensiven Vernetzung mit der Industrie abrundete. Vorliegende Ausgabe der BAUPHYSIK enthält im Hauptteil die erweiterten Artikel einer vom wissenschaftlichen Gremium der Konferenz getroffenen Auswahl aus den rund 90 Tagungsbeiträgen.IBPSA steht für International Building Performance Simulation Association und ist ein internationales Forum für Anwender, Forscher und Entwickler im Bereich der thermisch‐energetischen, ökologischen und anlagentechnischen Simulation von Gebäuden. IBPSA‐Germany wurde 2004 als regionale Dependance gegründet und besteht derzeit aus rund 80 aktiven Mitgliedern aus Industrie, Forschungseinrichtungen und Universitäten aus dem deutschsprachigen Raum. Die Konferenz BauSIM wird künftig alle zwei Jahre angeboten. Sie soll dabei keine der zahlreichen kleineren etablierten Veranstaltungen ersetzen, sondern die Vielfalt der Fachthemen entsprechend der Ausrichtung der internationalen IBPSA‐Tagungen vereinen.Seit Anfang 2007 ist die vollständig überarbeitete Homepage www.ibpsa‐germany.org verfügbar, die den Mitgliedern der IBPSA‐Gemeinschaft (Mitgliedschaft kostenfrei) Zugriff auf die Tagungsbeiträge der lokalen Konferenzen gestattet. Weiterhin wird gegenwärtig unter anderem an einem Simulationsratgeber nach dem konzeptionellen Vorbild eines offenen Wiki‐Media‐Systems gearbeitet. Ihr fachlicher Beitrag ist dabei herzlich willkommen!
ComfSim – Interaktive Simulation des thermischen Komforts in Innenräumen auf Höchstleistungsrechnern
Authors: van Treeck Christoph , Wenisch Petra , Borrmann André , Pfaffinger Michael , Wenisch Oliver , Rank Ernst 
Published: February 2007

AbstractDer Beitrag gibt eine Übersicht über den gegenwärtigen Stand der Entwicklungen eines “Computational Steering” Werkzeuges zur interaktiven Simulation und Bewertung des thermischen Komforts in Innenräumen. Das System besteht aus einem parallelen CFD Rechenkern, einem schnellen 3D Gittergenerator und einer integrierten VR‐basierten Visualisierungskomponente. Das numerische Verfahren basiert auf einem hybriden thermischen Gitter‐Boltzmann‐Verfahren mit Erweiterungen zur Simulation turbulenter konvektiver Raumluftströmungen. Die Nutzung von Techniken des wissenschaftlichen Höchstleistungsrechnens ermöglicht dabei interaktive Veränderungen am geometrischen Modell und an den Randbedingungen zur Laufzeit bei gleichzeitiger Neuberechnung und Darstellung von Ergebnissen. Das Modell wird gegenwärtig um ein Strahlenmodell und ein lokales thermisches Komfortmodell erweitert, das gemeinsam mit Projektpartnern entwickelt wird. Die Anwendung wird anhand der Strömungssimulation des Großraumabteils eines Zuges demonstriert.
Optimierung geothermischer Energiesysteme am Beispiel eines städtebaulichen Entwicklungsvorhabens
Authors: Höfker Gerrit , Winkler Katja , Bracke Rolf 
Published: February 2007

AbstractAm Beispiel eines städtebaulichen Entwicklungsvorhabens in Bottrop‐Kirchhellen wird eine vollständige Versorgung eines Baugebietes mit Geothermie vorgestellt. Anhand von Simulationen wurden die Lastprofile der Gebäude ermittelt und mit den geothermischen Simulationen verknüpft. Die Heizlastschwankungen in den Gebäuden stehen jedoch den von den Erdwärmesonden zur Verfügung gestellten und nahezu konstanten Wärmemengen entgegen. Daher ist einerseits die Glättung der Lastprofile durch die Kombination verschiedener gebäudetechnischer Konzepte und andererseits der Einsatz von Speichern von zentraler Bedeutung für eine effiziente Nutzung der Geothermie.
Sonnenschutz: Eine generelle Bewertungsmethode – auch für zwischenliegende Systeme – und zwei neue Behänge
Authors: Kuhn Tilmann E. 
Published: February 2007

AbstractEs wurde ein allgemeines Verfahren zur realistischen Leistungsbewertung von Sonnenschutzmaßnahmen für Fassaden entwickelt. Das Verfahren eignet sich insbesondere für Jalousien und kann entweder unabhängig oder innerhalb von Gebäudesimulationsprogrammen eingesetzt werden. Das neue Verfahren hat sich in der Praxis bereits bei der Planung großer Bürogebäude in Deutschland, Österreich und der Schweiz bewährt. Dieses Verfahren wird in [4] ausführlich dargelegt. Es kann entweder unabhängig (ohne Gebäudesimulation) zum Vergleich verschiedener Fassadensysteme oder innerhalb von Gebäudesimulationsprogrammen eingesetzt werden. In dieser Veröffentlichung wird die Erweiterung der Methode auf Fassaden mit in einer Isolierverglasung integrierten Sonnenschutzsystemen vorgestellt. Bestimmte Teil e des Verfahrens könnten innerhalb von Normen (z. B. EN 13363) oder zur Verbesserung der Genauigkeit von Gebäudesimulationsprogrammen verwendet werden. Praxiserfahrung mit der neuen Methodik führte zu neuen Erkenntnissen, die die Grundlage für zwei neue Produkte bilden. In [5] werden diese neuen Produkte auf der Grundlage der neuen Methodik mit Produkten auf dem Stand der Technik verglichen. Im Rahmen eines von der Veluxstiftung finanzierten Projekts wird das neue Verfahren z.Z. in das Gebäudesimulationsprogramm ESP‐r integriert.
Functionalization of catalase for a photochemical immobilization on poly(ethylene terephthalate)
Authors: Opwis Klaus , Knittel Dierk , Schollmeyer Eckhard 
Published: February 2007

AbstractThe enzyme catalase (EC 1.11.1.6) was covalently immobilized on textile carrier fabrics made of poly(ethylene terephthalate) (PET) by a novel combined wet chemical and photochemical process. The functionalization of catalase with allyl groups succeeds in a wet chemical treatment of the enzyme with allylglycidylether. This modified enzyme was bonded covalently to the textile material by a photochemical immobilization using a monochromatic excimer UV lamp (222 nm). Using this two‐step procedure nearly 60 mg enzyme/g carrier could be fixed durably. The efficiency of the immobilization products was investigated by measuring the enzymatic decomposition of hydrogen peroxide in comparison to the free enzyme. The relative activity of the catalase after the immobilization was nearly 5% compared to the free, not fixed enzyme; however, even after 30 reuses, the modified and immobilized catalase still showed a distinct activity.
A Combined QM/MM Molecular Dynamics Simulations Study of Nitrate Anion (NO3‐) in Aqueous Solution.
Authors: Tongraar Anan , Tangkawanwanit Piyawan , Rode Bernd Michael 
Published: February 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
First Observation of an Inverse Ruddlesden‐Popper Series: (A3n+1ONn‐1)Bin+1 with A: Sr, Ba and n = 1, 3.
Authors: Gaebler Frank , Prots Vurii , Niewa Rainer 
Published: February 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Cobalt Centered Trigonal Ln6 Prisms and Mg4 Clusters as Basic Structural Units in Ln4CoMg (Ln: Y, La, Pr, Nd, Sm, Gd—Tm).
Authors: Tuncel Selcan , Hoffmann Rolf‐Dieter , Chevalier Bernard , Matar Samir F. , Poettgen Rainer 
Published: February 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Effect of Rhodium Incorporation in KTiOPO4 Single Crystals Grown from Self‐Flux.
Authors: Bhaumik I. , Ganesamoorthy S. , Bhatt R. , Karnal A. K. , Sundar R. , Wadhawan V. K. 
Published: February 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
InAsxSb1‐x Alloy Nanocrystals for Use in the Near Infrared.
Authors: Kim Sang‐Wook , Sujith S. , Lee Bun Yeoul 
Published: February 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Highly Enhanced Luminescence of GdTaO4:Eu3+ Phosphors by Codoping with Zn2+ Ions.
Authors: Gu Mu , Xiao Lihong , Liu Xiaolin , Zhang Rui , Liu Bingjie , Xu Xin 
Published: February 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Multinuclear High‐Resolution NMR Study of Compounds from the Ternary System NaF—CaF2—AlF3: From Determination to Modeling of NMR Parameters.
Authors: Martineau C. , Body M. , Legein C. , Silly G. , Buzare J.‐Y. , Fayon F. 
Published: February 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Magnetic Properties and Electronic Structure of the New HfFe6Ge6‐Type HfMn6Ge6 Compound.
Authors: Ihou‐Mouko Hilaire , Mazet Thomas , Isnard Olivier , Malaman Bernard 
Published: February 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
LiMn2‐yMyO4 (M: Cr, Co) Cathode Materials Synthesized by the Microwave‐Induced Combustion for Lithium Ion Batteries.
Authors: Fu Yen‐Pei , Su Yu‐Hsiu , Wu She‐Huang , Lin Cheng‐Hsiung 
Published: February 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Synthesis and Characterization of Two New Photochromic Organic—Inorganic Hybrid Materials Based on Isopolyoxomolybdate: (HDBU)3(NH4) [β‐Mo8O26]×H2O and (HDBU)4[δ‐Mo8O26].
Authors: Coue Violaine , Dessapt Remi , Bujoli‐Doeuff Martine , Evain Michel , Jobic Stephane 
Published: February 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Chalcone Epoxide Intermediates in the Syntheses of Lignin‐Related Phenylcoumarans
Authors: Langer Vratislav , Li Shiming , Lundquist Knut 
Published: February 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Highly Enantioselective Construction of a Chiral Spirocyclic Structure by the [2 + 2 + 2] Cycloaddition of Diynes and exo‐Methylene Cyclic Compounds.
Authors: Tsuchikama Kyoji , Kuwata Yusuke , Shibata Takanori 
Published: February 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Isopropylidenemalononitrile in the Synthesis of 2‐Amino‐4,6,6‐trimethylcyclohexa‐2,4‐diene‐1,1,3‐tricarbonitrile (IX), 6‐Amino‐2‐ (4‐methoxybenzoylmethylsulfanyl) ‐4,4‐dimethyl‐1,4‐dihydropyridine‐3,5‐dicarbonitrile (IV), and Fused 2‐Aminopyrans (VI), (VIII) According to Michael.
Authors: Dyachenko V. D. , Rusanov E. B. 
Published: February 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Radical Additions of Aryl Iodides to Arenes Are Facilitated by Oxidative Rearomatization with Dioxygen.
Authors: Curran Dennis P. , Keller Adam I. 
Published: February 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
One‐Pot Wittig Reactions in Aqueous Media: A Rapid and Environmentally Benign Synthesis of α,β‐Unsaturated Carboxylic Esters and Nitriles.
Authors: Wu Jinlong , Yue Congyong 
Published: February 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Useful Reactions of Silylated Propargyltungsten or Propargylmolybdenum Species.
Authors: Asakura Toshimichi , Kojima Takuto , Miura Tomoya , Iwasawa Nobuharu 
Published: February 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Lanthanoid Triflate Catalyzed Preparation of β,β‐Difluorohomopropargyl Alcohols in Aqueous Media. Application to the Synthesis of 4,4‐Difluoroisochromans.
Authors: Arimitsu Satoru , Hammond Gerald B. 
Published: February 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Palladium‐Catalyzed Regiospecific Aminocarbonylation of Alkynes in the Ionic Liquid [bmim][Tf2N].
Authors: Li Yu , Alper Howard , Yu Zhengkun 
Published: February 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.