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Search results for: NMR WEGLOWY
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Chiral analysis of chloro intermediates of methylamphetamine by one-dimensional and multidementional NMR and GC/MS
PublicationImpurity profiling and classification of abused drugs using chiral analytical techniques is of particular interest and importance because of the additional information obtained fromthis approach. When these methods are applied to the synthesis of illicitly used substances, they can supply valuable information about the conditions/chemicals used in the synthesis. We have applied GC and NMR methods to the study of intermediates found...
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Otrzymywanie i właściwości materiałów anodowych zawierających nanokompozyty krzemionkowo-węglowe do ogniw litowo–jonowych
PublicationWzrost zapotrzebowania na urządzenia elektrochemiczne do magazynowania i konwersji energii elektrycznej prowadzi do postępu w badaniach nad materiałami elektrodowymi i elektrolitami. W zakresie badań nad nowymi materiałami elektrodowymi do baterii litowo - jonowych (LIB) najbardziej obiecującym wydaje się być krzem. Jednakże krzem podlega drastycznym zmianom objętości w procesie wprowadzania i wyprowadzania jonów litu. Alternatywnym...
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FTIR and NMR studies of bis(oxaalkyl) sulphates(IV) and their complexes with proton and some metal cations
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Characterization of Bioactivity of Selective Molecules in Fruit Wines by FTIR and NMR Spectroscopies, Fluorescence and Docking Calculations
PublicationFourier transform infrared (FTIR) and proton nuclear magnetic resonance (1H NMR) spectroscopies were applied to characterize and compare the chemical shifts in the polyphenols’ regions of some fruit wines. The obtained results showed that FTIR spectra (1800–900 cm−1) and 1H NMR (δ 6.5–9.3 ppm) of different fruit wines can be used as main indices of the year of vintage and quality of fruit wines. In addition to the classical determination...
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Study of Aliphatic Polyurethanes by the Low-Field 1H NMR Relaxometry Method with the Inversion of the Integral Transformation
PublicationIn this paper, the distributions of the 1H nuclear magnetic resonance (NMR) spin–lattice and spin–spin relaxation times are used to characterize the mobility of different sections of macromolecules of aliphatic polyurethanes and the cross-linking density of polymer chains. The NMR relaxometry method with inversion of integral transformation is applied to study the effect of poly (ethylene glycol) and glycerol phosphate calcium...
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Bonding in Phosphanylphosphinidene Complexes of Transition Metals and their Correlation with Structures, 31 P NMR Spectra, and Reactivities
PublicationTheoretical studies of the bonding interactions and most important properties are carried out for isolable phosphanylphosphinidene complexes of transition metals. Three main types of phosphanylphosphinidene complexes are distinguished, based on the way in which the phosphanylphosphinidene ligand bonds to the metal center: (i) side-on complexes of platinum, where the R2Pβ–Pα ligand mimics structural features of free singlet phosphanylphosphinidenes...
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Selective adsorption of BTEX on calixarene-based molecular coordination network determined by 13C NMR spectroscopy
PublicationBenzene, toluene, ethylbenzene, and xylenes (BTEX), a class of volatile organic compounds, are harmful pollutants but also very important precursors in organic industrial chemistry. Among different approaches used for the BTEX treatment, the adsorption technology has been recognized as an efficient approach because it allows to recover and reuse both adsorbent and adsorbate. However, the selective adsorption of the components is...
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A DSC and NMR-Relaxation study of the molecular mobility of water protons interacting with chemically modified starches
PublicationChanges in the mobility of water protons in the chemically modified starches (CMS)–water system are studied by differential scanning calorimetry and NMR relaxation. The amounts of unfrozen water at negative temperatures and additional (after gelation) unfrozen for CMS are lower than those for native starch. The proton spin–spin relaxation time T2 for CMS samples, conventionally attributed to the water fraction in starch granules,...
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Badania NMR oligo(alkileno-estro-etero)dioli monomerów do syntezy elastomerów uretanowych.
PublicationPrzedstawiono wyniki badań NMR uzyskane dla oligo(alkileno-estro-etero)dioli otrzymanych w wyniku polikondensacji kwasu adypinowego z mieszaniną glikolu etylenowego i alfa- i gama-dihydroksy-oligooksypropylenu o Mn=450g/ml.
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Substituent effects on ^15N NMR chemical shifts in selected N-alkylthiohydroxamic acids. A comparative study
PublicationNa podstawie widm 15N NMR przeanalizowano wpływy podstawników wybranych kwasów tiohydroksamowych na przesunięcia chemiczne N-15. Analiza porównawcza z przesunięciami chemicznymi strukturalnie podobnych amidów, tioamidów i kwasów hydroksamowych pozwoliła na stwierdzenie, że nie zatłoczenie steryczne a grupa N-OH jest odpowiedzialna za osłabienie efektów odsłaniających zarówno podstawników bezpośrednio związanych z atomem azotu jak...
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Badanie NMR oligo(alkileno-estro-etero)dioli - monomerów do syntezy elastomerów uretanowych
PublicationCelem pracy było ustalenie rozkładu merów w zsyntezowanych oligo(alkileno-estro-etero)diolach. Ich budowę scharakteryzowano na podstawie danych z analizy widm ^1H NMR, których interpretacji dokonano wykorzystując widma COSY. Z wartości integracji odpowiednich sygnałów ustalono średnią długość cząsteczki polimeru i stopień przereagowania substratów reakcji. Bardziej szczegółowe informacje o strukturze, w tym o rozkładzie różnych...
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Reaction of bis[bis(tri-tert-butoxysilanethiolato)cadmium(II)] with 3,5-dimethylpyridine - 113Cd NMR Solution study
PublicationAnaliza 113Cd NMR dla reakcji bis[bis(tri-tert-butoksysilanotiolanu)kadmu(II)] z 3,5-dimetylopirydyną została przeprowadzona w roztworze benzenu-d6 i toluenu-d8. Otrzymane wyniki wskazują, że w roztworze istnieje równowaga pomiędzy powstającymi mieszanymi kompleksami kadmu z ligandami siarkowymi i azotowymi.
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Conformational Studies of Two Bradykinin Antagonists by Using Two-dimensional NMR Techniques and Molecular Dynamics Simulations
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Conformational studies of [Nphe5]SFTI-1 by means of 2D NMR spectroscopy in conjunction with molecular dynamics calculations
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Structure determination of UL49.5 transmembrane protein from bovine herpesvirus 1 by NMR spectroscopy and molecular dynamics
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The interactions of monomeric acridines and unsymmetrical bisacridines (UAs) with DNA duplexes: an insight provided by NMR and MD studies
PublicationMembers of a novel class of anticancer compounds, exhibiting high antitumor activity, i.e. the unsymmetrical bisacridines (UAs), consist of two heteroaromatic ring systems. One of the ring systems is an imidazoacridinone moiety, with the skeleton identical to the structural base of Symadex. The second one is a 1-nitroacridine moiety, hence it may be regarded as Nitracrine’s structural basis. These monoacridine units are connected...
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Spektroskopia Bliskiej Podczerwieni NIR
PublicationSpektroskopia bliskiej podczerwieni (NIR) odgrywa coraz większą rolę w analizie ilościowej i jakościowej. Zaletami wykorzystywanej techniki NIR są: 1) nieniszczący, nieinwazyjny charakter analizy, 2) brak konieczności przygotowania próbki przed analizą, 3) prostota i szybkość wykonania rutynowej analizy, 4) wysoka czułość, 5) niski koszt, 6) uzyskanie kompleksowego obrazu badanego materiału, 7) zwiększenie bezpieczeństwa pracy...
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NMR relaxation enhancement in gels polymerized and cross-linked by ionizing radiation: A new approach to 3D dosimetry by MRI
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Solution conformational study of Scyliorhinin I analogues with conformational constraints by two-dimensional NMR and theoretical conformational analysis
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Use of NMR and Fluorescence Spectroscopy as well as Theoretical Conformational Analysis in Conformation-activity Studies of Cyclic Enkephalin Analogues
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Micelle-bound conformations of neurohypophyseal hormone analogues modified with a Cα-disubstituted residue: NMR and molecular modelling studies
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Conformational studies of vasopressin and mesotocin using NMR spectroscopy and molecular modelling methods. Part I: studies in water
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LF NMR spectroscopy analysis of water dynamics and texture of Gluten-Free bread with cricket powder during storage
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Reaction of bis[bis(tri‐tert‐butoxysilanethiolato) cadmium(II)] with 3,5‐dimethylpyridine ‐ 113Cd NMR solution study
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X-ray diffraction and high-resolution NMR spectroscopy of methyl 3azido-2,3-dideoxy-ŕD-lyxo-hexopyranoside
PublicationOpisano strukturę 3-azydo-2,3 dideoksy-ŕ-d-lykso-heksopiranozydu metylu na podstawie danych otrzymanych przy pomocy rentgenowskiej analizy strukturalnej oraz wysokorozdzielczej spektroskopii magnetycznego rezonansu jądrowego. Przedyskutowano również wpływ pierścieniowego atomu tlenu na wartości stałych sprężeń atomów wodoru przy atomach C6 i C1 pierścienia 2-deoksy-D-lyksooraz-D-ksylo-heksopiranozydów.
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Study of the Effect of Filling Thermoplastic Medical Polyurethane with PVA, PLA or Diatomite on the Relaxation Times Distributions of 1H NMR
PublicationIn this work, to characterize the mobility of diferent sections of the macromole‑ cules of polyurethane (PUR), polyvinyl alcohol (PVA), and polylactic acid (PLA), as well as the density of crosslinks of the polymer chains when using fllers, we used the distributions of spin–lattice and spin–spin relaxation times for the protons. It is shown that the rigidity of the thermoplastic polymers depends on the sizes of the granules of...
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Morphology and mechanical properties of polyamide/clay nanocomposites toughened with NBR/NBR-g-GMA: A comparative study
PublicationThis work highlights the importance of nanoclay dispersion state in the nanocomposites containing polyamide 6 (PA6), nanoclay and elastomers as well as clay localization at the interface of thermoplastic/elastomer. Morphology and mechanical properties of a series of nanocomposites containing acrylonitrile butadiene rubber (NBR), glycidyl methacrylate-grafted NBR (NBR-g-GMA), and combined NBR/NBR-g-GMA were compared and discussed...
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Application of NIR and Raman Spectroscopy in Biotechnology
PublicationStudium Press LLC, U.S.A.
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Wpływ rodzaju zbrojenia i kolejności ułożenia warstw na tolerancję zniszczeń wywołanych udarami o małej prędkości z laminatów epoksydowych zbrojonych włóknem węglowym, szklanym, Kevlarowym i hybrydowych
PublicationPorównano zachowanie pod obciążeniem statycznym i udarowym laminatów epoksydowych zbrojonych tkaniną węglową lub szklaną z właściwościami laminatów hybrydowych zawierających zarówno zbrojenia szklane jak i węglowe w różnej ilości i układzie geometrycznym.
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FTIR, NMR and kinetic studies of proton transfer reactions from nitro-substituted diarylmethanes to N-bases with guanidine character
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IR–Raman, NMR and density functional methods in the examination of tautomerism and features of N-methyl substituted 9-acridinamine derivatives
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Conformational studies of vasopressin and mesotocin using NMR spectroscopy and molecular modelling methods. Part II: studies in the SDS micelle
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Potent antidiuretic agonists, deamino-vasopressin and desmopressin, and theirinversoanalogs: NMR structure and interactions with micellar and liposomic models of cell membrane
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Influence of bulky 3,3′-diphenylalanine enantiomers replacing position 2 of AVP analogues on their conformations: NMR and molecular modeling studies
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Chemical Characteristics and Thermal Oxidative Stability of Novel Cold-Pressed Oil Blends: GC, LF NMR, and DSC Studies
PublicationPlant oils contain a high content of unsaturated fatty acids. Studies of food products have revealed a considerable disproportion in the ratio of ω6 to ω3. This article presents information on the healthful qualities of eight new oil blends that contain a beneficial proportion of ω6 to ω3 fatty acids (5:1), as well as their degradation during heating at 170 and 200 °C. The fatty acid profile was analyzed by gas chromatography (GC),...
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Interaction of cisplatin and two potential antitumoral platinum(ii) complexes with a model lipid membrane: a combined NMR and MD study
PublicationIn this study, the interaction of cisplatin (1) and two potential antitumoral Pt(II) complexes (2 and 3) with a model DMPC bilayer was investigated by multinuclear NMR spectroscopy and MD simulations in order to understand its implication for the different antitumoral properties shown by the three complexes. In particular, 31P, 13C and 2H solid state NMR experiments were performed to obtain information on the phase structure, phase...
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Local Conformation and Cocrystallization Phenomena in Renewable Diaminoisoidide-Based Polyamides Studied by FT-IR, Solid State NMR, and WAXD
PublicationBiobased polyamides synthesized from diaminoisoidide (DAII), 1,4-diaminobutane, and sebacic acid are investigated by FT-IR, 13C{1H} magic-angle spinning/cross-polarization (CP/MAS) NMR spectroscopy, and WAXD. Their molecular conformation and mobility undergo distinct changes as a function of temperature and diaminoisoidide content in the compositions. The presence of randomly distributed diaminoisoidide (DAII) in the polyamides...
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Arginine-, d-arginine-vasopressin, and their inverso analogues in micellar and liposomic models of cell membrane: CD, NMR, and molecular dynamics studies
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Structural elucidation of transmembrane transporter protein bilitranslocase: Conformational analysis of the second transmembrane region TM2 by molecular dynamics and NMR spectroscopy
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Badanie mieszanek łoju wołowego z ciekłym i uwodornionym olejem rzepakowym przy użyciu metod DSC i NMR.
PublicationBadano właściwości fizyczne mieszanek łoju wołowego z uwodornionym i ciekłym olejem rzepakowym o różnym składzie procentowym, wykorzystując metodę skaningowej kalorymetrii różnicowej (DSC) oraz metodę pulsacyjnego NMR. Analizowane tłuszcze przed oznaczeniem zawartości fazy stałej termostatowano w różny sposób. Takie same etapy termostatowania zastosowano przed wyznaczeniem krzywych topnienia metodą DSC.
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Using MusicXML to evaluate accuracy of OMR Systems
PublicationIn this paper a methodology for automatic accuracy evaluation in optical music recognition (OMR) applications is proposed. Presented approach assumes using ground truth images together with digital music scores describing their content. The automatic evaluation algorithm measures differences between the tested score and the reference one, both stored in MusicXML format. Some preliminary test results of this approach are presented...
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Ensemble fits of restrained peptides’ conformational equilibria to NMR data. Dependence on force fields: AMBER/8 ff03 versus ECEPP/3
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Influence of Leu5 configuration on the equilibrium constants of complexes of [Leu]-enkephalin with β-cyclodextrin studied by fluorescence spectroscopy, microcalorimetry and 1H NMR spectroscopy
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Spectroscopic studies on physicochemical properties of selected unsymmetrical bisacridine derivatives and NMR analysis of their interactions with the model sequence Pu22 aided by molecular dynamics
PublicationIn recent years, new promising acridine derivatives have appeared, belonging to the unsymmetrical bisacridines (UAs) family with high anticancer activity. Both their physicochemical properties and their mechanism of action at the molecular level have not been thoroughly analyzed so far. Four derivatives were selected for the study, termed as: C-2028, C-2041, C-2045 and C-2053. The first aim of this work was to determine the protonation...
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Robert Bogdanowicz dr hab. inż.
PeopleRobert Bogdanowicz received his Ph.D. degree with honours in Electronics from the Gdansk University of Technology. He worked as a post-doc researcher in Ernst-Moritz-Arndt-Universität Greifswald Institut für Physik. He has initiated optical emission imaging of muti-magnetron pulsed plasma and contributed to the development of antibacterial implant coatings deposited by high-power impulse magnetron sputtering. He moved back to...
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Hybridization-driven gap inU3Bi4Ni3: AB209iNMR/NQR study
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Białka prokariotycznego systemu MMR: rola oraz interakcje
PublicationUszkodzenia komórkowego DNA w postaci błędnie sparowanych lub niesparowanych zasad azotowych są wynikiem niewłaściwie zachodzących procesów metabolizmu DNA, takich jak replikacja, rekombinacja oraz naprawa DNA. Utrwalenie tego rodzaju zmian prowadzi do powstania mutacji. System MMR (ang. DNA mismatch repair) usuwa te uszkodzenia przyczyniając się do zwiększenia wierności replikacji DNA oraz utrzymania stabilności genomu komórki....
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NMR studies of new arginine vasopressin analogs modified with α-2-indanylglycine enantiomers at position 2 bound to sodium dodecyl sulfate micelles
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The Arctic mutation alters helix length and type in the 11–28 β-amyloid peptide monomer—CD, NMR and MD studies in an SDS micelle
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Intercalation complex of imidazoacridinone C-1311, a potential anticancer drug, with DNA helix d(CGATCG)2: stereostructural studies by 2D NMR spectroscopy.
PublicationImidazoacridinone C-1311 (Symadex®) is a powerful antitumor agent, which successfully made its way through the Phase I clinical trials and has been recommended for Phase II few a years ago. It has been shown experimentally that during the initial stage of its action C-1311 forms a relatively stable intercalation complex with DNA, yet it has shown no base-sequence specificity while binding to DNA. In this paper, the d(CGATCG)2:C-1311...