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Application of Micro-cloud point extraction for spectrophotometric determination of Malachite green, Crystal violet and Rhodamine B in aqueous samples
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Crystal Structure Prediction by Global Optimization as a Tool for Evaluating Potentials: Role of the Dipole Moment Correction Term in Successful Predictions
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Synthesis and reactivity of 2,2,4,4-Tetrakis(tri-tertbutoxysilane-thiolato)-1,3,2,4-dithiadistannetane - crystal and molecular structures of two polymorphic forms
PublicationTytułowy związek [Sn(μ-S){SSi(OtBu)3}2]2 (1), zawierający dwa, 4-koordynacyjne atomy cyny, krystalizuje w dwóch odmianach polimorficznych. Forma ortorombowa-1a, została otrzymana w reakcji (tBuO)3SiSH i Et3N z SnCl2, podczas gdy forma trójskośna-1b, w reakcji z SnCl4 jako substratem. Struktura krystaliczna i cząsteczkowa obydwu odmian polimorficznych została wyznaczona przez badania metodą Rentgenowskiej Analizy Strukturalnej,...
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The orientational order parameters of a dendritic liquid crystal organo-siloxane tetrapode oligomer, determined using polarized infrared spectroscopy
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Binuclear Co(II), Zn(II) and Cd(II) tri-tert-butoxysilanethiolates. Synthesis, crystal structure and spectroscopic studies.
PublicationA series of Co(II), Zn(II) and Cd(II) complexes have been synthesized in reaction of respective metal tri-tert-butoxysilanethiolates with pyrazine 1 and 2 and 1,2-bis(2-pyridyl)ethylene 3–5. All compounds have been characterized by single-crystal X-ray structure determination, elemental analysis, FT-IR and thermogravimetry. Obtained complexes are bimetallic with the formula of [M{SSi(OtBu)3}2(μ-L)]2 and metal ions bridged by N,N′-spacer....
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Development, characterization and evaluation of composite adsorbent for the adsorption of crystal violet from aqueous solution: Isotherm, kinetics, and thermodynamic studies
PublicationThe purpose of this work focuses on the production and investigations of a new composite material as alternative low-cost adsorbent for the removal of crystal violet (CV) dye from waste solution. The production method was performed by in-situ thermal activation technology via extrusion process of polymer wastes containing tire rubber (50 wt%) and polyurethane foam (50 wt%) using single-screw extruder under processing temperature...
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A prototype femtosecond laser system for MEMS fabrication
Publicationn this article, the concept of a prototype femtosecond laser micromachining system and a femtosecond solid-state Yb:KYW laser is presented. Ultrashort laser pulses have many advantages over the long pulses in laser micromachining, due to their unique ability to interact with different materials without transferring heat to them. This allows very precise and pure laser-processing, clean cuts and sharp edges. A femtosecond laser...
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Application of the LPE-Grown LuAG: Ce Film/YAG Crystal Composite Thermoluminescence Detector for Distinguishing the Components of the Mixed Radiation Field
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(Cyclopentadienyl){(N,N-dimethylaminoethyl)cyclopentadienyl} complexes of zirconium: Crystal structure of [(η5-C5H5)(η5-C5H4CH2CH2NHMe2)ZrCl2]2[ZrCl6]
Publication(C5H5)ZrCl3 reaguje z [C5H4-CH2CH2NMe2]Li dając polimer koordynacyjny {(C5H5)(C5H4-CH2CH2NMe2)ZrCl2}n, który z kolei w reakcji z HCl daje żółtozielone kryształy [(η5-C5H5)(η5-C5H4CH2CH2NHMe2)ZrCl2]2[ZrCl6]. Ten ostatni związek został scharakteryzowany za pomocą widm NMR oraz przy użyciu rentgenowskiej analizy strukturalnej. Utworzenie w/w związku wskazuje na oderwanie grup C5H5 oraz C5H4-CH2CH2NMe2 od centrum metalicznego Zr(IV).
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Novel 1,2,3-Triazole Derivatives as Mimics of Steroidal System—Synthesis, Crystal Structures Determination, Hirshfeld Surfaces Analysis and Molecular Docking
PublicationHerein, we present the synthesis and crystal structures determination of five 4-(1-phenyl-1H-1,2,3-triazol-4-yl)phenol derivatives containing halogen atoms, 6a–e, which may be used as an excellent mimic of steroids in the drug development process. Good quality crystals obtained for all of the synthesized compounds allowed the analysis of their molecular structures. Subsequently, the determined crystal structures were used to calculate...
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Effect of Aromatic System Expansion on Crystal Structures of 1,2,5-Thia- and 1,2,5-Selenadiazoles and Their Quaternary Salts: Synthesis, Structure, and Spectroscopic Properties
PublicationRational manipulation of secondary bonding interactions is a crucial factor in the construction of new chalcogenadiazole-based materials. This article reports detailed experimental studies on phenanthro[9,10-c][1,2,5]chalcogenadiazolium and 2,1,3-benzochalcogenadiazolium salts and their precursors. The compounds were synthesized, characterized employing NMR and UV-Vis spectroscopy. TD-DFT calculations were also performed. The influence...
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Copper and copper-manganese 1D coordination polymers: Synthesis optimization, crystal structure and preliminary studies as catalysts for Baylis–Hillman reactions
PublicationThis work reports the influence of experimental parameters (pH and counter-ion) in the synthesis of the 1D coordination polymer [Cu(IDA)(H2O)2]n (IDA = iminodiacetate), named here Cu-IDA. Copper-manganese bimetallic coordination polymers were also obtained by isomorphic replacement into Cu-IDA structure, with different molar ratio of Cu2+ and Mn2+ ions, denoted here as Cu/Mn-IDA (0.9/0.1; 0.7/0.3 and 0.5/0.5). New coordination...
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Copper(I) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence
PublicationReaction of copper(I) halides with chiral dithiodianthranilidesmdtaandbdtaafforded polymeric complexeswhere polynuclear CuX clusters were linked together by ditopic bridging ligands into 1D chains or 2D layerstructures. In the case of racemic ligands double stranded chain polymers were formed where the Cu4X4(X = I or Br) cores are connected by enantiomeric pairs of the ditopic ligands. In contrast, a homochiralmdtaligand created...
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The crystal structure of (1RS,4RS,5RS,6SR)-5-cyano-5-nitro-6-phenyl-bicyclo[2.2.1]hept-2-ene
PublicationStructure of nitronorbornene derivative C14H12N2O2 synthesized in the reaction of cyclopentadiene with E-2-phenyl-1-cyano-1-nitroethene was determined by single crystal X-ray diffraction analysis. It was found that in analyzed molecule the nitro group is in endo-position whereas phenyl group have exo-ori-entation.
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A New Phenylalanine Derivative Acts as an Antagonist at the AMPA Receptor GluA2 and Introduces Partial Domain Closure: Synthesis, Resolution, Pharmacology, and Crystal Structure
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Uniformity of Thermoluminescence and Optically Stimulated Luminescence Signals Over the Length of Doped LiMgPO4 Crystal Rods Grown by Micro-Pulling-Down Method
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5- epi -Incensole: synthesis, X-ray crystal structure and absolute configuration by means of ECD and VCD studies in solution and solid state
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Crystal structure and initial characterization of a novel archaeal-like Holliday junction-resolving enzyme from Thermus thermophilus phage Tth15-6
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Focused ion beam-based microfabrication of boron-doped diamond single-crystal tip cantilevers for electrical and mechanical scanning probe microscopy
PublicationIn this paper, the fabrication process and electromechanical properties of novel atomic force microscopy probes utilising single-crystal boron-doped diamond are presented. The developed probes integrate scanning tips made of chemical vapour deposition-grown, freestanding diamond foil. The fabrication procedure was performed using nanomanipulation techniques combined with scanning electron microscopy and focused ion beam technologies....
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Crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one
PublicationThe synthesis and crystal structures of (E)-3-(4-hydroxybenzylidene)chroman-4-one, C16H12O3,I, and (E)-3-(3-hydroxybenzylidene)-2-phenylchroman-4-one,C22H16O3,II, are reported. These compounds are of interest with respect to biological activity. Both structures display intermolecular C—H---O and O—H---O hydrogen bonding, forming layers in the crystal lattice. The crystal structure of compound I is consolidated...
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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
PublicationMonocrystals 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
PublicationMonocrystals 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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The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas
PublicationBy the reaction of benzoyl chloride, potassium isothiocyanate and the appropriate halogenoaniline, i.e. 2/3/4-(bromo/iodo)aniline, we have obtained five new 1-benzoyl-3-(halogenophenyl)thioureas, namely, 1-benzoyl-3-(2-bromophenyl)- thiourea and 1-benzoyl-3-(3-bromophenyl)thiourea, C14H11BrN2OS, and 1-benzoyl-3-(2-iodophenyl)thiourea, 1-benzoyl-3-(3-iodophenyl)thiourea and 1-benzoyl-3-(4-iodophenyl)thiourea, C14H11IN2OS. Structural...
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Adsorptive Removal of Aqueous Phase Crystal Violet Dye by Low-Cost Activated Carbon Obtained from Date Palm (L.) Dead Leaflets
PublicationUp to now, water pollution is still one of the important issues and challenges worldwide, due to its environmental, economic and human life impacts. It is also remains a challenge to environment scientists and technologists. Nowadays, the textile dyeing industry is considered one of the largest water consuming industries and produces large volumes of colored wastewater in its dyeing and finishing process. In this study, date palm...
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Improving flexibility and performance of PVM applications by distributed partial evaluation
PublicationA new framework for developing both flexible and efficient PVM applications is described. We propose Architecture Templates Interface (ATI) that allows to control application granularity and parallelism. To ensure high application efficiency we extend partial evaluation strategy into domain of distributed applications obtaining Distributed Partial Evaluation (DPE). Both ATI and DPE were implemented using a new distributed programming...
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Third-order nonlinear optical features of zirconia-added lead silicate glass ceramics embedded with Pb2Fe2O5 perovskite crystal phases and role of Fe ions
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Syntheses and crystal structures of lithium derivatives of diphosphanes R2P-P(SiMe3)Li·3L, R = Ph, iPr and iPr2N, L = THF or DME
PublicationW wyniku reakcji R2P-P(SiMe3)2 z BuLi w THF lub DME powstają pochodne litowe difosfanów R2P-P(SiMe3)Li·3L. Dla R = iPr oraz iPr2N powstają sole R2P-P(SiMe3)Li·3THF, w których atom litu jest czterokrotnie koordynowany a dla R = Ph powstaje sól [Li·3DME]+[Ph2P-PSiMe3]-, która posiada budowę jonową. W reakcji BuLi z Ph2P-P(SiMe3)2 powstają znaczne ilości produktów ubocznych: Ph2P-PPh2 i LiP(SiMe3)2.
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Coordination complexes of Mn(II), Co(II), Ni(II), Zn(II) and Cd(II) with histaminol – Crystal structures and formation constants in aqueous solution
PublicationStability constants were determined for a series of coordination complexes of Mn(II), Co(II), Ni(II), Zn(II) and Cd(II) with histaminol in aqueous solution. The tendency of histaminol to form chelate complexes has been confirmed by the isolation of several complex species in the monocrystalline form and determination of their molecular structures.
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Crystal structure, DFT-study and NLO properties of the novel copper(I) nitrate π,σ-coordination compound based on 1-allyl-3-norbornan-thiourea
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Highly Oriented Zirconium Nitride and Oxynitride Coatings Deposited via High‐Power Impulse Magnetron Sputtering: Crystal‐Facet‐Driven Corrosion Behavior in Domestic Wastewater
PublicationHerein, highly crystalline ZrxNy and ZrxNyOz coatings are achieved by the deposition via high‐power impulse magnetron sputtering. Various N2 and N2/O2 gas mixtures with argon are investigated. The chemical composition and, as a result, mechanical properties of the deposited layer can be tailored along with morphological and crystallographic structural changes. The corrosion resistance behavior is studied by potentiodynamic measurements...
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In Situ Random Microseeding and Streak Seeding Used for Growth of Crystals of Cold-Adapted beta-D-Galactosidases: Crystal Structure of betaDG from Arthrobacter sp. 32cB
PublicationThere is an increasing demand for cold-adapted enzymes in a wide range of industrial branches. Nevertheless, structural information about them is still scarce. The knowledge of crystal structures is important to understand their mode of action and to design genetically engineered enzymes with enhanced activity. The most difficult task and the limiting step in structural studies of cold-adapted enzymes is their crystallization,...
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Synthesis, the crystal structure, and high-resolution NMR spectroscopy of methyl 4-O-acetyl-3-azido-2,3,6-trideoxy-6-iodo-ŕ-D-arabino-hexopyranoside
PublicationW wyniku wieloetapowej syntezy otrzymano glikozyd metylowy 4-O-acetylo-3-azydo-2,3,6-trideoksy-6-jodo-ŕ-D-arabino-heksopyranozy. Związek wykazuje konformację 4C1, co wykazano na podstawie wysokorozdzielczej spektroskopii1H i 13C NMR oraz rentgenowskiej analizy strukturalnej monokryształu. W pracy scharakteryzowano również 7 nowych związków otrzymanych jako produkty pośrednie i uboczne.
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Synthesis, crystal structure, and high-resolution NMR spectroscopy of methyl 3-azido-2,3-dideoxy-4,6-di-O-p-tolylsulfonyl-α-D-xylo-hexopyranoside
PublicationOpisano syntezę 3-azydo-2,3-dideoksy-4,6-di-O-p-toluenosulfonylo- i 6-O-p-toluenosulfonylo-alfa-D-ksylo-heksopiranozydów. Dla obu związków i ich prekursorów wykonano wysokorozdzielczą spektroskopię 1H i 13C NMR. Strukturę tytułowego związku określono metodą rentgenowskiej analizy strukturalnej. W pracy dyskutuje się wpływ grup ochronnych przy atomach tlenu na przesunięcia chemiczne sąsiadujących atomów w węglowej i protonowej spektroskopii...
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Modification of Ruddlesden-Popper-type Nd2-xNi0.75Cu0.2M0.05O4±δ by the Nd-site cationic deficiency and doping with Sc, Ga or In: Crystal structure, oxygen content, transport properties and oxygen permeability
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Reply to “Comment on ‘Crystal Structure Prediction by Global Optimization as a Tool for Evaluating Potentials: Role of the Dipole Moment Correction Term in Successful Predictions'” by B. P. van Eijck and J. Kroon
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Wzrost kryształów
e-Learning CoursesInżynieria Materiałowa II st.
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Wzrost kryształów
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Wzrost kryształów
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Laser stimulated third harmonic generation studies in ZnO–Ta 2 O 5 –B 2 O 3 glass ceramics entrenched with Zn 3 Ta 2 O 8 crystal phases
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The new type of [Zr6(μ3-O)4 (μ3-OH)4] cluster core: Crystal structure and spectral characterization of [Zr6O4(OH)4(OOCR)12] (R = Bu^t^,C(CH3)2Et)
PublicationSześciojądrowe oxo karboksylowe kompleksy cyrkonu(IV) zostały otrzymane z Zr(OR')4 i odpowiednich kwasów organicznych HOOCR (R=t-Bu, CMe2Et) w stosunku molowym 1:2. Struktury krystaliczne dwóch związków o wzorze [Zr6O4(OH)4(OOCR)12] (1 dla R=t-Bu i 2 dla R=-CMe2Et) zostały rozwiązane w grupie przestrzennej R-3. Substancje zostały przebadane termograwimetrycznie (TGA/DTA) oraz przy użyciu spektroskopii w podczerwieni ze zmienną...
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Wzrost kryształów 2023
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Katarzyna Merkel dr hab.
PeopleOver the past 15 years, my work has mainly been related to the study of liquid crystal compounds with a diverse structure (discotic, dendrimeric, banana, bimedogenic, uniaxial and biaxial nematics and smectics) as well as polymeric materials (biopolymers, nano-composites) and biological materials. My work concerned mainly the issues of organization, observation of orientation effects, studying the dynamics of molecular processes...
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Cobalt(II) tri-tert-butoxysialanethiolates.Synthesis, properties, crystal and molecular structures of [Co{SSi(OtBu)3}2(L)] and[Co{SSi(OtBu)3}2(L)2] type complexes with monodentate nitrogen ligands.
PublicationThe title heteroleptic neutral cobalt(II) tri-tert-butoxysilanethiolate complexes with monodentate nitrogen bases (L) as additional ligands have been prepared by the reactions of [Co{μ-SSi(OtBu)3}{SSi(OtBu)3}(NH3)]2 (1) with respective bases. For pyridine both types have been prepared...
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Etazene (N,N-diethyl-2-{[(4-ethoxyphenyl)methyl]-1H-benzimidazol-1-yl}-ethan-1-amine (dihydrochloride)): a novel benzimidazole opioid NPS identified in seized material: crystal structure and spectroscopic characterization
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Potassium Tri-tert-butoxysilanethiolates: Synthesis, Properties, and Crystal and Molecular Structures of [(tBuO)3SiSK]6[THF]2·2THF, {[(tBuO)3SiS]2K2}n, and [(tBuO)3SiSK]4[H2O]4·C6H6
PublicationW reakcji tri-tert-butoksysilanotiolu z potasem otrzymano trzy nowe związki:[(tBuO)3SiSK]6[THF]2·2THF, {[(tBuO)3SiS]2K2}n, i[(tBuO)3SiSK]4[H2O]4·C6H6. Stanowią one dogodne substraty w syntezach kompleksów silanotiolanowych metali przejściowych. Charakteryzują się one również różnorodnością tworzonych układów. Rentgenowska analiza strukturalna wykazała, iż tworzą one trzy typy makrocząsteczkowych układów, w których...
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(S)-trans-cyclohexane-1,2-dicarboximide. Acta Cryst. Sect.C Crystal Struct.Commun.**2002 vol. 58 s. 0661-0662, 2 rys. 2 tab. bibliogr. 12 poz. Imid kwasu (S)-trans-cykloheksanodikarboksylowego.
PublicationAnaliza rentgenograficzna monokryształów imidu kwasu (S)-trans-cykloheksano-dikarboksylowego wykazała, że imidowy chromofor jest znacznie odkształconyod planarności. Fragment pięcioczłonowego pierścienia zawierający funkcjęimidową jest silnie pofałdowany i przyjmuje konformację typu półkrzesła.Pierścień sześcioczłonowy występuje w nieznacznie zniekształconej konforma-cji typu krzesło. W sieci krystalicznej cząsteczki...
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Lower rim substituted tert-butylcalix[4]arenes (II). Complexing ability of5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis-O-(piperidinylcarbonyl)me- thylenecalix[4]arene. The crystal structures of the ligand and its sodium complex
PublicationSyntezowano kompleksy wymienionego w tytule liganda z chlorkiem sodu i azotanami itru(III), lantanu(III), samaru(III) i gadolinu(III) w reakcji liganda i odpowiedniej soli, które charakteryzowano za pomocą widm IR, UV-vis,1H NMR, FAB-MS, a także za pomocą analizy elementarnej. W reakcji wymiany z kompleksu z sodem otrzymywano kompleksy z lantanowcami. Określono strukturę krystaliczną wolnego liganda i jego kompleksu z sodem za...
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Drgania materiałów elektrostrykcyjnych a możliwość odzyskiwania energii elektrycznej
PublicationPraca zawiera opis wstępnych badań dotyczących możliwości określenia poziomu energii, jaką można uzyskać z drgań płytki kompozytowej z przymocowanymi elementami aktywnymi z materiałów piezoelektrycznych. Jednym z materiałów był kryształ PMN-PT, drugim klasyczny kryształ PZT.
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X-ray diffraction (XRD) of bulk boron and borophene flakes after the ball-milling process at different operating parameters
Open Research DataThese data include X-ray diffraction patterns of bulk boron and borophene obtained during ball milling at different rotation speeds, time and mass loadings. The data were collected to investigate the crystal structure of the studied materials.
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Influence of Gd deposition on the oxidation behavior and electrical properties of a layered system consisting of Crofer 22 APU and MnCo2O4 spinel
PublicationIn the study, the surface of the Crofer 22APU ferritic steel was modified with gadolinium oxide nanoparticles and a protective-conducting layer consisting of the MnCo2O4 spinel. This system was studied in the context of application in IT-SOFC interconnects. Four types of samples were studied: unmodified steel, steel coated with a manganese-cobalt spinel layer, steel modified with gadolinium oxide nanoparticles, and a system consisting...