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Search results for: MMR
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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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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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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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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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Analysis of MDR genes expression and cross-resistance in eight drug resistant ovarian cancer cell lines
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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 Effect of Long-Term Annealing on Microstructure of Aluminide Coatings Deposited on MAR M200 Superalloy by CVD Method
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Conformational Studies of Two Bradykinin Antagonists by Using Two-dimensional NMR Techniques and Molecular Dynamics Simulations
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Role of miR-15b/16–2 cluster network in endometrial cancer: An in silico pathway and prognostic analysis
PublicationEndometrial cancer (EC) is the second most common cancer in women. A large number of human cancers exhibit dysregulation of microRNA expression including EC. MiR-15b/16–2 is one of the best-known miRNA clusters that is expressed in many types of cancer tissues. Herein, we analyzed the expression of individual miR-15b/16–2 cluster members, its paralogues, and their target network analysis, as well as their prognostic significance...
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Role of miR-15b/16–2 cluster network in endometrial cancer: An in silico pathway and prognostic analysis
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Thermal Barrier Stability and Wear Behavior of CVD Deposited Aluminide Coatings for MAR 247 Nickel Superalloy
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Molecular mobility of water protons under interaction with chemically modified starches. DSC and HMR-relaxation investigations
PublicationThe change of water protons mobility in the system chemically modified starches – water were investigated by DSC and NMR-relaxation methods. The amount of unfrozen water at subzero temperature as well as additional unfrozen water which appears after gelatinization have lower values for chemically modified starches in comparison with the native starch. The proton spin-spin relaxation time Т2 for chemically modified starch samples,...
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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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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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Efficiency of landfill leachate treatment in a MBR/UF system combined with NF, with a special focus on phthalates and bisphenol A removal
PublicationIn this study, a pilot-scale membrane bioreactor (MBR) was operated at a municipal solid waste plant (MSWP) to treat a mixture of landfill leachates (LLs) obtained from modern (MP-LLs) and previous (PP-LLs) waste cells. The MBR unit combined anoxic and aerobic zones with external ultra- and nanofiltration (MBR/UF and MBR/UF/NF, respectively). In addition to the removal of macropollutants, special attention was given to phthalates...
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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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Matrix metalloproteinase 9 (MMP-9) is indispensable for long term potentiation in the central and basal but not in the lateral nucleus of the amygdala
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Synthesis of new antrapyridazone derivatives - a novel group of anticancer agents active on a multidrugresistant(MDR) tumor cell lines
PublicationNovel antrapyridazone derivatives were synthesized and biologically evaluated in order tobroaden the data on structure-activity relationship of this class of cytostatics. Recent literaturedata prove that acetamides react better with aryl chlorides. A new approach based onintroduction of other amides form into aromatic ring in Ullmann was tested. This new methodcould give better yields and make purification step more convenient.
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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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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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LF NMR spectroscopy analysis of water dynamics and texture of Gluten-Free bread with cricket powder during storage
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Nondestructive Methodology for Identification of Local Discontinuities in Aluminide Layer-Coated MAR 247 during Its Fatigue Performance
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An MOR Algorithm Based on the Immittance Zero and Pole Eigenvectors for Fast FEM Simulations of Two-Port Microwave Structures
PublicationThe aim of this article is to present a novel model-order reduction (MOR) algorithm for fast finite-element frequency-domain simulations of microwave two-port structures. The projection basis used to construct the reduced-order model (ROM) comprises two sets: singular vectors and regular vectors. The first set is composed of the eigenvectors associated with the poles of the finite-element method (FEM) state-space system, while...
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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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Badania składu chemicznego materiału rury 323,90x12,70 mm
PublicationWykonano badania składu chemicznego materiału rury i dokonano oceny zgodności z atestem i normą.
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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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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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FTIR, NMR and kinetic studies of proton transfer reactions from nitro-substituted diarylmethanes to N-bases with guanidine character
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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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SPRAWDZENIE MOŻLIWOŚCI TRANSPORTU ROLKI MSR-1 Z NAWINIĘTYM RUROCIĄGIEM WRAZ Z PROJEKTEM WYKONANIA WZMOCNIENIA ROLKI
PublicationPrzeprowadzone obliczenia miały na celu sprawdzenie możliwości transportu rolki MSR‐1 z nawiniętym na bęben rurociągiem o masie całkowitej 110 ton. NA skutek wykrycia zbyt wysokich naprężeń w strukturze rolki wykonano projektu jej wzmocnienia w miejscach najbardziej wytężonych. W pracy wykorzystano metodę MES oraz modelowanie 3D.
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MRM–MS of marker peptides and their abundance as a tool for authentication of meat species and meat cuts in single-cut meat products
PublicationThe abundance of protein markers in different types of meat cuts was explored in the context of authentication of raw meat (pork, beef and chicken) and processed meat products. Peptides originating from myoglobin (Mb) and myosin (My) were analyzed using multiple reaction monitoring mass spectrometry (MRM–MS). Analytical protocol was optimized for good repeatability (CV < 10%) and high sensitivity. The MS signal intensity of Mb...
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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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On the design of planar high directivity proximity couplers in the mm-wave range
PublicationPrzedyskutowano problemy projektowania sprzęgaczy zbliżeniowych wykonywanych w technologii planarnej i przeznaczonych do pracy w zakresie fal milimetrowych. Zasadniczym celem badań było zaprojektowanie, wykonanie i przebadanie układu sprzęgacza o wysokiej kierunkowości i umiarkowanym poziomie sprzężenia pracującego w zakresie 40-50GHz. Przedyskutowano i zamodelowano różne konfiguracje sprzęgaczy. Stwierdzono, że znane zasady projektowania...
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Towards modelling of the environmental fate of pharmaceuticals using the QSPR-MM scheme
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Assessment of hydrogenation of deposited metal of P 62 MR covered electrodes
PublicationThe determination of diffusible hydrogen content in deposited metal of P 62 MR covered electrodes for manual metal arc welding by mercury method was carried out. The test results indicate that covered electrodes 62 P MR grade generate a mean of 4.02 ml/100g of diffusible hydrogen in deposited metal, which is consistent with H5 class.
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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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Ensemble fits of restrained peptides’ conformational equilibria to NMR data. Dependence on force fields: AMBER/8 ff03 versus ECEPP/3
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