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Search results for: ION-MOLECULE COLLISIONS
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Synthesis and Physicochemical Properties of [(1R,2S,5R)-2-isopropyl-5-methylcyclohexyloxy]-thiophen-5-yl-substituted Tetrapyrazinoporphyrazine with Magnesium(II) Ion
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A DFT/TD DFT study of the structure and spectroscopic properties of 5-methyl-2-(8-quinolinyl)benzoxazole and its complexes with Zn(II) ion
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Co-Existence of Iron Oxide Nanoparticles and Manganese Oxide Nanorods as Decoration of Hollow Carbon Spheres for Boosting Electrochemical Performance of Li-Ion Battery
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Multifunctional nitrogen-doped nanoporous carbons derived from metal–organic frameworks for efficient CO2 storage and high-performance lithium-ion batteries
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Ion homeostasis and transport are regulated by genes differentially expressed in porcine buccal pouch mucosal cells during long-term culture in vitro – a microarray approach
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Using pattern recognition entropy to select mass chromatograms to prepare total ion current chromatograms from raw liquid chromatography–mass spectrometry data
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Controllable Synthesis of 3D Hollow-Carbon-Spheres/Graphene-Flake Hybrid Nanostructures from Polymer Nanocomposite by Self-Assembly and Feasibility for Lithium-Ion Batteries
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Solid-Contact Ion-Selective Electrodes with Highly Selective Thioamide Derivatives of p-tert-Butylcalix[4]arene for the Determination of Lead(II) in Environmental Samples
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CdS thin films obtained by thermal treatment of cadmium(II) complexprecursor deposited by MAPLE technique
PublicationCienkie warstwy kompleksu [Cd{SSi(O-But)3}(S2CNEt2)]2 zostały osadzone na podłożach Si przy użyciu techniki MAPLE (ablacja laserowa z zamrożoną matrycą). Otrzymanie warstw CdS było możliwe dzięki zastosowaniu obróbki termicznej podłoży z naniesionym prekursorem. Powierzchnia filmów była analizowana pod kątem morfologii przy użyciu mikroskopii sił atomowych (AFM) oraz pomiarów elipsometrycznych (SE).
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Selection of AHI + SC Hybrid Storage Based on Mathematical Models and Load Variation Characteristics
PublicationThe article deals with the design of a hybrid storage consisting of Aqueous Hybrid Ion battery (AHI) and supercapacitor (SC) modules. The selection of components is based on the knowledge of the load profile of the storage and the AHI battery and supercapacitor models. The paper presents the method of selecting components of the storage made of AHI batteries and supercapacitor modules The article includes an example of the hybrid...
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Rate performance of mixture (NH4)2V6O16 and (NH4)2V10O25·8H2O as cathode material in Li-ion batteries
Open Research DataThe DataSet contains the galvanostatic charge/discharge curves of the ammonium vanadate nanostructures obtained by the hydrothermal method without initial pressure (mixture (NH4)2V6O16 and (NH4)2V10O25·8H2O). The battery tests of the samples were performed using the ATLAS 0961 MBI multichannel battery testing system with different current densities...
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A structural study of the hydrated and the dimethylsulfoxide, N, N´-dimet-hylpropyleneurea, acetonitryle, pyridine and N,N-dimethylthioformamide solvated nickel(II) ion in solution and solid state.
PublicationOznaczono strukturę w stanie stałym i ciekłym solwatowanego jonu niklu(II) w rozpuszczalnikach o różnych właściwościach donorowych: w wodzie, dimetylo-sulfotlenku, N,N`-dimetylopropylomoczniku, acetonitrylu, pirydynie i N,N-di-metylotioformamidzie. Stwierdzono, że nikiel(II) tworzy przede wszystkim sześciokoordynacyjne solwaty (woda, acetonitryl, DMTF). Jako solwat pięciokoordynacyjny istnieje tylko w dimetylopropylomoczniku....
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Surface characteristics of glass fibres covered with an aluminum layer after a chemical modification process using secondary ion mass spectrometry (SIMS) and atomic force microscopy (AFM)
PublicationPrzedstawiono wyniki z badań powierzchni modyfikowanych włókien szklanych (przed i po procesie chemicznej modyfikacji ich powierzchni), które są kandydatem na przyszły oryginalny bezmatrycowy materiał odniesienia lotnych analitów etenu (C2H4) metodami spektrometrii mas jonów wtórnych oraz mikroskopii sił atomowych. Badania miały na celu obserwację zmian oraz procesów, jakie zaszły na powierzchni włókien szklanych pokrytych...
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Facile synthesis of accordion-like porous carbon from waste PET bottles-based MIL-53(Al) and its application for high-performance Zn-ion capacitor
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Full CI ground state potential energy curves and one-electron relativistic corrections for hydrogen molecule in various basis sets
Open Research DataThis dataset consists of Full CI ground state Born-Oppenheimer potential energy curves and one-electron relativistic corrections for hydrogen dimer. Nonrelativistic energies, as well as one electron relativistic corrections (treated perturbatively with help of the Cowan-Griffin Hamiltonian) are presented for internuclear distances between 0.8 and 10...
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Toward mechanosynthesis of diamondoid structures: vii. simple strategy of building atomically perfect spm tip through attachment of c60 molecule to commercial silicon tip by controlled hydrogen atom desorption from tip asperity si(111) silicon surface
PublicationZaproponowano strategię unieruchomienia cząsteczki c60 na ostrzu chandlowego czujnika spm zbudowanego z krzemu. strategia składa się z czterech prostych etapów i prowadzi do ostrza spm o atomowo zdefiniowanej budowie. modelowanie właściwości ostrza sugeruje, że mogło by ono mieć zastosowanie w mechanosyntezie.
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Lower rim substituted tert-Butylcalix[4]arenes. Part 13. Interaction of calix-hydroxamates with Fe(III) and Pb(II); studies in ion-selective membrane electrodes (ISE)
PublicationPrzedmiotem pracy są badania oddziaływań pomiędzy trzema wybranymi hydroksamowymi pochodnymi t-butylo-kaliks[4]arenu i jonami metali z wykorzystaniem membranowych elektrod jonoselektywnych (ISE). Elektrody zawierające jako materiał aktywny wymienione związki jonoforowe charakteryzują się nernstowskim nachyleniem i szerokim zakresem liniowości na jony Pb(II), a także dobrą selektywnością na jony Pb(II)w stosunku do jonów UO2(II),...
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Lower Rim Substitutedp-tert-Butyl-Calix[4]arene. Part 15. Pb(II)-Ion-Selective Electrodes Based onp-tert-Butyl-calix[4]arene Thioamides
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Agnieszka Witkowska dr hab. inż.
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Lower Rim Substituted p-tert-Butyl-Calix[4]arene. Part 15. Pb(II)-Ion-Selective Electrodes Based on p-tert-Butyl-calix[4]arene Thioamides.
PublicationTetra podstawione tioamidowe pochodne para-tert-butylokaliks[4]arenu (1-5) zostały zastosowane jako jonofory w membranowych elektrodach jonoselektywnych (EJS) selektywne na kationy Pb(II). Wyznaczono współczynniki selektywności. Czwartorzędowe kaliks[4]aren-tioamidy (1,2) wykazują nadzwyczaj dobrą selektywność na kationy Pb(II) w porównaniu z kaliks[4]aren-amidami. Membrany z tymi ligandami wykazują dużą trwałość, a charakterystyki...
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Efficient, fast, simple, and eco-friendly methods for separation of toxic chromium(VI) ions based on ion exchangers and polymer materials impregnated with Cyphos IL 101, Cyphos IL 104, or D2EHPA
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ThreSpect a program for the determination of the Appearance Energies
Open Research DataDataset presents the “ThreSpect” computer program dedicated to simulating threshold energies of neutral and ionized products generated in the collisions of photons or charged particles with atoms and molecules.
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Mixed-ligand complexes of zinc(II), cobalt(II) and cadmium(II) with sulfur, nitrogen and oxygen ligands. Analysis of the solid state structure and solution behavior. Implications for metal ion substitution in alcohol dehydrogenase
PublicationScharakteryzowano strukturę heteroleptycznych kompleksów cynku(II), kobaltu(II) i kadmu(II) z 2-(2'-hydroksyetylopirydyną), tri-tert-butoksysilanotiolem i metanolem. Przy pomocy widm UV-Vis i NMR stwierdzono szybką wymianę N-liganda w roztworach tych kompleksów. Wyznaczono przesunięcia 15N NMR 2-(2'-hydroksyetylopirydyny) w kompleksach cynku(II) i kadmu(II). Na podstawie widm w podczerwieni i obliczeń DFT oszacowano względną moc...
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Data on hydrogen migration in cation-induced dissociation of furan molecules
Open Research DataThe data include furan luminescence spectra obtained in collisions with H3+ and C+ cations and theoretical spectra of OH and CH radicals published in [1].
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Raman data of based on BDD, Mn-BDD, Mn-BDD(AN) electrodes
Open Research DataRaman spectra of samples : ion implanted BDD (Mn-BDD) films; prepared by high dose (1015-1017 ions/cm2) Mn ion implantation and post-annealing treatment.
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Piotr Jasiński prof. dr hab. inż.
PeoplePiotr Jasinski obtained MSc in electronics in 1992 from the Gdansk University of Technology (GUT), Poland. Working at GUT, he received PhD in 2000 and DSc in 2009. Between 2001 and 2004 Post Doctoral Fellow at Missouri University of Science and Technology, while between 2008 and 2010 an Assistant Research Professor. Currently is an Associate Professor at Gdansk University of Technology working in the field of electronics, biomedical...
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Jarosław Chojnacki prof. dr hab. inż.
PeopleBorn in 1961 in Bydgoszcz, professional education started at the Chemical Technical Highschool (I. Łukasiewicz). He graduated from the Faculty of Chemistry at the Gdańsk University of Technology in 1986, defending the work on ion-selective electrodes. Subsequent studies were related to organic and siliconorganic synthesis and, from 2002 year on, to crystallography. The doctoral thesis concerned the Silanotiolanes of coinage metals...
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Leon Swędrowski prof. dr hab. inż.
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EFEKTYWNOŚĆ STOSOWANIA ZDERZAKÓW STYROPIANOWYCH POMIĘDZY ZDERZAJĄCYMI SIĘ KONSTRUKCJAMI STALOWYMI
PublicationPodczas wstrząsów sejsmicznych o różnym natężeniu, wielokrotnie obserwowano zjawisko zde-rzania się konstrukcji ze sobą sąsiadujących, co mogło prowadzić nawet do jej całkowitego zniszczenia. Na podstawie obserwacji, badań numeryczny i eksperymentalnych stwierdzono, że przyczyną kolizji jest niedostateczna przerwa pomiędzy konstrukcjami. Ponadto czynnikami, które również mogą doprowadzić do zderzeń są różnice w masach lub sztywnościach...
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Adolfo Poma
PeopleI am the group leader of the computational modelling of biomolecules divison at the institute of Fundamental Technological Research Polish Academy of Sciences in Poland. My group was hosted between 2021-2022 by International Centre for Research on Innovative Bio-based Materials (ICRI-BioM). In 2008, I got a Master degree in computational physics from the State University of Campinas, Brazil. Then I moved to Germany and under the...
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Depth profile of the gold-silver bimetallic structures
Open Research DataSilver and gold bimetallic layers were deposited on a silicon substrate by magnetron sputtering method. Both, Au and Ag layers had 3 nm of thickness. That prepared nanostructures were measured by XPS method. To obtain a depth profile of chemical composition, an Argon ion (Ar+) gun was used for etching surface of sample. Each cycle of etching takes 30...
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Lower Rim Substituted p-tert-Butyl Calix[4]arenes(V). Synthesis of New 5,11,17,22-tetrakis-p-tert-Butyl-25-27-bis(dialkoxyphosphorylmethoxy)calix[4] arenes and Cation Complexation Studies in Ion Selective Membrane Electrodes.
PublicationZaprezentowano syntezę i właściwości trzech nowych związków (2-4), bis podstawionych na dolnym obrzeżu grupami z resztą fosforylową. Związki te były badane jako jonofory w membranowych elektrodach jonoselektywnych (ISE) wykazując selektywność na kationy Rb+,K+ oraz duży i płaski kation guanidyniowyG+). Badano korelację pomiędzy stereo-strukturą związków a ich selektywnością w ISE. Stałe trwałości kompleksów z kationami metali...
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ThreSpect – A Program for the Determination of the Appearance Energies of Neutral and Ionized Species
PublicationCollisions of photons and charged particles with molecules lead to their excitation, ionization, and dissociation into neutral and ionized fragments. Accurately determining thresholds of the formation of particular products plays a vital role in analyzing processes occurring during these interactions. Therefore, we present a computer program, “ThreSpect,” that allows calculating threshold energies of various species generated in...
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Simulations of wave propagation and attenuation in fields of colliding ice floes
Open Research DataThis dataset contains results of numerical smulations of sea ice-wave interactions, corresponding to laboratory experiments conducted at the Large Ice Model Basin (LIMB) at the Hamburg Ship Model Basin (HSVA) as part of the LS-WICE ("Loads on Structure and Waves in Ice"; https://zenodo.org/record/1067170#.XrLt_dhpxhE) project. THe simulations were conducted...
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Depth profile of the chemical composition of the Au-Ag multilayers
Open Research DataSilver and gold multilayers were deposited on a silicon substrate by magnetron sputtering method. Both type, Au and Ag thin films had 2 nm of thickness. Totally structure had thickness of 6 nm (Au-Ag-Au). That prepared multilayers were measured by XPS method. To obtain a depth profile of chemical composition, an Argon ion (Ar+) gun was used for etching...
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NUMERICAL ANALYSIS OF RUBBER BUMPERS INFLUENCE ON THE COLLIDING STEEL STRUCTURES
PublicationProblem of collisions of neighbouring structures is one of the important issues related to the safety of civil engineering structures. The safety and reliability of steel structures under impact loading is among a number of different aims during the design state. The aim of this paper is to present the results of numerical investigation of dynamic behavior of closely-separated steel structures under seismic excitation. Modal and transient...
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Aqueous Biphasic Systems Using Chiral Ionic Liquids for the Enantioseparation of Mandelic Acid Enantiomers
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The spontaneous electron emission and rotational predissociation lifetimes of the diatomic silver anion
Open Research DataThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Interfacial water controls the process of adsorption of hyperactive antifreeze proteins onto the ice surface
PublicationA mechanism of interactions between the ice-binding surface of a hyperactive antifreeze protein molecule and the ice surface is proposed, involving the influence of water present between the two surfaces on the behavior of the approaching molecule. It is demonstrated that the interfacial water, even before its full solidification, can act as a factor that pushes away or pulls nearer the protein molecule to ensure its proper positioning....
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Conformation analysis and semiclassical dynamics study of charge exchange process induced by collision of C2+ ions with tetrahydrofuran
PublicationWe present the results of recent investigations of charge transfer processes in the collisions of C²⁺ ions with heterocyclic molecules of tetrahydrofuran.
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Depth XPS profile of Fe-S layers on a titanium substrate
Open Research DataDepth XPS profile of Fe-S layers on a titanium substrate was measured. Material was etched by Argon ion gun and measured by XPS method. For each sample, three times per 10 minutes each was sputtered.
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Równolegle przebiegające procesy separacji pianowej jonów Al(III), Cu(II) i Zn(II) z roztworów ich mieszanin
PublicationMetody flotacji jonowej i precypitacyjnej należą do procesów separacji pianowej, wykorzystujących zdolność selektywnej adsorpcji niektórych składników roztworu na powierzchni międzyfazowej gaz – ciecz. Do zalet separacji pianowej zalicza się m.in. niewysokie koszty inwestycyjne i eksploatacyjne oraz wysoką skuteczność w obróbce roztworów rozcieńczonych. Celem pracy jest ocena wpływu kluczowych parametrów na wydajność i przebieg...
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DETERMINATION OF ADDITIONAL TENSION IN TOWED STREAMER CABLE TRIGGERED BY COLLISION WITH UNDERWATER MOVING OBJECT
PublicationThe paper deals with issues connected with the behaviour of a streamer cable towed by a survey seismic vessel when the cable undergoes a strike triggered by collision with an underwater moving object. The consequences of such collisions may be both threat to the life of marine animals or damage to underwater units and large economic losses suffered by vessel owners. The risk of such collisions has increased over the last years...
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A BODIPY‐Based Molecular Rotor in Giant Unilamellar Vesicles: A Case Study by Polarization‐Resolved Time‐Resolved Emission and Transient Absorption Spectroscopy
PublicationBODIPY and BODIPY-derived systems are widely applied as fluorophores and as probes for viscosity detection in solvents and biological media. Their orientational and rotational dynamics in biological media are thus of vital mechanistic importance and extensively investigated. In this contribution, polarization-resolved confocal microscopy is used to determine the orientation of an amphiphilic BODIPY-cholesterol derivative in homogeneous...
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Numerical study on pounding between two adjacent buildings under earthquake excitation
PublicationSeismic excitation, which results in large horizontal relative displacements, may cause collisions between two adjacent structures due to insufficient separation distance between them. Such collisions, known as earthquake-induced structural pounding, may induce severe damages. In this paper, the case of pounding between two adjacent buildings is studied by the application of single degree-of-freedom structural models. Impact is...
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The response of three colliding models of steel towers to seismic excitation
PublicationA number of past and recent observations have confirmed that collisions between adjacent, insufficiently-separated structures occurring as a result of seismic excitation (structural pounding) may result in serious damage to structural elements and can even lead to their total destruction. This paper summarises the results obtained from a shaking table experimental study which investigated structural pounding between three adjacent...
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Depth XPS profile of vanadium pentoxide
Open Research DataVanadium pentoxide sample was manufactured by sol-gel method and deposited on a substrate by spin coating technique. To determine depth profile of chemical composition of thin film, etching by Argon ion gun was used. Thin film was etched three times. Chemical composition was measured by XPS method.
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The luminescence study of SrAl11.88−xGaxO19:0.12Cr3+ coumpounds.
Open Research DataPortable near-infrared (NIR) light sources are in high demand for applications in spectroscopy, night vision, bioimaging, and many others. Typical phosphor designs feature isolated Cr3+ ion centers, and it is challenging to design broadband NIR phosphors based on Cr3+–Cr3+ pairs. Here, we explore the solid-solution series SrAl11.88–xGaxO19:0.12Cr3+...
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<i>N,N</i>'-diphenylthiourea acetone monosolvate
PublicationIn the title compound, C13H12N2S·C3H6O, the phenyl rings of the thiourea molecule are in syn and anti positions in relation to the C=S bond. Two molecules are connected by N-HS=C hydrogen bonds into a centrosymmetric dimer. An additional N-HO=C hydrogen bond to the acetone solvent molecule and some weak C-H interactions reinforce the crystal structure.
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Diphosphination of CO2 and CS2 mediated by frustrated Lewis pairs - catalytic route to phosphanyl derivatives of formic and dithioformic acid
PublicationThe first example of CO2 diphosphination is described. Reactions of unsymmetrical diphosphanes with CE2 (E = O, S) catalyzed by BPh3 insert a CE2 molecule into the P-P bond with formation of the products of the general formula R2P-E-C(=E)-PR2. The obtained CO2 adducts arise from synergistic interaction of diphosphane and borane with CO2 molecule.