Filtry
wszystkich: 2555
wybranych: 2013
-
Katalog
- Publikacje 2013 wyników po odfiltrowaniu
- Czasopisma 7 wyników po odfiltrowaniu
- Osoby 211 wyników po odfiltrowaniu
- Wynalazki 7 wyników po odfiltrowaniu
- Projekty 21 wyników po odfiltrowaniu
- Zespoły Badawcze 1 wyników po odfiltrowaniu
- Kursy Online 58 wyników po odfiltrowaniu
- Wydarzenia 10 wyników po odfiltrowaniu
- Dane Badawcze 227 wyników po odfiltrowaniu
Filtry wybranego katalogu
wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: ligandy n-donorowe mostkujace
-
A Novel Ru(II) Polypyridine Black Dye Investigated by Resonance Raman Spectroscopy and TDDFT Calculations
PublikacjaThe optical properties of a new(bipyridine)2Ru(4H-imidazole) complex presenting a remarkablebroad absorption in the visible range are investigated. Thestrong overlap of the absorption with the solar radiationspectrum renders the studied complex promising as a blackabsorber and hence as a starting structure for applications inthe field of dye-sensitized solar cells. The correlations betweenstructural and electronic features for...
-
C-1311 (Symadex), a potential anti-cancer drug, intercalates into DNA between A and G moieties. NMR-derived and MD-refined stereostructure of the d(GAGGCCTC) 2 :C-1311 complex
PublikacjaImidazoacridinone C-1311 (Symadex®) is an antitumor agent which has been recommended for Phase II clinical trials a few years ago. Previously, it was shown experimentally that during the initial stage of its action C-1311 forms stable intercalation complexes with DNA duplexes. Herein, a NMR-derived stereostructure of d(GAGGCCTC)2:C-1311 complex was reported. The ligand was found locating itself between A and G moieties, forming...
-
Synthetic, Structural, and Spectroscopic Characterization of a Novel Family of High-Spin Iron(II) [(β-Diketiminate)(phosphanylphosphido)] Complexes
PublikacjaThis work describes a series of iron(II) phosphanylphosphido complexes. These compounds were obtained by reacting lithiated diphosphanes R2PP(SiMe3)Li (R = t-Bu, i-Pr) with an iron(II) β-diketiminate complex, [LFe(μ2-Cl)2Li(DME)2] (1), where DME = 1,2-dimethoxyethane and L = Dippnacnac (β-diketiminate). While the reaction of 1 with t-Bu2PP(SiMe3)Li yields [LFe(η1-Me3SiPPt- Bu2)] (2), that of 1 with equimolar amounts of i-Pr2PP(SiMe3)Li,...
-
Razem i osobno
PublikacjaKatalog ilustrujący roczną działalność galerii BWA w Lublinie. Opisuje wystawy, które miały miejsce w galerii Labirynt w 2008 roku (m. in. wystawę "Razem i osobno" J. Buczkowskiego, K. Wróblewskiego i Z. Pidka).Katalog liczy 84 strony i zawiera teksty krytyczne w języku polskim i angielskim oraz 123 kolorowe reprodukcje prac artystów (prace autorów s. 59). Wydawcą katalogu jast Biuro Wystaw Artystycznych w Lublinie ISBN: 978-83-927473-4-5.
-
Structural properties of water: Comparison of the SPC, SPCE, TIP4P and TIP5P models of water
PublikacjaDla czterech najpopularniejszych modeli wody obliczono wartości entropii absolutnej ciekłej wody w temperaturze 298 K, średnią liczbę wiązań wodorowych tworzonych przez cząsteczkę wody, średni czas życia wiązania wodorowego, średni czas życia cząsteczki wody w stanie związanym (gdy tworzy ona co najmniej jedno wiązanie wodorowe) oraz średnią energię wiązania wodorowego. Otrzymane rezultaty porównano z eksperymentem. Uzyskane wyniki...
-
Magazynowanie energii elektrycznej i gospodarka wodorowa
PublikacjaW artykule dokonano przegl ą du aktualnych technologii magazynowania energii elektrycznej oraz zestawiono uzyskiwane parametry w aspekcie zastosowa ń w zasobnikach systemowych. Przedstawiono studium mo ż liwo ś ci magazynowania energii z odnawialnych ź róde ł energii (O Ź E) w zasobnikach akumulatorowych i elektrowniach szczytowo-pompowych w Polsce. Omówiono tak ż e mo ż liwo ś ci wykorzystania...
-
Definicje kognitywne osoby niepełnosprawnej intelektualnie – na wybranych przykładach
Publikacja -
New clicked full agonists of the estrogen receptor β
PublikacjaA click chemistry approach was used to synthesize a series of 1,4-diaryl-substituted 1,2,3-triazoles designed to behave as estrogen receptor (ER) ligands. We studied their affinities for both receptors α and β, their agonist activities in a cell-based luciferase reporter assay and their effect on the proliferation of the hormone-dependent MCF-7 cell line. We found two compounds (3a and 3c) that behave as selective full agonists...
-
Scheduling of unit-length jobs with cubic incompatibility graphs on three uniform machines
PublikacjaWe consider the problem of scheduling n identical jobs on 3 uniform machines with speeds s1, s2, and s3 to minimize the schedule length. We assume that jobs are subject to some kind of mutual exclusion constraints, modeled by a cubic incompatibility graph. We how that if the graph is 2-chromatic then the problem can be solved in O(n^2) time. If the graph is 3-chromatic, the problem becomes NP-hard even if s1>s2=s3.
-
Complex multiplier based on the polynomial residue number system
PublikacjaPrzedstawiono próbę zaprojektowania mnożnika zespolonego 4x4 opartego na algorytmie Skavantzosa i Stouraitisa. W algorytmie stosuje siękodowanie liczb n-bitowych jako wielomianów stopnia 7 w pierścieniu wielomianów modulo (x^8-1) z n/4-bitowymi współczynnikami. Mnożenie zespolone jest wykonywane jako 8-punktowy splot cykliczny. Podanoopóżnienie i złożoność sprzętową jak również porównanie ze standardowym.rozwiązaniem.
-
Almost homoclinic solutions for the second order Hamiltonian systems
PublikacjaW niniejszej pracy badam istnienie rozwiązań prawie homoklinicznych (almost homoclinic) dla układu Hamiltona rzędu drugiego (układu Newtona): ü(t) + V_{u}(t,u) = f(t), gdzie t є R, u є R^{n}, V(t,u) = -K(t,u) + W(t,u), K,W: R x R^{n} → R są klasy C^{1}, K spełnia warunek ''pinching'', W_{u}(t,u)=o(|u|), gdy |u| → 0 jednostajnie względem t, f: R → R^{n} jest funkcją ciągłą, niezerową i odpowiednio małą w L^{2}(R,R^{n}). Przy tych...
-
Impact of influent wastewater quality on nitrogen removal rates in multistage treatment wetlands
PublikacjaNitrogen removal in treatment wetlands is influenced by many factors, and the presence of electron donors (biodegradable organic matter) and electron acceptors (nitrate ions) is the main limiting one; for obtaining these conditions, multistage treatment wetlands (MTWs) are required, where an extensive nitrification can be obtained in the first stages under aerobic conditions leaving then to the following anoxic/anaerobic stages...
-
A Cu/Zn heterometallic complex with solvent-binding cavity, catalytic activity for the oxidation of 1-phenylethanol and unusual magnetic properties
PublikacjaMononuclear and polymeric complexes of zinc(II) and copper(II) have been synthesized using two isomers of the hemi-salen ligand with a different mutual orientation of donor atoms. The heterometallic Cu/Zn metallocycle features a catalytic niche filled with the molecule of water and molecules of methanol. This unusual compound exhibits both pronounced catalytic activity in the reaction of oxidation of a secondary alcohol to ketone...
-
Electron-scattering total cross sections for complex molecules: group additivity rule
PublikacjaZaprezentowano całkowite przekroje czynne na rozpraszanie elektronów na dwóch rodzinach drobin: pierwszej - zawierającej azot jako atom centralny [N(CH3)3, NH2CH3, NH3]oraz drugiej - rodzinę eterów cyklicznych [c-(CH2)nO, gdzie n=2-5]. Zostało pokazane, że TCS dla niektórych drobin wieloatomowych można wyznaczyć na podstawie wyników TCS dla drobin o prostszej budowie lub ich fragmentów.
-
Generating fractal tiles using Voronoi diagrams
PublikacjaPraca opisuje szczególną klasę podziałów powierzchni n-wymiarowego torusa na komórki o fraktalnym brzegu. Zbiór komórek przejawia nietypowe własności samopodobieństwa, może zostać użyty do wypełnienia przestrzeni R^n w sposób periodyczny lub aperiodyczny ze zmienną gęstością podziałów. Zaproponowany został algorytm do generowania takich podziałów używając diagramów Woronoja. Opisana metoda może mieć zastosowania w grafice komputerowej.
-
Podstawy określania współczynników równoważności obciążenia osi do projektowania nawierzchni drogowych
PublikacjaPraca przedstawia rys historyczny rozwoju charakterystyki obciążenia dróg przez ruch. Omówiono wpływ przyjęcia wielkości obciążenia standardowego osi równoważnej na wyniki analizy ruchu. Przedstawiono metodę doświadczalną AASHTO i współczynniki obliczone według tej metody w przypadku polskich warunków. Podano wzory do obliczeń współczynników dla osi podwójnych i potrójnych. Przedstawiono metodę francuską i jej porównanie z metodą...
-
On the Limiting Distribution of Lempel-Ziv’78 Redundancy for Memoryless Sources
PublikacjaWe study the Lempel-Ziv'78 algorithm and show that its (normalized) redundancy rate tends to a Gaussian distribution for memoryless sources. We accomplish it by extending findings from our 1995 paper, in particular, by presenting a new simplified proof of the central limit theorem (CLT) for the number of phrases in the LZ'78 algorithm. We first analyze the asymptotic behavior of the total path length in the associated digital search...
-
On-line Search in Two-Dimensional Environment
PublikacjaWe consider the following on-line pursuit-evasion problem. A team of mobile agents called searchers starts at an arbitrary node of an unknown network. Their goal is to execute a search strategy that guarantees capturing a fast and invisible intruder regardless of its movements using as few searchers as possible. As a way of modeling two-dimensional shapes, we restrict our attention to networks that are embedded into partial grids:...
-
Collision-free network exploration
PublikacjaMobile agents start at different nodes of an n-node network. The agents synchronously move along the network edges in a collision-free way, i.e., in no round two agents may occupy the same node. An agent has no knowledge of the number and initial positions of other agents. We are looking for the shortest time required to reach a configuration in which each agent has visited all nodes and returned to its starting location. In...
-
Reactivity of bulky aminophosphanes towards small molecules: Activation of dihydrogen and carbon dioxide by aminophosphane/borane frustrated Lewis pairs
PublikacjaA series of mono- and bisaminophosphanes with formulas R2NPR’R’’ and (R2N)2PR’ (R = iPr, Cy; R’ = Ph, Cy; R’’ = iPr) were characterized by X-ray analysis, NMR spectroscopy and computational methods. The common structural futures of these species are short and polarized PAN bonds, a pyramidal geometry at the P atom and an almost planar geometry at the N atoms. According to DFT calculations, these...
-
Evaluation of Immobilization of Selected Peat-Isolated Yeast Strains of the Species Candida albicans and Candida subhashii on the Surface of Artificial Support Materials Used for Biotrickling Filtration
PublikacjaThe paper describes the process of n-butanol abatement by unicellular fungi, able to deplete n-butanol content in gas, by using n-butanol as source of carbon. Isolated and identified fungi species Candida albicans and Candida subhashii were subjected to a viability process via assimilation of carbon from hydrophilic and hydrophobic compounds. The isolates, which exhibited the ability to assimilate carbon, were immobilized on four...
-
Extracting functional groups of ALLINI to design derivatives of FDA‐approved drugs: Inhibition of HIV‐1 integrase
PublikacjaHIV‐1 integrase (IN) is crucial for integration of viral DNA into the host genome and a promising target in development of antiretroviral inhibitors. In this work, six new compounds were designed by linking the structures of two different class of HIV‐1 IN inhibitors (active site binders and allosteric IN inhibitors (ALLINIs)). Among newly designed compounds, INRAT10b was found most potent HIV‐1 IN inhibitor considering different...
-
The selective salinity and hydrazine parameters for the start-up of non-anammox-specific biomass SBR
PublikacjaThe presence of ammonium (NH 4+ ) in wastewater above the permissible limits leads to undesirable ecological impact and public health concerns. In this study, the anaerobic ammonium oxidizing (anammox) bacteria-mediated nitrogen removal was investigated using a sequential batch reactor (SBR). Effects of different salinity levels were evaluated on the bacterial activity at: mild (below 0.2 g NaCl/L), elevated (18.2 g NaCl/L) and...
-
W-like bound entangled states and secure key distillation
PublikacjaWe construct multipartite entangled states with underlying W-type structuresatisfying positive partial transpose (PPT) condition under any (N −1)|1 partition. Then we showhow to distill a N-partite secure key from the states using two different methods: direct applicationof local filtering and novel random key distillation scheme in which we adopt the idea from recentresults on entanglement distillation. Open problems and possible...
-
Ex situ XANES, XPS and Raman studies of poly(3,4-ethylenedioxythiophene)modified by iron hexacyanoferrate
PublikacjaPraca dotyczy badań XANES, XPS i Ramana polimeru przewodzącego poli(3,4-etylenodioksytiofenu) modyfikowanego heksacyjanożelazianem żelaza. Badania XANES potwierdziły oktaedryczne otoczenie atomu żelaza, którego najbliższymi sąsiadami są atomy węgla oraz atomy azotu. Badania XPS wykazały istnienie wiązań Fe-C, Fe-N oraz chemicznego oddziaływania między atomem siarki polimeru a atomem żelaza błękitu pruskiego. Obecność oddziaływań...
-
Induction of chirality in 4,4'-azopyridine by halogen-bonding interaction with optically active ditopic donors
PublikacjaOptically active ditopic halogen bond donors bearing two 4-iodotetrafluorophenyl groups were obtained by reaction of chiral diols with iodopentafluorobenzene. Co-crystallization of these donors with anti-4,4′-azopyridine afforded binary complexes containing infinite chains of the alternating component molecules connected by halogen bonds. The solid state CD measurements confirmed that complexation induces optical activity of the...
-
Separation of Volatile Oxygen-containing Organic Compounds by Gas Chromatography - selectivity comparison of different polarity stationary phases
PublikacjaThis paper present a results of the separation of 36 reference compounds belonging to the group of Volatile Oxygen-Containing Organic Compounds (OVOCs) using capillary gas chromatography with flame ionization detector (GC-FID) and three stationary phases of different polarity. A selectivity has been studied regarding to OVOCs and n -alkanes. The most useful for the separation of the group OVOCs is a polar ionic liquid stationary...
-
On a Recurrence Arising in Graph Compression
PublikacjaIn a recently proposed graphical compression algorithm by Choi and Szpankowski (2012), the following tree arose in the course of the analysis. The root contains n balls that are consequently distributed between two subtrees according to a simple rule: In each step, all balls independently move down to the left subtree (say with probability p) or the right subtree (with probability 1p). A new node is created as long as...
-
The influence of chemical composition of amide block on the thermal properties and structure of terpoly(ester-b-ether-b-amide) elastomers
PublikacjaMultiblock terpolymers-(PBT-b-PTMO-b-PA12,10)(n)- constituting the polymer systems, in which one of the three blocks (PBT) does not dissolve in PA12,10 block (hard phase) and, depending on its molecular weight is slightly soluble in PTMO block (soft phase), have been obtained. The DSC method was applied to investigate the thermal properties of these polymers and it was found that PBT block acts as an element that produces stiffness...
-
3,3'-Dibenzoyl-1,1'-dibenzyl-1,1'-(ethane-1,2-diyl)dithiourea
PublikacjaIn the title compound, C32H30N4O2S2, the carbonyl and thiocarbonyl groups are found in a rare synclinal conformation, with an S-C···C-O pseudo-torsion angle of 62.6(2)°. The molecule has Ci = S2 point-group symmetry with a crystallographic center of inversion located in the middle of the ethylene bridge. One of the symmetry-independent phenyl...
-
Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety
PublikacjaFour sulfonamide derivatives with a methoxyphenyl moiety, namely N-{4-[(2-methoxyphenyl)sulfamoyl] phenyl}acetamide (1a), N-{4-[(3-methoxyphenyl)sulfamoyl]phenyl}acetamide (1b), 4-amino-N-(2- methoxyphenyl)benzenesulfonamide (2a) and 4-amino-N-(3-methoxyphenyl)benzenesulfonamide (2b), have been synthesized and characterized physiochemically by CHNS, MS, FT-IR, 1H NMR, 13C NMR, PXRD and TG methods. Crystal structures were determined...
-
Application of the Electronic Nose Technique to Differentiation between Model Mixtures with COPD Markers
PublikacjaABSTRACT The paper presents the potential of an electronic nose technique in the field of fast diagnostics of patients suspected of Chronic Obstructive Pulmonary Disease (COPD). The investigations were performed using a simple electronic nose prototype equipped with a set of six semiconductor sensors manufactured by FIGARO Co. They were aimed at verification of a possibility of differentiation between model reference mixtures with...
-
Interactions between polyphenolic antioxidants quercetin and naringenin dictate the distinctive redox-related chemical and biological behaviour of their mixtures
PublikacjaFood synergy concept is suggested to explain observations that isolated antioxidants are less bioactive than real foods containing them. However, mechanisms behind this discrepancy were hardly studied. Here, we demonstrate the profound impact of interactions between two common food flavonoids (individual: aglycones quercetin—Q and naringenin—N− or their glycosides rutin—R and naringin—N+ vs. mixed: QN− and RN+) on their electrochemical...
-
Pyrrole azocrown ethers. Synthesis, complexation, selective lead transport and ion-selective membrane electrode studies
PublikacjaOtrzymano nowe, 21-członowe, lipofilowe etery koronowe z jednostką pirolową i dwoma grupami azowymi jako składowymi makrocyklu. Właściwości kompleksujące tych nowych oraz dwóch wcześniej otrzymanych makrocykli zbadano w acetonitrylu. Ligandy te zostały użyte jako jonofory w badaniach konkurencyjnego transportu równomolowej mieszaniny jonów metali: Co2+, Ni2+, Cu2+, Zn2+, Cd2+, Ag2+, Pb2+ w układzie woda(pH 4.9)/chloroform/woda(pH...
-
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.
PublikacjaTetra 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...
-
A general theory for anisotropic Kirchhoff–Love shells with in-plane bending of embedded fibers
PublikacjaThis work presents a generalized Kirchhoff–Love shell theory that can explicitly capture fiber-induced anisotropy not only in stretching and out-of-plane bending, but also in in-plane bending. This setup is particularly suitable for heterogeneous and fibrous materials such as textiles, biomaterials, composites and pantographic structures. The presented theory is a direct extension of classical Kirchhoff–Love shell theory to incorporate...
-
A Novel Electrochemical Sensor Based on Graphene Oxide Nanosheets and Ionic Liquid Binder for Differential Pulse Voltammetric Determination of Droxidopa in Pharmaceutical and Urine Samples
Publikacja -
Coking Study in Anode Materials for SOFCs: Physicochemical Properties and Behavior of Mo-Containing Perovskites in CO and CH4 Fuels
Publikacja -
Dissociation and fragmentation of furan by electron impact
PublikacjaDissociation and fragmentation processes that produce electronically excited atomic and molecular fragments, following electron impact excitation, have been studied in furan. The optical excitation technique has been employed over the electron incident energy range 15-95 eV. Formation of excited hydrogen atoms H(n) in the n = 4-10 states has been detected by observation of the Balmer series. The diatomic CH fragments are formed...
-
Interactions in Ternary Aqueous Solutions of NMA and Osmolytes—PARAFAC Decomposition of FTIR Spectra Series
PublikacjaIntermolecular interactions in aqueous solutions are crucial for virtually all processes in living cells. ATR-FTIR spectroscopy is a technique that allows changes caused by many types of such interactions to be registered; however, binary solutions are sometimes difficult to solve in these terms, while ternary solutions are even more difficult. Here, we present a method of data pretreatment that facilitates the use of the Parallel...
-
Radzenie sobie ze stresem w warunkach różnego stopnia zagrożenia zdrowia.
PublikacjaCelem pracy była ocena zróżnicowania podejmowanych strategii zaradczych oraz siły poczucia koherencji u kobiet w różnym stanie zdrowia. W badaniu uczestniczyły kobiety zdrowe (n=79), zagrożone chorobą nowotworową (n=41) oraz chore na nowotwór narządów rodnych (n=118). Stwierdzono, że w stanach deficytu zdrowia preferowane są strategie emocjonalne, a w zdrowiu - instrumentalne. Dominującą strategią w radzeniu sobie z chorobą nowotworową...
-
Polyhedral Ramsey Numbers
PublikacjaGiven two polygons or polyhedrons P1 and P2, we can transform these figures to graphs G1 and G2, respectively. The polyhedral Ramsey number Rp(G1,G2) is the smallest integer n such that every graph, which represents polyhedron on n vertices either contains a copy of G1 or its complement contains a copy of G2. Using a computer search together with some theoretical results we have established some polyhedral Ramsey numbers, for example...
-
Electron impact fragmentation of pyrrole molecules studied by fluorescence emission spectroscopy
PublikacjaThe fluorescence emission spectroscopy using electron impact excitation technique was employed to study fragmentation processes of the gas phase pyrrole molecules. The following excited fragmentation species were observed by detection of their fluorescence decay: the atomic hydrogen H(n), n = 4-7 and the diatomic CH(A2Δ), CN(B2Σ+), NH(A3Π) and C2(d3Πg) fragments. These atomic and molecular products differ from those previously...
-
Fluctuation of nitrogen fraction during wastewater treatment in a multistage treatment wetland
PublikacjaFactors influencing COD and removal and transformation of N fractions have been investigatedin the conditions of horizontal (SSHF) and vertical (SSVF) flow reed beds. Multistage treatment wetlandin Wiklino ensured a stable and very effective removal of all the analysed pollutants. Based onthe resultsof investigation, it could be assumed that the working conditions of SSHF beds play an importantrole in the transformation of particulate...
-
Asynchronous time difference of arrival (ATDOA) method
PublikacjaA new method for a location service in the asynchronous wireless sensor networks is outlined. This method, which is called asynchronous time difference of arrival (ATDOA), enables calculation of the position of a mobile node without knowledge of relative time differences (RTDs) between measuring sensors. The ATDOA method is based on the measurement of time difference of arrival between the node and the same sensor at the discrete...
-
Cytotoxic and Antioxidant Activities of Benzohydroxamic Acid Analogues
Publikacja20 benzohydroxamic acid analogues were synthesized and evaluated for their in vitro cytotoxicities against mouse mammary tumor cells as well as antioxidant activities against DPPH radical and superoxide anion. It was found that benzothiohydroxamic acids exhibit greater cytotoxicities than benzohydroxamic acids and N-isopropyl derivatives are more active than N-methyl ones. On the other hand, benzothiohydroxamic acids show more...
-
Interactions of amphotericin B derivative of low toxicity with biological membrane components - the Langmuir monolayer approach
PublikacjaMetodą monowarstw Langmuira zbadano naturę oddziaływań nowej pochodnej antybiotyku przeciwgrzybowego amfoterycyny B o niskiej toksyczności, tj. estru metylowego N-metylo-N-D-fruktopiranozyloamfoterycyny B (MF-AME)z komponentami błon biologicznych: ergosterolem, występującym w komórkach grzybowych i cholesterolem występującym w komórkach zwierzęcych oraz z modelowym fosfolipidem DPPC i na tej podstawie stwierdzono, że zróżnicowanie...
-
Kidney function in the very elderly with hypertension: data from the hypertension in the very elderly (HYVET) trial
Publikacja -
Concentrations of alfa- and gamma- tocopherols in human breast milk during the first months of lactation and in infant formulas
PublikacjaThe aim of this study was to determine the concentrations of alpha- and gamma-tocopherols in human breast milk samples from different periods of lactation and to compare them with tocopherol content in commercially available formulas for infants at corresponding ages. The study included 93 breast milk samples obtained on the 2nd (colostrum, n=17), 14th (n=30), 30th (n=27) and 90th day of lactation (n=19), along with 90 samples...
-
Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublikacjaThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...