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Search results for: ABS
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Ab Initio Study of the Electronic Spectrum of 7-Hydroxyquinoline
PublicationThe electronic spectrum of 7-hydroxyquinoline has been studied by using ab initio Multi-State Multi-Reference Møller-Plesset Second-Order Perturbation Theory (MSMRMP2). The energy range up to 6.5 eV is taken into consideration. The lowest π–π* transition is calculated to have an energy of 3.65 eV in good agreement with experimental data. Several other π–π* transitions are predicted to have excitation energies of 4.93, 5.20, 5.47,...
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Elastic scattering of electrons by water: An ab initio study
PublicationIn this work we devise a theoretical and computational method to compute the elastic scattering of electrons from a non-spherical potential, such as in the case of molecules and molecular aggregates. Its main feature is represented by the ability of calculating accurate wave functions for continuum states of polycentric systems via the solution of the Lippmann-Schwinger equation, including both the correlation effects and multi-scattering...
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ACS Applied Polymer Materials
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Liturgia Sacra. Liturgia - Musica - Ars
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Arbeiten aus Anglistik und Amerikanistiki
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Informationen aus Orthodontie und Kieferorthopaedie
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Archives of Bone and Joint Surgery-ABJS
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ACS Bio and Med Chem Au
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T-Labs Series in Telecommunication Services
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Study of the influence of medium composition on motility and aggregation of recombinant Escherichia coli strain BL21(DE3)/pACYCpBAD-PBS, PBS+0.2% glucose, PBS+0.5% glucose
Open Research DataMicrobial motility is a fundamental aspect of many microbial life cycles and is a key survival mechanism that enables microorganisms to navigate diverse and dynamic environmental conditions. This phenomenon becomes particularly important in response to changes in stimuli in time and space. The following experiment aimed to investigate how the composition...
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Study of the influence of medium composition on motility and aggregation of recombinant Escherichia coli strain BL21(DE3)/pCC90-PBS, PBS+0.2% glucose, PBS+0.5% glucose
Open Research DataMicrobial motility is a fundamental aspect of many microbial life cycles and is a key survival mechanism that enables microorganisms to navigate diverse and dynamic environmental conditions. This phenomenon becomes particularly important in response to changes in stimuli in time and space. The following experiment aimed to investigate how the composition...
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Study of the influence of medium composition on motility and aggregation of recombinant Escherichia coli strain AAEC191A/pCC90 D54-STOP-PBS, PBS+0.2% glucose, PBS+0.5% glucose
Open Research DataMicrobial motility is a fundamental aspect of many microbial life cycles and is a key survival mechanism that enables microorganisms to navigate diverse and dynamic environmental conditions. This phenomenon becomes particularly important in response to changes in stimuli in time and space. The following experiment aimed to investigate how the composition...
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Gustav Oelsners Werk aus polnischer Perspektive. das Erbe der moderne in der polnischen Architektur und Stadtplannung
PublicationDie Leistungen des Architekten Gustav Oelsner sind ein Beispiel für das gemeinsame Erbe der Region, das gemeinsam betrachtet werden sollte – ohne eine de facto künstliche Aufteilung in die Aktivitäten deutscher und polnischer Künstler. Eine solche Herangehensweise ist notwendig bei der Analyse der Biographie nicht nur des Altonaer Architekten, sondern vieler anderer, die das Schicksal der Geschichte in die nationale Einteilung...
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Oznaczanie śladowych ilości rtęci całkowitej w paliwach z wykorzystaniem techniki CV-AAS : opracowanie procedury analitycznej
PublicationOpisano procedurę oznaczania śladowych ilości rtęci całkowitej w próbkach paliw z wykorzystaniem techniki zimnych par atomowej spektrometrii absorpcyjnej (CV-AAS). Podano wartości wyznaczonych parametrów walidacyjnych opracowanej procedury analitycznej. Podano także wyniki pomiarów dla próbek rzeczywistych.
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ZIelsprache Deutsch Eine internationale Zeitschrift für Deutsch als Fremdsprache/Deutsch als Zweitsprache
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Cationic and anionic daughters of AlOH and GaOH. An ab initio study
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Dynamical properties of pnictide ZnSnP2 from ab initio calculations
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Electronic structure and charge distribution in DyBa2Cu3O7: The ab initio approach
PublicationW pracy wykonano obliczenia kwantowomechaniczne struktury elektronowej nadprzewodzącego materiału DyBa2Cu3O7 (Dy123) metodą FP-LAPW (full potential - linearized augmented plane wave) w ramach formalizmu DFT (density functional theory) stosując przybliżenie GGA (generalized gradient approximation). Ze względu na silne oddziaływania korelacyjne elektronów 4f w atomie Dy zastosowano dodatkowo poprawkę kulombowską U w ramach modelu...
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Study of the influence of medium composition on motility and aggregation of recombinant Escherichia coli strain AAEC191A/pCC90 Dra D-mut-PBS, PBS+0.2% glucose, PBS+0.5% glucose
Open Research DataMicrobial motility is a fundamental aspect of many microbial life cycles and is a key survival mechanism that enables microorganisms to navigate diverse and dynamic environmental conditions. This phenomenon becomes particularly important in response to changes in stimuli in time and space. The following experiment aimed to investigate how the composition...
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Study of the influence of medium composition on motility and aggregation of recombinant Escherichia coli strain BL21(DE3)/pCC90 D54-STOP-PBS, PBS+0.2% glucose, PBS+0.5% glucose
Open Research DataMicrobial motility is a fundamental aspect of many microbial life cycles and is a key survival mechanism that enables microorganisms to navigate diverse and dynamic environmental conditions. This phenomenon becomes particularly important in response to changes in stimuli in time and space. The following experiment aimed to investigate how the composition...
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Influence of surface topography on RBS measurements: case studies of (Cu/Fe/Pd) multilayers and FePdCu alloys nanopatterned by self-assembly
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Artificial neural network model of hardness, porosity and cavitation erosion wear of APS deposited Al2O3 -13 wt% TiO2 coatings
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Function and Frustration of Multi-Drug ABC Exporter Protein and Design of Model Proteins for Drug Delivery Using Protein Hydration Thermodynamics
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Extracellular secretion of Pseudoalteromonas sp. cold-adapted esterase in Escherichia coli in the presence of Pseudoalteromonas sp. components of ABC transport system
PublicationEnzymy lipolityczne, głównie lipazy i esterazy, stanowią cenną grupę biokatalizatorów wykorzystywanych w przemyśle. Coraz większe zainteresowanie tą klasą enzymów sprawiło, że poszukuje się alternatywnych źródeł ich pozyskiwania. W celu zbadania wpływu białek transportu ABC Pseudoalteromonas sp. 643A na ekspresję genu, sekrecję i aktywność esterazy EstA z tego mikroorganizmu w systemie ekspresyjnym E. coli skonstruowano układ do...
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Validation of high-resolution 3D patient QA for proton PBS and IMPT using laser CT of improved polymer gel dosimeters
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Ti/TiO2 nanotubes sensitized PbS quantum dots as photoelectrodes applied for decomposition of anticancer drugs under simulated solar energy
PublicationOne of the challenges in research into photoelectrocatalytic (PEC) degradation of pollutants is finding the appropriate photoanode material, which has a significant impact on the process efficiency. Among all others, photoelectrodes based on an ordered TiO2 nanotube arrays are a promising material due to well-developed surface area and efficient charge separation. To increase the PEC activity of this material, the SILAR method was...
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ANTIOXIDANT POWER SERIES (APS) AS A TOOL FOR RATIONAL DESIGN AND ASSESSMENT OF HEALTH PROMOTING PROPERTIES OF FUNCTONAL FOODS BASED ON ANTIOXIDANT PHYTOCHEMICALS
PublicationOver past decades, plantborne antioxidants dominated so called "translational research" in the area of food, nutrition, and disease prevention. Among consumers and producers, such phytochemicals are synonyms of nutriceuticals. Popularity and commercial success of antioxidants stems from mechanistic studies suggesting the involvement of reactive oxygen species in etiology of chronic diseases. However, epidemiology failed to provide...
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Study of the influence of medium composition on motility and aggregation of recombinant Escherichia coli strain BL21(DE3)/pCC90 Dra D-mut-PBS, PBS+0.2% glucose, PBS+0.5% glucose
Open Research DataMicrobial motility is a fundamental aspect of many microbial life cycles and is a key survival mechanism that enables microorganisms to navigate diverse and dynamic environmental conditions. This phenomenon becomes particularly important in response to changes in stimuli in time and space. The following experiment aimed to investigate how the composition...
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Abo Akademi
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ACS Publications
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Non-ionic and zwitterionic forms of neutral arginine – an ab initio study
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Negative Ion Formation in Sodium Chloride TrimerAn ab Initio Study
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Ab initio and nuclear inelastic scattering studies of Fe3Si/GaAs heterostructures
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The ab initio calculations of single nitrogen-vacancy defect center in diamond.
PublicationW artykule zaprezentowano rezultaty kwantowomechanicznych obliczeń ''ab initio'' struktury elektronowej defektu azot-wakans w diamencie. Do obliczeń wykorzystano model złożony z 63 atomów. Otrzymane wyniki zostały porównane z wcześniejszymi pracami teoretycznymi i doświadczalnymi.
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Ab initio molecular treatment for charge transfer by S3+ ion on hydrogen.
PublicationPoliczono adiabatyczne potencjały oddziaływania między jonem siarki i wodoru. Dokonano obliczeń nieadiabatycznych sprzężeń pomiędzy tymi potencjałami. Obliczenia wykazały, że należy wziąć pod uwagę niezbadany wcześniej poziom energetyczny jonu siarki aby dokładnie wyjaśnić mechanizm przechwytu ładunku.
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Hydration of N-Hydroxyurea from Ab Initio Molecular Dynamics Simulations
PublicationN-Hydroxyurea (HU) is an important chemotherapeutic agent used as a first-line treatment in conditions such as sickle cell disease and β-thalassemia, among others. To date, its properties as a hydrated molecule in the blood plasma or cytoplasm are dramatically understudied, although they may be crucial to the binding of HU to the radical catalytic site of ribonucleotide reductase, its molecular target. The purpose of this work...
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Ab initio chemical kinetics of Isopropyl acetate oxidation with OH radicals
PublicationGlobal reactivity descriptors of isopropyl acetate (IPA) and thermo-kinetic aspects of its oxidation via OH radicals have been studied. Transition state theory (TST) was utilized to estimate the bimolecular rate constants. Ten oxidation pathways have been investigated, and all of them are exothermic. The potential energy diagram has been sketched using different pre- and post-reactive complexes for all reaction pathways. Rate coefficient...
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Minimal parameter implicit solvent model for ab initioelectronic-structure calculations
PublicationAbstract - We present an implicit solvent model for ab initio electronic-structure calculations which is fully self-consistent and is based on direct solution of the nonhomogeneous Poisson equation. The solute cavity is naturally defined in terms of an isosurface of the electronic density according to the formula of Fattebert and Gygi (J. Comput. Chem., 23 (2002) 662). While this model depends on only two parameters, we demonstrate...
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Archaeologische Mitteilungen aus Iran und Turan
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AJS Review-The Journal of the Association for Jewish Studies
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4-Node combined shell element with semi-EAS-ANS strain interpolationsin 6-parameter shell theories with drilling degrees of freedom
PublicationW pracy sformułowano 4-węzłowy powłokowy element skończony klasy C0, w ramach nieliniowej 6-parametrowej teorii powłok. W celu uniknięcia zjawiska blokady (locking effect) wykorzystano technikę EAS do niesymetrycznych odkształceń membranowych i ANS do odkształceń poprzecznych.Przedstawiono przykłady potwierdzające poprawność sformułowania.
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Trendy w eLearningu, wszystko co musisz wiedzieć aby rozwijać ludzi, zwiększać zyski i zmieniać świat na lepszy
PublicationTrendy są doskonałym wskaźnikiem tego, co dzieje się w danej chwili na rynku: jakie rozwiązania są najbardziej w cenie oraz jakie są najczęściej poszukiwane przez potencjalnych klientów. Ich długoterminowa obserwacja i analiza pozwala nam formułować pewne założenia dotyczące dalszego rozwoju branży, a wprawne, doświadczone oko eksperta dostrzeże w nich przyszłość.
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Combination of ABT-737 and resveratrol enhances DNA damage and apoptosis in human T-cell acute lymphoblastic leukemia MOLT-4 cells
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Ability of paramedics to perform endotracheal intubation during continuous chest compressions: a randomized cadaver study comparing Pentax AWS and Macintosh laryngoscopes
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Ocena przydatności systemu AIS w doborze tras rutingowych w sieciach bezprzewodowych o architekturze mesh na obszarze Bałtyku
PublicationCelem artykułu jest przybliżenie wyników jednego z kierunków prac prowadzonych w Katedrze Teleinformatyki Wydziału ETI Politechniki Gdańskiej w ramach projektu NetBaltic. Zaprezentowano w nim wstępne wyniki dotyczące systemu akwizycji danych oraz oceny przydatności systemu AIS do dynamicznego modelowania grafów powiązań między statkami, z uwzględnieniem zasięgów zapewnianych przez wybrane technologie sieciowe, a także określania...
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Automatic Identification System (AIS) Dynamic Data Integrity Monitoring and Trajectory Tracking Based on the Simultaneous Localization and Mapping (SLAM) Process Model
PublicationTo enhance the safety of marine navigation, one needs to consider the involvement of the automatic identification system (AIS), an existing system designed for ship-to-ship and shipto- shore communication. Previous research on the quality of AIS parameters revealed problems that the system experiences with sensor data exchange. In coastal areas, littoral AIS does not meet the expectations of operational continuity and system availability,...
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European Journal of Wood and Wood Products (HOLZ ALS ROH-UND WERKSTOFF)
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Effects of sewage sludge supplementation on heavy metal accumulation and the expression of ABC transporters in Sinapis alba L. during assisted phytoremediation of contaminated sites
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Correlation between partial inhibition of hydrogen evolution using thiourea and catalytic activity of AB5-type hydrogen storage alloy towards borohydride electrooxidation
PublicationDirect borohydride fuel cells (DBFCs) are devices which directly convert the chemical energy stored in the borohydride ion and oxidant into electrical energy as a result of redox reactions. Unfortunately, a significant amount of fuel is lost as a result of the undesirable hydrolysis reaction. The selection of an efficient borohydride hydrolysis inhibitor requires detailed knowledge regarding the interaction mechanism between the...
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An ab initio study on BeX3− superhalogen anions (X = F, Cl, Br)
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