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Wyniki wyszukiwania dla: nmr 1h 13c
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Solvent influence on the crystal structures of new cadmium tri-tert -butoxysilanethiolate complexes with 1,4-bis(3-aminopropyl)piperazine: luminescence and antifungal activity
PublikacjaMonocrystals of dinuclear -1,4-bis(3-aminopropyl)piperazine-4N1,N10:N4,N40-bis[bis(tri-tert-butoxysilanethiolato-S)cadmium(II)], [Cd2(C12H27O3SSi)4(C10-H24N4)] or [Cd2{SSi(OtBu)3}4(-BAPP)], 1, and polynuclear catena-poly[[bis-(tri-tert-butoxysilanethiolato-S)cadmium(II)]--1,4-bis(3-aminopropyl)piperazine-2N10:N40], [Cd(C12H27O3SSi)2(C10H24N4)]n or [Cd{SSi(OtBu)3}2(-BAPP)]n,2, with 1,4-bis(3-aminopropyl)piperazine (BAPP)...
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Solvent influence on the crystal structures of new cadmium tri-tert -butoxysilanethiolate complexes with 1,4-bis(3-aminopropyl)piperazine: luminescence and antifungal activity
PublikacjaMonocrystals of dinuclear 1,4-bis(3-aminopropyl)piperazine-�4N1,N10:N4,N40-bis[bis(tri-tert-butoxysilanethiolato-�S)cadmium(II)], [Cd2(C12H27O3SSi)4(C10-H24N4)] or [Cd2{SSi(OtBu)3}4(�-BAPP)], 1, and polynuclear catena-poly[[bis- (tri-tert-butoxysilanethiolato-�S)cadmium(II)]-�-1,4-bis(3-aminopropyl)piperazine-�2N10:N40], [Cd(C12H27O3SSi)2(C10H24N4)]n or [Cd{SSi(OtBu)3}2(�-BAPP)]n, 2, with 1,4-bis(3-aminopropyl)piperazine (BAPP)...
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(4-Hydroxymethyl-1H-imidazole-κN3)bis(tri-tert-butoxysilanethiolato-κ2O,S)cadmium(II)
PublikacjaAtom kadmu w tytułowym kompleksie jest koordynowany przez pięć atomów: 2 atomy tlenu i dwa atomy siarki z chelatujących ligandów silanotiolanowych oraz atom azotu pochodnej imidazolu. Kompleks ten jest izostrukturalny z opisanym wcześniej analogicznym związkiem cynku.
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Similarities and differences in d6 low-spin ruthenium, rhodium and iridium half-sandwich complexes: synthesis, structure, cytotoxicity and interaction with biological targets
PublikacjaIn this paper, we discussed the similarities and diferences in d6 low-spin half-sandwich ruthenium, rhodium and iridium complexes containing 2,2′-biimidazole (H2biim). Three new complexes, {[RuCl(H2biim)(η6 -p-cymene)]PF6}2·H2O (1), [(η5 - Cp)RhCl(H2biim)]PF6 (2), and [(η5 -Cp)IrCl(H2biim)]PF6 (3), were fully characterized by CHN, X-ray difraction analysis, UV–Vis, FTIR, and 1 H, 13C and 15N NMR spectroscopies. The complexes exhibit...
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Mass Spectrometric Identification of 13C-Labeled Metabolites DuringAnaerobic Propanoic Acid Oxidation
PublikacjaBiowaste digestion is a possibility to gain biogas as a renewable fuel source. However, the anaerobic food chain may be disrupted by, e.g., substrate overload or by inhibitors, leading to the accumulation of volatile fatty acids (VFAs), predominantly of propanoic acid (PA). VFA Accumulation may cause a rapid pH decrease, less biogas production, or even a total inhibition. To maintain high biogas productivity or to prevent a collapse...
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Investigation on domestic fruits seed oils in personal care emulsion systems
PublikacjaThe use of fruit seed oils in personal care products is of significance to both their function and image. Poland is an important processor of fruit products within the EU, and thus has a large availability of seeds from domestic fruits, which are normally considered to be a waste material. Unfortunately, current literature is scarce of the suitability of these oils for topical use in the form of cosmetic emulsions. Published data...
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Effect of bio-based components on the chemical structure, thermal stability and mechanical properties of green thermoplastic polyurethane elastomers
PublikacjaIt seems to be obvious that conditions changes during polyols synthesis have impact on the polyols properties. Even the chemical formula is the same or similar, physicochemical properties and also molecular weight of polyols might be different and are significant in term of future polyurethanes properties and processing. In this work, fully bio-based poly(propylene succinate)s synthesized at different temperature conditions were...
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Chemiluminogenic acridinium salts: A comparison study. Detection of intermediate entities appearing upon light generation
PublikacjaThe nine derivatives of acridine-9-carboxylic acid (CMADs) capable for chemiluminescence (CL), representing various classes of compounds were isolated in a chemically pure state (assessed by RP-HPLC) and identified using high resolution mass spectrometry (ESI-QTOF) and magnetic resonance (1H NMR) techniques. Among them are aryl acridinium esters, containing certainly selected and located substituents in both aromatic systems, an...
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Mass spectrometric identification of 13C-Labeled metaboloites during anaerobic propanoic acid oxidation
PublikacjaBiowaste digestion is a possibility to gain biogas as a renewable fuel source. However, the anaerobic food chain may be disrupted by, e.g., substrate overload or by inhibitors, leading to the accumulation of volatile fatty acids (VFAs), predominantly of propanoic acid (PA). VFA Accumulation may cause a rapid pH decrease, less biogas production, or even a total inhibition. To maintain high biogas productivity or to prevent a collapse...
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NMR IN BIOMEDICINE
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Medium-sized cyclic bis(anisylphosphonothioyl)- disulfanes and their corresponding cyclic sulfane-structures and most characteristic reactions
PublikacjaCyclic 8-, 9-, 10-, and 12-membered bis(anisylphosphonothioyl)disulfanes were synthesized. Next, structurally related 7 to 9-membered cis and trans sulfanes were isolated as a result of sulfur atom extrusion from the parent cyclic disulfanes. The results of the desulfurization of the disulfanes were compared to the results obtained for desulfurization of the respective bis(anisylphosphodithioates). Cyclic disulfanes predominantly...
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NMR dispersion studies of poly(ethylene oxide)/sodium montmorillonitenanocomposites
PublikacjaPraca prezentuje wyniki badań dotyczące struktury nanokompozytów opartych na matrycy poli(tlenku etylenu) zawierającej montmorylonit sodowy. Układy zawierające PEO/MMT scharakteryzowano metodami NMR (Fast Field Cycling NMR), DSC oraz XRD.
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Kompleksy fosfidowe żelaza: synteza, struktura i właściwości
PublikacjaKompleksy żelaza, w porównaniu ze związkami innych metali przejściowych, są obiecującymi materiałami do otrzymywania szerokiej gamy układów o interesujących właściwościach na co wpływ ma przede wszystkim czynnik ekonomiczny oraz niska toksyczność tego pierwiastka. Prezentowana przeze mnie rozprawa doktorska dotyczy syntezy pierwszych fosfidowych i fosfanylofosfidowych kompleksów żelaza(II) stabilizowanych ligandem β-diketiminowym...
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Synthesis of 5-Substituted 1H-Tetrazoles from Nitriles in the Presence of Heterogeneous Catalyst
PublikacjaTetrazoles are five-membered heterocyclic compounds containing in their rings four nitrogen atoms. They have wide applications as corrosion inhibitors, analytical reagents, high-energy materials and gas generating compositions. Tetrazoles also play important role in coordination chemistry as ligands and in medicinal chemistry as metabolically stable surrogates for carboxylic acids. In recent years, investigation of new method of...
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NMR-Based Structural Insight into DNA G-Quadruplex
PublikacjaEmerging as a promising area in anticancer research, noncanonical DNA structures such as G-quadruplexes are studied using NMR spectroscopy. NOESY spectra reveals crucial interactions between ligands and G-quadruplexes, helping to understand non-covalent binding mechanisms. This knowledge is essential for rational drug design targeting these structures.
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Biomolecular NMR Assignments
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JOURNAL OF BIOMOLECULAR NMR
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Two isomorphic ZnII/CoII complexes with tri-tert-butoxysilanethiol and histamine, and (4-hydroxymethyl-1H-imidazole-κN)bis(tri-tert-butoxysilanethiolato-κ2O,S)zinc(II)
PublikacjaOtrzymano dwa izomorficzne kompleksy cynku(II) i kobaltu(II) z tri-tert-butoksysilanotiolem i histaminą oraz kompleks cynku(II) z tri-tert-butoksysilanotiolem i 4(5)-hydroksymetyloimidazolem. Scharakteryzowano strukturę otrzymanych kompleksów w ciele stałym.
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LC-MS and LC-NMR as Complementary Techniques for the Determination of Pharmaceuticals in Dosage Formulations
PublikacjaPharmaceuticals contain not only pharmacologically active compounds but also a range of excipients. The danger exists that impurities may also be present in such drugs, which may adversely affect their efficacy and even endanger patient health and life. Monitoring the composition of pharmaceutical products is therefore essential. The trace amounts of such impurities in pharmaceuticals are often identified and determined with liquid...
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Chromogenic derivatives of new bis(phenylhydrazono-1H-tetrazol-5-yl-acetonitriles) - synthesis and properties
PublikacjaDerivatives of bis(phenylhydrazono-1H-tetrazol-5-yl-acetonitriles) with oxygen and sulphur atoms in the structure of aliphatic chains were successfully synthesised. The correlation between the ligand structure and its complexation properties was investigated by absorption spectroscopy. The formation of complexes of presented compounds with metal cations (Cu2+, Ni2+, Zn2+, Co2+, Fe2+ and Pb2+) was studied. Ligands 5-8 were additionally...
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A coarse‐grained approach to NMR ‐data‐assisted modeling of protein structures
PublikacjaThe ESCASA algorithm for analytical estimation of proton positions from coarse-grained geometry developed in our recent work has been implemented in modeling protein structures with the highly coarse-grained UNRES model of polypeptide chains (two sites per residue) and nuclear magnetic resonance (NMR) data. A penalty function with the shape of intersecting gorges was applied to treat ambiguous distance restraints, which automatically...
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Mass Spectrometric Identification of 13C-labeled Metabolites During anaerobic Propanoic Acid Oxidation
PublikacjaBiowaste digestion is a possibility to gain biogas as a renewable fuel source. However, the anaerobic food chain may be disrupted by, e.g., substrate overload or by inhibitors, leading to the accumulation of volatile fatty acids (VFAs), predominantly of propanoic acid (PA). VFA Accumulation may cause a rapid pH decrease, less biogas production, or even a total inhibition. To maintain high biogas productivity or to prevent a collapse...
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Elżbieta Cecerska-Heryć dr n.med.
OsobyWykształcenie i stopnie naukowe: 19.06.2018 r.ukończenie studiów doktoranckich z wyróżnieniem summa cum laudena Wydziale Lekarskim z OdziałemNauczania w Języku Angielskim PUM SzczecinStopień naukowy: doktor nauk medycznychWyższe2008-2013 Pomorski Uniwersytet Medyczny w Szczecinie Kierunek: Biotechnologia Specjalność: Biotechnologia MedycznaStudia licencjackie i magisterskieZatrudnienie...
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ANNUAL REPORTS ON NMR SPECTROSCOPY
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Badania NMR oligo(alkileno-estro-etero)dioli monomerów do syntezy elastomerów uretanowych.
PublikacjaPrzedstawiono 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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Synthesis and structure determination of 2,3-diaryl-9,9-dioxo-1H-9-thia-1,4,4a,7,10-pentaazaphenanthrene-2-ols
Publikacja3-Amino-1,1-dioxopyrido[4,3-e]-1,4,2-dithiazine has been synthesized and applied to the synthesis of 3-amino-2-(4-thioxo-1,4-dihydropyridin-3-ylsulfonyl)guanidine. The reaction of the aminoguanidine with the appropriate 1,2-diarylethane-1,2-diones afforded 2,3-diaryl-9,9-dioxo-1H-9-thia-1,4,4a,7,10-pentaazaphenanthrene-2-ol derivatives. The structure of these compounds, which represent a novel heterocyclic ring system, was confirmed...
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Chiral analysis of chloro intermediates of methylamphetamine by one-dimensional and multidementional NMR and GC/MS
PublikacjaImpurity 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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Zastosowanie metod NMR i DSC do badania mieszanek zawierających olej palmowy
PublikacjaW pracy badano olej palmowy oraz mieszanki oleju palmowego z uwodornionym lub ciekłym olejem rzepakowym o różnym składzie procentowym. W metodach NMR i DSC stosowano podobne sposoby termostatowania tzn. próbki przed analizą były termostatowane przez 1 godz. w temp 0oC (podobnie jak tłuszcz uwodorniony w normie ISO) lub przez 16 godz. w temp. 10oC (podobnie jak olej palmowy w normie ISO). Dodatkowo metodą DSC analizowano wszystkie...
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Substituent effects on ^15N NMR chemical shifts in selected N-alkylthiohydroxamic acids. A comparative study
PublikacjaNa 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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New potent STS inhibitors based on fluorinated 4-(1-phenyl-1H-[1,2,3]triazol-4-yl)-phenyl sulfamates
PublikacjaA series of fluorinated analogs based on the frameworks of 4-(1- phenyl-1H-[1,2,3]triazol-4-yl)-phenyl sulfamates have been synthesized as steroid sulfatase (STS) inhibitors. The design of chemical structures of new potential STS inhibitors was supported by molecular docking techniques to identify potential interactions between inhibitors and amino acid residues located in the STS active site. The STS inhibitory potency was evaluated...
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New potent steroid sulphatase inhibitors based on 6-(1-phenyl-1H-1,2,3-triazol-4-yl)naphthalen-2-yl sulphamate derivatives
PublikacjaIn the present work, we report a new class of potent steroid sulphatase (STS) inhibitors based on 6-(1-phenyl-1H-1,2,3-triazol-4-yl)naphthalen-2-yl sulphamate derivatives. Within the set of new STS inhibitors, 6-(1-(1,2,3-trifluorophenyl)-1H-1,2,3-triazol-4-yl)naphthalen-2-yl sulphamate 3L demonstrated the highest activity in the enzymatic assay inhibiting the STS activity to 7.98% at 0.5 µM concentration. Furthermore, to verify...
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A DSC and NMR-Relaxation study of the molecular mobility of water protons interacting with chemically modified starches
PublikacjaChanges 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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Electrochemical detection of 4,4',5,5'-tetranitro-1H,1'H-2,2'-biimidazole on boron-doped diamond/graphene nanowall electrodes
PublikacjaWe present a promising approach to the electroanalytical detection of a specific nitroaromatic explosive in landfill leachates (LLs) that originated from a municipal solid waste plant. The paper is focused but not limited to the sensing of 4,4',5,5'-tetranitro-1H,1'H-2,2'-biimidazole (TNBI) using differential pulse voltammetry and cyclic voltammetry. Highly electroactive nanocarbon was applied to determine low concentrations of...
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Bromidotetrakis(2-ethyl-1H-imidazole-κN3)copper(II) bromide
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Bromidotetrakis(2-isopropyl-1H-imidazole-κN3)copper(II) bromide
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Bromidotetrakis(2-ethyl-1H-imidazole-KN3)copper(II) bromide
PublikacjaThe CuII ion in the title complex, [CuBr(C5H8N2)4]Br, is coordinated in a square-pyramidal geometry by four N atoms of imidazole ligands and one bromide anion in the apical position. In the crystal, the ions are linked by a 3-D network of N-H---Br and CH---Br hydrogen bonds.
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NMR study of the complexes of tris(oxaalkyl) borates with SbCl5
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Bromidotetrakis(1H-2-ethyl-5-methylimidazole-κN3)copper(II) bromide
PublikacjaAtom Cu(II) w tytułowym kompleksie jest skoordynowany przez cztery atomy N obojętnych cząsteczek imidazolu oraz jon bromkowy. Jon kompleksowy ma geometrię piramidy kwadratowej. Kationy kompleksowe w krysztale tworzą układ dipoli ułożonych ''głowa do ogona'' równolegle do osi c.
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(1H-Pyrazole-κN)bis(tri-tert-butoxysilanethiolato-κ2O,S)cadmium
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Synthesis and Anticancer Activity of Mitotic-Specific 3,4-Dihydropyridine-2(1H)-thiones
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Badanie mieszanek łoju wołowego z ciekłym i uwodornionym olejem rzepakowym przy użyciu metod DSC i NMR.
PublikacjaBadano 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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Synthesis, Molecular Structure, Anticancer Activity, and QSAR Study of N-(aryl/heteroaryl)-4-(1H-pyrrol-1-yl)Benzenesulfonamide Derivatives
PublikacjaA series of N-(aryl/heteroaryl)-4-(1H-pyrrol-1-yl)benzenesulfonamides were synthesized from 4-amino-N-(aryl/heteroaryl)benzenesulfonamides and 2,5-dimethoxytetrahydrofuran. All the synthesized compounds were evaluated for their anticancer activity on HeLa, HCT-116, and MCF-7 human tumor cell lines. Compound 28, bearing 8-quinolinyl moiety, exhibited the most potent anticancer activity against the HCT-116, MCF-7, and HeLa cell lines,...
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The interactions of monomeric acridines and unsymmetrical bisacridines (UAs) with DNA duplexes: an insight provided by NMR and MD studies
PublikacjaMembers 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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15 N NMR and FTIR studies of 2,4-dinitroanilines and their salts
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NMR and MD Analysis of the Bonding Interaction of Vancomycin with Muramyl Pentapeptide
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Conformational studies of neurohypophyseal hormones analogues with glycoconjugates by NMR spectroscopy
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Hybridization-driven gap in U3Bi4Ni3: A 209Bi NMR/NQR study
PublikacjaZostały przeprowadzone badania jądrowego rezonansu magnetycznego (na jądrach 209Bi) na kryształach U3Bi4Ni3. U3Ni4Bi3 jest tzw. izolatorem typu Kondo.
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Synthesis and molecular structure of novel 2-(alkylthio)-4-chloro-N-(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-5-methylbenzenesulfonamideswith potential anticancer activity
PublikacjaOtrzymano 15 nowych związków: 2-(alkilotio)-4-chloro-N-(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-5-metylobenzenosulfonamidów, dla których opracowano nową metodę syntezy. Dla jednej pochodnej wyznaczono strukturę rentgenowską. Związek nr 36 wykazuje wysoką aktywność przeciwnowotworową w stosunku do 13 linii komórek nowotworowych o poziomie GI_50 w zakresie stężeń 1,9-3,0 μM.
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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
PublikacjaIn 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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Development of Sulfamoylated 4‑(1-Phenyl‑1H‑1,2,3-triazol-4-yl)phenol Derivatives as Potent Steroid Sulfatase Inhibitors for Efficient Treatment of Breast Cancer
PublikacjaWe present here the advances achieved in the development of new sulfamoylated 4-(1-phenyl-1H-1,2,3-triazol-4-yl)phenol derivatives as potent steroid sulfatase (STS) inhibitors for the treatment of breast cancer. Prompted by promising biological results and in silico analysis, the initial series of similar compounds were extended, appending a variety of m-substituents at the outer phenyl ring. The inhibition profiles of the newly...