Search
Search results for: BOND
-
NMR and MD Analysis of the Bonding Interaction of Vancomycin with Muramyl Pentapeptide
Publication -
Cross-Bonding of MV Cable Lines for Energy Losses Decrease
PublicationCurrently, almost all medium voltage cable lines (MV) operate with the return wires earthed at both ends of the cable. Such a way of operation causes that during normal states of operation as well as during disturbances, e.g. short-circuits, in the return wires induce currents whose values mainly depend on the currents flowing in the phase wires. These currents in normal operating states are a source of additional energy losses...
-
Effect of interlayer bonding quality of asphalt layers on pavement performance
PublicationThe quality of interlayer bonding at the interfaces between the asphalt layers in flexible pavements affects the overall pavement performance. Lack or partial lack of interlayer bonding between asphalt layers can cause pavement's premature failures such as rutting, slippage of the wearing course, cracking or simply a reduction in the calculated fatigue life of the pavement structure. This paper shows the case studies of investigation...
-
A new approach to cross-bonding in medium voltage cable lines
PublicationThe medium voltage underground cable sheaths are usually bonded and earthed in every substation on the cable route. This results in additional power losses in the sheaths. The paper presents an idea of reducing power losses caused by sheaths cross-bonding. The idea of sheaths cross-connecting only in selected MV/LV substations is given instead of a typical solution, where sheaths cross-bonding requires installing additional joints...
-
Fracture of aluminium joints bonded with epoxy adhesive reinforced by mmt nanoparticles
PublicationCrack propagation behavior was studied for aluminium/aluminum adhesive joints bonded with two epoxy adhesives: pure and reinforced with clay nanoparticles. The focus was also on the novel use of the constant displacement rate test to study adhesion/adhesives efficiency. The epoxy systems studied were: Epidian E6 produced from bisphenol A and epichlorohydrin, (''Organika -Sarzyna'' Poland); pure or strengthened with montmorillonit...
-
Nanotubular Titanium Oxide Layers for Enhancement of Bone-Implant Bonding and Bioactivity
PublicationThe present paper describes the techniques to improve the bioactivity of titanium and enhance the bone-implant bonding ability by the electrochemical anodization to fabricate titania nanotube arrays (TiO2).
-
Interplay of hydrogen bonding and aryl-perfluoroaryl interactions in construction of supramolecular aggregates
PublicationThe stacking between aryl and perfluoroaryl units is an important class of the aromatic – aromatic interactions that has attracted rapidly growing interest in recent years. Continuing interest of our group in this subject it had been prepared three new complexes of pentafluorobenzoic acid with benzyl alcohol, 4-methylbenzyl alcohol and 4-tert-butylbenzyl alcohol and in the next step investigated their self-assembly modes by...
-
Bonding interactions in oxydiacetate and thiodiacetate cobalt(II) and nickel(II) complexes
Publication -
Two tests for adhesive bonding long term characterization: principles and applications
PublicationThis article describes recent refinement of the traditional wedge test technique used to characterize durability of the adhesive joints. We propose two types of measuring protocols to monitor precisely and continuously the propagation of an "effective" crack during long term mode I fracture mechanic test. First method is directly derived from the traditional wedge test technique and consist in monitoring the surface strain of adherent...
-
Nanotubular Ti Oxide Layers for Enhancement of Bone-Implant Bonding and Bioactivity
PublicationAbstrakt artykułu pt. ''Nanotubular Ti Oxide Layers for Enhancement of Bone-Implant Bonding and Bioactivity''. The paper describes techniques to improve the bioactivity of titanium and ehnahnce the bone-implant bonding ability by the electrochemical anodization to fabricate titania nanotubular oxide layer.
-
Intermolecular Hydrogen Bonding Directed by Aryl–Perfluoroaryl π–π Stacking Interactions
PublicationThe crystal structures of five compounds capable of forming self-complementary hydrogen bonds but crystallizing as catemers or creating more complex crystal structures were compared with their complexes prepared by cocrystallization with perfluoroaryl compounds. The results of X-ray diffraction revealed that in all the cases the π–π stacking interactions caused reorganization of hydrogen bonds and induced creation of the expected...
-
Bartłomiej Bondarczuk
People -
Dynamic Formation and Breaking of Disulfide Bonds in Molecular Dynamics Simulations with the UNRES Force Field
Publication -
Investigation ofcis/trans ratios of peptide bonds in AVP analogues containingN-methylphenylalanine enantiomers
Publication -
Crystal structure, hydrogen bonds, and lattice dynamics in kanemite from first-principles calculations
Publication -
The Idea of Using Adhesive Bonds in Shaping of Cold-formed Thin-walled Beam-columns
PublicationThe chapter concerns the idea of using adhesive bonds in the shaping of cold-formed thin-walled beam-columns. The idea of adhesive-bonded connections is not new but is unlikely to have been used in the design and shaping of thin-walled beam-columns in civil engineering up to date. Metal bar structures, including (due to economic reasons) thin-walled structures, are the most common and effective means to build engineering superstructures/loadbearing...
-
The Impact of Long-Time Chemical Bonds in Mineral-Cement-Emulsion Mixtures on Stiffness Modulus
PublicationDeep cold in-place recycling is the most popular method of reuse of existing old and deteriorated asphalt layers of road pavements. In Poland, in most cases, the Mineral-Cement-Emulsion mixture technology is used, but there are also applications combining foamed bitumen and cement. Mineral-Cement-Emulsion mixtures contain two different binding agents – cement as well as asphalt from the asphalt emulsion. Asphalt creates asphalt...
-
A chemo-mechano-thermodynamical contact theory for adhesion, friction, and (de)bonding reactions
PublicationThis work presents a self-contained continuum formulation for coupled chemical, mechanical, and thermal contact interactions. The formulation is very general and, hence, admits arbitrary geometry, deformation, and material behavior. All model equations are derived rigorously from the balance laws of mass, momentum, energy, and entropy in the framework of irreversible thermodynamics, thus exposing all the coupling present in the...
-
Analysis of coupled coplanar waveguide with ideal bonding wires between ground conductors
PublicationPrzedstawiono zmodyfikowaną analizę sprzężonych linii koplanarnych prowadzącą do uproszczenia procesu modelowania struktur wieloprzewodowych zawierających poprzecznie ułożone względem kierunku propagacji fali mostki dla wyrównania potencjałów na odseparowanych przestrzennie przewodach. Wyniki analizy teoretycznej zweryfikowano doświadczalnie uzyskując potwierdzenie poprawności zastosowanego podejścia.
-
The Use of Direct Shear Test for Optimization of Interlayer Bonding Under a Poroelastic Layer
PublicationPoroelastic Road Surfaces (PERS) are characterised by porous structure with air void content of 20% or higher and stiffness almost 10 times lower than that of a standard asphalt course. Such properties enable noise reduction by up to 12 dB in comparison to SMA 11 mixture. However, the disadvantage of a poroelastic pavement is its low durability, which partially results from delamination from the lower layer. The paper aims to investigate...
-
Crystal structure, chemical bonding, and physical properties of layered AIrSn2 (A = Sr and Ba)
PublicationWe report the experimental and theoretical investigation of structure, chemical bonding interactions, and physical properties of new ternary stannides AIrSn2 (A = Sr and Ba). AIrSn2 (A = Sr and Ba) crystallizes in the orthorhombic Re3B-type structure with the space group Cmcm (No. 64). According to single-crystal X-ray diffraction results, the structure of AIrSn2 (A = Sr and Ba) can be considered as a Zintl-type compound with heterogeneous...
-
Induction of chirality in 4,4'-azopyridine by halogen-bonding interaction with optically active ditopic donors
PublicationOptically 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...
-
Polyfunctional chemically bonded stationary phase for reversed phase high-performance liquid chromatography
Publication -
Hydrogen Bonds in Blends of Poly(N-isopropylacrylamide), Poly(N-ethylacrylamide) Homopolymers, and Carboxymethyl Cellulose
PublicationRecently, it was reported that the physical crosslinking exhibited by some biopolymers could provide multiple benefits to biomedical applications. In particular, grafting thermoresponsive polymers onto biopolymers may enhance the degradability or offer other features, as thermothickening behavior. Thus, different interactions will affect the different hydrogen bonds and interactions from the physical crosslinking of carboxymethyl...
-
Prediction of the structures of proteins with the UNRES force field, including dynamic formation and breaking of disulfide bonds
Publication -
Possible mechanisms for protecting NCα bonds in helical peptides from electron-capture (or transfer) dissociation
Publication -
Charge-assisted N(+)–H···(−)S hydrogen bonds in the crystal structure of selected diammonium thiophenolates.
PublicationNew salts of thiophenol with three flexible aliphatic diamines H2N(CH2)nNH2 (n = 2, 4 and 6) have been synthesized and characterized by elemental analyses, IR spectroscopy and X-ray crystallography in order to analyze their supramolecular architecture. Structural analyses indicate that in the crystals, proton transfer has occurred, with the –SH group giving (+)N–H···S(−) hydrogen bonding interaction. The structure of compound 1...
-
Bonding in Phosphanylphosphinidene Complexes of Transition Metals and their Correlation with Structures, 31 P NMR Spectra, and Reactivities
PublicationTheoretical studies of the bonding interactions and most important properties are carried out for isolable phosphanylphosphinidene complexes of transition metals. Three main types of phosphanylphosphinidene complexes are distinguished, based on the way in which the phosphanylphosphinidene ligand bonds to the metal center: (i) side-on complexes of platinum, where the R2Pβ–Pα ligand mimics structural features of free singlet phosphanylphosphinidenes...
-
π-Indenyl substituted zirconium compounds containing terminal bondedphosphanylphosphido ligands [Ind2Zr(Cl){(Me3Si)P-PR2-jP1}]. Synthesis,X-ray analysis and NMR studies
PublicationPraca prezentuję reakcję kompleksów indenylowych cyrkonu z solami litowymi difosfanów o ogólnym wzorze R2P-P(SiMe3)Li, gdzie R = tBu, Et2N, iPr2N. W wyniku tych reakcji otrzymano 3 nowe kompleksy fosfanylofosfidowe.Otrzymane nowe kompleksy zbadano przy pomocy technik rentgenowskiej analizy strukturalnej i NMR.Dichloro-bis(indenyl)zirconium(IV) reacts with lithium derivatives of diphosphanes R2P-P(SiMe3)Li (R = tBu, Et2N, iPr2N)...
-
Topochemical, Single‐Crystal‐to‐Single‐Crystal [2+2] Photocycloadditions Driven by Chalcogen‐Bonding Interactions
PublicationThe face-to-face association of (E)-1,2-di(4-pyridyl)ethylene (bpen) molecules into rectangular motifs stabilized for the first time by chalcogen bonding (ChB) interactions is shown to provide photoreactive systems leading to cyclobutane formation through single-crystal-to-single-crystal [2+2] photodimerizations. The chelating chalcogen bond donors are based on original aromatic, ortho-substituted bis(selenocyanato)benzene derivatives...
-
A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic–inorganic salt
Publication -
Unwinding Au+···Au+ Bonded Filaments in Ligand-Supported Gold(I) Polymer under Pressure
Publication -
Supramolecular Assemblies of Hydrogen Bonded Carboxylic Acid Dimers Mediated by Phenyl-Pentafluorophenyl Stacking Interactions.
PublicationKwas pentafluorobenzoesowy tworzy heterodimery z kwasami benzoesowym i 2,4,6-trimetylobenzoesowym w wyniku oddziaływań typu pi-pi reszt fenylowych i pentafluorofenylowych. Otrzymane kokryształy wymienionych kwasów z 1,4-bisarylobutadiynami zawierały homodimery tworzone przez cząsteczki kwasów, pomiędzy którymi znajdowały się cząsteczki diarylodiacetylenów.
-
A random field-based simulational identification of possible levels of material imperfections of adhesive-bonded joints
PublicationRecently, structural adhesives have become significant in the shaping of structural elements, especially in thin-walled structures, where they replace or supplement traditional connection methods. However, adhesive-bonded joints are highly susceptible to internal structural imperfections due to their application technique and the nature of the adhesive. These material inconsistencies impact the strength parameters and the mechanical...
-
Stabilization of N-, N,N-, N,N'-Methylated and Unsubstituted Simple Amidine Salts by Multifurcated Hydrogen Bonds
PublicationIn the light of the usefulness of amidines in medicinal chem., this paper considers the effects on biol. properties and chem. reactivities of org. mols. affected by intramol. interactions. The study of chem. shifts has been an important source of information on the electronic structure of amidine salts and their ability to form non-covalent bonds with nucleic acids. The NMR and IR results demonstrate that hydrogen bonds are...
-
Interplay between Aryl···Perfluoroaryl and Hydrogen Bonding Interactions in Cocrystals of Pentafluorophenol with Molecules of Trigonal Symmetry
PublicationCocrystals of seven star-shaped triaryl compounds with pentafluorophenol (pfp) were prepared and structurally characterized by the single-crystal X-ray diffraction method. Cocrystallization of pfp with planar (or almost planar) compounds gave six 3:1 molecular complexes with well-defined layered structures. The layers are composed of alternating pfp3 trimers, linked by hydrogen bonding, and triaryl molecules held together in planes...
-
Peculiar hydrogen bonding behaviour of water molecules inside the aqueous nanochannels of lyotropic liquid crystals
Publication -
Role of nitrogen in evolution of sp2/sp3 bonding and optical band gap in hydrogenated carbon nitride
PublicationDrastic changes in the bonding are found in amorphous hydrogenated carbon nitride (a-CNx:H) film as a function of nitrogen concentration (or N/C ratio). The total C-sp3 fraction and hardness shows a sharp decrease (at N/C = 0.40) whereas optical band gap and resistivity shows a gradual increase as nitrogen concentration increases from 0.07 to 0.58. Raman spectrum of a-CNx:H film is fitted with both Gaussian (integrated intensity...
-
Incomplete Cross-Bonding in the MV Line. Experience from the Operation of MV Single Cable Lines
PublicationCable lines are one of the basic components of power systems. Medium and high voltage cables mainly comprise a metallic sheath, which is concentric to the main core conductor. There are several operating schemes of such cable lines, which differ in the place of earthing of sheaths and the possible use of the sheaths and/or conductors crossing. The sheaths cross-bonding is typically done in two places of one cable line section,...
-
Imidazolium silanethiolates relevant to the active site of cysteine proteases. A cooperative effect in a chain of NH+⋯S− hydrogen bonds
Publication -
Synthesis and biological evaluation of N-acylated tyramine sulfamates containing C-F bonds as steroid sulfatase inhibitors
PublicationSteroid sulfatase (STS) is responsible for the hydrolysis of biologically inactive sulfated steroids into their active un-sulfated forms and promotes the growth of various hormone-dependent cancers (e.g., breast cancer). Therefore, the STS enzyme is a promising therapeutic target for the treatment of steroid-sensitive cancers. Herein, we report the synthesis and biological evaluation of sulfamate analogs as potential STS inhibitors...
-
Discrete-Element bonded-particle Sea Ice model DESIgn, version 1.3a – model description and implementation
Publication -
Discrete-Element bonded particle Sea Ice model DESIgn, version 1.3 – model description and implementation
Publication -
Formation and Growth of the Crack in Bonded Joints Under Mode I Fracture: Substrate Deflection at Crack Vicinity
PublicationAdhesive bonding is now commonly used in aircraft, cars, boats, etc. In these applications, thin panels are often bonded. In such thin structures, heterogeneous mechanical loading along the bondline edge (or potential crack front), is likely to arise due to 3D structural effects. The crack front and its vicinity is a special region, in that it is where structural properties of the adherend material meet those of the adhesive (discontinuity)....
-
Analysis of coplanar-type printed lines including parasitic effects of bonding wires between ground conductors
PublicationW pracy przedstwiono wyniki analizy propagacji sygnałów prostokątnych w strukturach sprzężonych falowodów koplanarnych z uwzględnieniem nieidealności połączeń pomiędzy przewodnikami masy. Wyniki analiz numerycznych dla wybranych struktur linii sprzężonych zweryfikowano pozytywnie w oparciu o rezultaty badań eksperymentalnych prowadzonych technikami czasowymi (TDR/TDT).
-
Paternal Postpartum Bonding and Its Predictors in the Early Postpartum Period: Cross-Sectional Study in a Polish Cohort
Publication -
Green`s function methods for Mathematical modeling of unidirectional diffusion process in isothermal metals bonding process
PublicationPodano wykorzystanie funkcji Greena w rozwiązaniu matematycznego modelu dyfuzji jednowymiarowej podczas izotermicznego łączenia metali.
-
Mercury bonds with carbon (OC and EC) in small aerosols (PM1) in the urbanized coastal zone of the Gulf of Gdansk (southern Baltic)
Publication -
Experimental and quantum chemical evidences for C–H⋯N hydrogen bonds involving quaternary pyridinium salts and pyridinium ylides
Publication -
Variable-temperature X-ray diffraction study of structural parameters of NH---S hydrogen bonds in triethylammonium and pyridinium silanethiolates
PublicationHydrogen bonds in triethylammonium and pyridinium silanethiolate salts have been characterized by X-ray, FT–IR and NMR spectroscopies. DFT calculations reveal strongly asymmetric double-well minima at the potential energy curves of the studied compounds