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Wyniki wyszukiwania dla: BOND
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Recent developments in disulfide bond formation
PublikacjaThis review summarizes the recent developments of disulfide bond formation with variety of reagents. The scope and limitation of the presented methods is discussed. The syntheses of unsymmetrical disulfides are highlighted in order to present the most versatile achievements.
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The cement-bone bond is weaker than cement-cement bond in cement-in-cement revision arthroplasty. A comparative biomechanical study
PublikacjaThis study compares the strength of the native bone-cement bond and the old-new cement bond under cyclic loading, using third generation cementing technique, rasping and contamination of the surface of the old cement with biological tissue. The possible advantages of additional drilling of the cement surface is also taken into account. Femoral heads from 21 patients who underwent a total hip arthroplasty performed for hip arthritis...
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Activation of the C=P bond in phosphanylphosphaalkenes C=P–P bond system) in the reaction with nucleophilic reagents: MeLi, nBuLi and tBuLi
PublikacjaThree reactions of phosphanylphosphaalkene (1) with nucleophiles were performed to activate the diphosphorus monomer. We observed similar results in the reactions with MeLi and nBuLi, in which the P–P bond is cleavaged and triphosphorus systems [P(Me)2–CH(biph)–CH(biph)–P–(PtBu 2)]- (1a'') and [P(nBu)2–CH(biph)–CH(biph)–P–(PtBu 2)]- (1b''), respectively, are formed depending on the nucleophilic reagent (biph ¼ biphenyl). In the...
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A review of amide bond formation in microwave organic synthesis
PublikacjaMicrowave-Assisted Organic Synthesis (MAOS) is one of the most current trends in organic chemistry. Herein, both the most popular and new approaches in microwave-syntheses of very important linkage in Nature - amide bond - are overviewed and compared with conventional synthetic routes.
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Wave propagation in a sensor/actuator diffusion bond model
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Functionalization of cysteine derivatives by unsymmetrical disulfide bond formation
PublikacjaOpracowano metodę funkcjonalizacji pochodnych cysteiny przy pomocy tworzenia niesymetrycznego wiązania disulfidowego. Opracowana metoda okazała się bardzo łagodna, wydajna, i niewrażliwa na obecność dodatkowych grup funkcyjnych.
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Modelling and analysis of beam/bar structure by application of bond graphs
PublikacjaThe paper presents an uniform, port-based approach to modelling of beam/bar systems (trusses). Port-based model of such distributed parameter system has been defined by application of the bond graph methodology and the distributed transfer function method (DTFM). The proposed method of modelling enables to formulate input data for computer analysis by application of the DTFM. The constructed computational package enables the frequency...
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Optimisation and field assessment of poroelastic wearing course bond quality
PublikacjaCompared to typical asphalt mixtures, poroelastic mixtures are characterised by high porosity and high flexibility, which are desirable for traffic noise reduction. However, the same properties increase the risk of debonding from the lower layer, which is a significant source of premature damage. The study investigates which of the factors – tack coat agent, type and texture of the lower layer – have the greatest impact on interlayer...
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Phosphinoborinium cation: a synthon for cationic B-P bond systems
PublikacjaHerein, we report access to phosphinoborinium cations via heterolytic cleavage of the boron-bromide bond in bromophosphinoborane. The product of the reaction was isolated as a dimeric dication possessing a planar P2B2 core. Activation of C-H and C-P bonds in the dication led to formation of the borinium-phosphaborene adduct. Reactivity studies revealed that title cation exhibits ambiphilic properties and intramolecular frustrated...
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A highly-efficient technique for evaluating bond-orientational order parameters
PublikacjaWe propose a novel, highly-efficient approach for the evaluation of bond-orientational order parameters (BOPs). Our approach exploits the properties of spherical harmonics and Wigner 3jj-symbols to reduce the number of terms in the expressions for BOPs, and employs simultaneous interpolation of normalised associated Legendre polynomials and trigonometric functions to dramatically reduce the total number of arithmetic operations....
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Modelling of energy flow in electrical machines. A bond graph approach
PublikacjaPrzedstawiono w ujęcia grafów wiązań model przepływu energii/mocy w maszynach elektrycznych pracujących w hybrydowych systemach przetwarzania energii. Jako przykład do rozważań przyjęto system napędu trakcyjnego pojazdów hybrydowych.
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Modelling of energy flow in mechatronic systems. A bond graph approach
PublikacjaW referacie przedstawiono w sposób jednoliy modelowanie systemów mechatroniki metodą grafów wiązań (GW) w aspekcie symulacji przepływu energii. Omówiono ogólne założenia modelowania w ujęciu GW. Modelowanie przepływu energii rozważano na przykładzie napędu pojazdu hybrydowego PH-MAK.
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The Reactivity of the Imine Bond within Polynuclear Nickel(II) Complexes
PublikacjaThree novel Ni complexes with the Schiff base ligand 2-methoxy-6-(E-2-pyridyliminomethyl)-phenol (L1) are described. In comparison with the similar 2-(pyridine-2-ylimino-methyl)phenol (pymp), the mode of coordination of L1 is altered due to the presence of methoxy substituent introducing the sterical hindrance. During the synthesis of the complexes, partial hydrolysis of the ligand was observed. Since such immediate hydrolysis...
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Estimation of the Ultimate Strength of FRP Strips-to-Masonry Substrates Bond
PublikacjaFiber-Reinforced Polymers (FRP) were developed as a new method over the past decades due to their many beneficial mechanical properties, and they are commonly applied to strengthen masonry structures. In this paper, the Artificial Neural Network (ANN), K-fold Cross-Validation (KFCV) technique, Multivariate Adaptive Regression Spline (MARS) method, and M5 Model Tree (M5MT) method were utilized to predict the ultimate strength of...
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Bulletin van de Koninklijke Nederlandse oudheidkundige bond
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Modelling electrical machines using bond graphs for mechatronics system applications.
PublikacjaW artykule przedstawiono modelowanie maszyn elektrycznych metodą grafów wiązań dla potrzeb mechatroniki. Omówiono ogólne założenia modelowania maszyn elektrycznych w ujęciu grafów wiązań, bazującego na modelach wzorcowego sprzężenia transformatorowego i elektromechanicznego. Wykorzystując modele tych sprzężeń przedstawiono w ujęciu grafów wiązań model maszyny indukcyjnej w układzie współrzędnych naturalnych stojana. Model opracowano...
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Modelling of distributed-lumped parameter systems by application of modal bond graphs.
PublikacjaZastosowano metodę transmitancji układów o parametrach rozłożonych oraz dekompozycję modalną do modelowania wybranych układów dynamicznych. Zaproponowane podejście pozwala otrzymać dokładne modele niskiego rzędu w postaci grafów wiązań.
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Experimental-Numerical Analysis of the Effect of Bar Diameter on Bond in Pull-Out Test
PublikacjaBar diameter is one of the basic factors affecting bond behavior, which is still of interest due to opposing opinions regarding its effect on bond behavior in the pull-out test. This paper presents an experimental and numerical bond analysis of ribbed reinforcing bar in concrete. The aim was to experimentally evaluate the effect of bar diameter on the bond behavior in the pull-out test and to perform numerical simulations of the...
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Experiments and calibration of a bond-slip relation and efficiency factors for textile reinforcement in concrete
PublikacjaTextile reinforcement yarns consist of many filaments, which can slip relative each other. At modelling of the global structural behaviour, interfilament slip in the yarns, and slip between the yarns and the concrete can be considered by efficiency factors for the stiffness and strength of the yarns, and by applying a bond-slip relation between yarns and concrete. In this work, an effective and robust method for calibration of...
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Conformers and hydrogen bond transformations in N-methylpiperidine betaine 2,4-dinitrophenolate crystals
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Tests of bond between concrete and steel bars – literature background and program of own research
PublikacjaThis article deals with the issue of the bond between concrete and reinforcement. The bond is crucial for reinforced concrete elements because it is possible to transfer forces (stresses) from concrete to the reinforcement. Basic information related to the cooperation of concrete and rebars was recalled in the article. Selected issues concerning theoretical and numerical analysis as well as experiments of the bond phenomenon were...
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Enhancing the Effectiveness of the Diamond Metal Bond Instrument when Grinding High-Strength Materials
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Bond-graphs based modelling of hybrid energy systems with permanent magnet brushless machines
PublikacjaW referacie przedstawiono metodę grafów wiązań (GW) w zastosowaniu do modelowania hybrydowych systemów energetycznych z bezszczotkowymi maszynami elektrycznymi o magnesach trwałych. W części pierwszej referatu omówiono ogólne formalizm GW. Następnie przedstawiono kolejno: ogólną strukturę modelu hybrydowego systemu energetycznego w ujęciu GW; założenia modelowania maszyn elektrycznych w ujęciu GW, model silnika bezszczotkowego...
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Bond-graphs based modelling of hybrid energy systems with permanent magnet brushless machines
PublikacjaW referacie przedstawiono metodę grafów wiązań (GW) w zastosowaniu do modelowania hybrydowych systemów energetycznych z bezszczotkowymi maszynami elektrycznymi o magnesach trwałych. W części pierwszej referatu omówiono ogólne formalizm GW. Następnie przedstawiono kolejno: ogólną strukturę modelu hybrydowego systemu energetycznego w ujęciu GW; założenia modelowania maszyn elektrycznych w ujęciu GW, model silnika bezszczotkowego...
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Bond-graphs based modelling of hybrid energy systems with permanent magnet brushless machines
PublikacjaW referacie przedstawiono metodę grafów wiązań (GW) w zastosowaniu do modelowania hybrydowych systemów energetycznych z bezszczotkowymi maszynami o magnesach trwałych (BMMT). W części pierwszej referatu omówiono ogólne formalizm GW. Następnie przedstawiono kolejno: ogólną strukturę modelu hybrydowego systemu energetycznego w ujęciu GW; założenia modelowania maszyn elektrycznych w ujęciu GW, model SBMT w ujęciu GW dla potrzeb modelowania...
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Role of the disulfide bond in stabilizing and folding of the fimbrial protein DraE from uropathogenic Escherichia coli
PublikacjaDr fimbriae are homopolymeric adhesive organelles of uropathogenic Escherichia coli composed of DraE subunits, responsible for the attachment to host cells. These structures are characterized by enormously high stability resulting from the structural properties of an Ig-like fold of DraE. One feature of DraE and other fimbrial subunits that makes them peculiar among Ig-like domain-containing proteins is a conserved disulfide bond...
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A Model of Thermal Energy Storage According to the Convention of Bond Graphs (BG) and State Equations (SE)
PublikacjaThe main advantage of the use of the Bond Graphs method and State Equations for modeling energy systems with a complex structure (marine power plants, hybrid vehicles, etc.) is the ability to model the system components of different physical nature using identical theoretical basis. The paper presents a method of modeling thermal energy storage, which is in line with basic BG theory. Critical comments have been put forward concerning...
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Low-Barrier Hydrogen Bond Determines Target-Binding Affinity and Specificity of the Antitubercular Drug Bedaquiline
PublikacjaThe role of short strong hydrogen bonds (SSHB) in ligand-target binding remains largely unexplored, thereby hin- dering a potentially important avenue in the rational drug de- sign. Here, we investigate the interaction between bedaquiline (Bq), a potent anti-tuberculosis drug, and the mycobacterial ATP synthase, to unravel the role of a specific hydrogen bond to a conserved acidic residue in the target affinity and specificity....
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CAUSALITY IN MODELS OF THERMAL PROCESSES IN SHIP ENGINE ROOMS WITH THE USE OF BOND GRAPH (BG) METHOD
PublikacjaWith a single approach to modeling elements of different physical nature, the method of Bond Graph (BG) is particularly well suited for modeling energy systems consisting of mechanical, thermal, electrical and hydraulic elements that operate in the power system engine room. The paper refers to the earlier presented new concept of thermal process modeling using the BG method. The authors own suggestions for determining causality...
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Modelling of ic engine coolant system with permanent magnet brushless motor - bond graphs approach
PublikacjaW pierwszej części referatu przedstawiono strukturę i podstawy modelowania w ujęciu grafów wiązań nowoczesnego (nowej generacji) systemu chłodzenia silnika spalinowego. Istotną cechą rozważnego systemu chłodzenia jest zastosowanie zintegrowanego układu: pompa cieczy chłodzącej-bezszczotkowy silniki prądu stałego (BSPS, ang. BDCM). W kolejnych częściach referatu przedstawiono: podstawy modelowania całego systemu chłodzenia, model...
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The organophosphorus sulfenyl bromides as versatile reagents for cysteine derivatives functionalization by unsymmetrical disulfide bond formation
PublikacjaWe have developed a convenient method for the synthesis of L-cysteine unsymmetrical disulfides under mild conditions with good to excellent yields. Described method is based on the straightforward preparation of the organophosphorus sulfenyl bromide readily available from bis-(5,5-dimethyl-2-thiono-1,3,2-dioxaphosphorinanyl) disulfide. The unsymmetrical disulfides can be obtained for L-cysteine derivatives and thiols bearing neutral...
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Hidden Structural Evolution and Bond Valence Control in Near-Infrared Phosphors for Light-Emitting Diodes
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Preparation of Pseudopeptides Building Blocks with Retro-Thioamide Bond Mediated via Thiocarbamoyl Meldrum's Acid
PublikacjaAn easy and efficient synthesis of pseudo tripeptide containing a thiomalonamide moiety was developed. Isothiocyanate derivatives of amino acids react smoothly with 2,2-dimethyl-1,3-dioxane-4,6-dione yielding new thiocarbamoyl Meldrum's acids. Thermal decomposition of this new Meldrum's acid derivatives generate thiocarbamoyl ketenes, which acylate amino acid esters to give pseudo tripeptides.
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Dissociative Low-Energy Electron Attachment to the C–S Bond of H3CSCH3 Influenced by Coulomb Stabilization
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The noncanonical disulfide bond as the important stabilizing element of the immunoglobulin fold of the Dr fimbrial DraE subunit
PublikacjaAdhezyny fimbrialne bakterii patogennych stanowią liniowe asocjaty białkowe odpowiedzialne za wiązanie do specyficznych receptorów na powierzchni komórek gospodarza. Biogeneza tych struktur odbywa się przez system sekrecji typu chaperone/usher zakonserwowany pośród bakterii Gram-ujemnych. Powyższe struktury adhezyjne charakteryzują się wysoką odpornością na denaturację i deasocjację, powodowane przez temperaturę lub chemiczne czynniki...
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Cubane Like Structure of a Silanethiol Primary Amine Assembly a Novel, Unusual Hydrogen Bond Pattern.
PublikacjaMetodą rentgenowskiej analizy strukturalnej wyznaczono struktury krystaliczne i cząsteczkowe trzech soli amoniowych: (t-BuO)3SiS(-)H3N(+)Bu-t, (i-PrO)3SiS(-)H3N(+)Bu-t i (t-BuO)3SiS(-)H3N(+)(CH2)2CH(CH3)2. Wszystkie trzy związki w ciele stałym tworzą tetramery w których atomy S i N wyznaczają w przybliżeniu naroża sześcianu. Trwałość tych agregatów, oprócz sił elektrostatycznego przyciągania, zapewnia sieć wiązań wodorowych N-H
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Overview of the Synthesis and Catalytic Reactivity of Transition Metal Complexes Based on C═P Bond Systems
PublikacjaThis report provides an overview of the use of phosphaalkenes (C=P) in syntheses of various complexes. Going through successive complexes containing the d-block metals, we sought how this area of chemistry was formed over the years. Additionally, this work contains information on the possible coordination types and means of constructing the complexes. In addition, this review reveals the reactivities of phosphaalkene complexes...
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Low-energy (0.1 eV) electron attachment S?S bond cleavage assisted by Coulomb stabilization
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Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
PublikacjaAbstract A series of diaminium thiosulfates, derivatives of diamines: NH2CH2CH(CH3)NH2 (1) and NH2(CH2)nNH2, n = 3-6 (2-5 respectively)and thiosulfuric acid were prepared and their structures determined by crystal X-ray diffraction analysis. Compounds 1, 2 and 4 turned out to be hydrates. The crystal structure of 1,2-proylenediaminium thiosulfate is chiral and exhibits spontaneous resolution. Crystals for both enantiomers...
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Understanding the interactions between protein stabilizers and the peptide bond through the analysis of the volumetric and compressibility properties for the model systems
PublikacjaThis work confirms our earlier supposition, that volumetric and acoustic parameters for simple model proposed by us are directly related to stabilizing/destabilizing effect of osmolytes on proteins structure. The apparent molar volumes, V and the apparent molar isentropic compressions, KS,, of glycine and N,N,N –trimethylglycine (betaine) were determined from densities and speed of sound measurements in aqueous solution of N-methylacetamide...
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Reactive imines: Addition of 2-aminopyrimidine to the imine bond and isolation of the aminal from the equilibrium mixture aminal/imine
PublikacjaThe reaction between o-vanillin and 2-aminopyrimidine leads to the formation of a single crystalline product: aminal, 1, which results from the reaction of the initially formed imine with 2-aminopyrimidine. The reaction was followed by the NMR spectroscopy. VT NMR studies prove that in solution two major species are observed: aminal and imine and their ratio depends on the time or/and temperature with the imine content increasing...
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Perceived neighborhood disorder and quality of life: The role of the human-place bond, social interactions, and out-group blaming.
PublikacjaFour studies were carried out to examine how neighborhood disorder, human-place bonds, relationships among neighbors, and urban quality of life are related and what role blaming nonresidents plays in these relationships. In the first study, local identity was a significant mediator of the relationship between neighborhood disorder and quality of life. In the second study, we found that participants exposed to vignettes describing...
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Cis/trans conformational equilibrium across the N-methylphenylalanine2- N-methylphenylalanine3 peptide bond of arginine vasopressin analogs
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Anab initiostudy of (H3B←NH3)−—a dipole-bound anion supported by the dative charge-transfer bond in the neutral host
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Synthesis of compounds with C-P-P and C=P-P bond systems based on the phospha-Wittig reaction
PublikacjaA reactivity study of a β-diketiminate titanium(III) phosphanylphosphido complex [MeNacNacTi(Cl){η2-P(SiMe3)-PtBu2}] (1) towards ketones such as benzophenone, 9-fluorenone, acetophenone, cyclopentanone, cyclohexanone and cycloheptanone is reported. The reactions of 1 with aromatic ketones (without α-protons) directly lead to the Ti(III) complex [MeNacNacTi(μ2-Cl)(OSiMe3)] (5) as well as Ti(IV) complexes with the pinacol condensation...
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Peptide bond modification. I. Simple and efficient method of Boc-Gly[CH(OH)CH2]Gly-OH synthesis.
PublikacjaZaprezentowano prostą i efektywną metodę syntezy obu enancjomerów t-butoksykarbonylo chronionego pseudo dipeptydu (R) oraz (S)-Boc-Gly[CH(OH)CH2]Gly-OH.
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Model silnika spalinowego w formie grafów wiązań (GW).A model of the IC engine in the form of the bond graph (BG).
PublikacjaPrzedstawiono uzasadnienie użycia metody grafów wiązań do do modelowania silnika spalinowego jako źródła energii w systemach energetycznych składających się z elementów o różnej naturze fizycznej, na przykład w pojazdach hybrydowych. Przedstawiono propozycję formalizacji charakterystyki silników spalinowych wynikającą z przyjętej metody modelowania. Analityczną formę charakterystyki przedstawiono jako wielowymiarową funkcję wektorową....
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Diphosphinoboranes as Intramolecular Frustrated Lewis Pairs: P–B–P Bond Systems for the Activation of Dihydrogen, Carbon Dioxide, and Phenyl Isocyanate
PublikacjaHerein, we present the first example of the activation of small molecules by P-B-P bond systems. The reactivity study involves reactions of two selected diphosphinoboranes, (tBu2P)2BPh (1’) and (Cy2P)2BNiPr2 (2), that differ in terms of their structural and electronic properties for the activation of dihydrogen, carbon dioxide, and phenyl isocyanate. Diphosphinoborane 1’ activates H2 under very mild conditions in the absence of...
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Thioamides and selenoamides with chirality solely due to hindered rotation about the C-N bond: enantioselective complexation with optically active hosts
PublikacjaBariera rotacji wokół wiązania C-N w tioamidach jest średnio o 3-5 kcal/mol wyższa niż w odpowiednich amidach, a w analogicznych selenoamidach wzrasta jeszcze o 1 kcal/mol. Dzięki temu związki te występują w dwu enancjomerycznych formach, których wzajemna przemiana zachodzi w wyniku rotacji wokół wiązań C-N. Bariera rotacji jest wystarczająco wysoka, aby można było podjąć próbę ich rozdziału na enancjomery w temperaturze pokojowej....
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Activation of N2O and SO2 by the P–B Bond System. Reversible Binding of SO2 by the P–O–B Geminal Frustrated Lewis Pair
PublikacjaHerein, we present the first transformation of borylphosphine into borylphosphinite using nitrous oxide. Borylphosphine reacts with N2O via insertion of a single oxygen atom into the P−B bond and formation of a P−O−B bond system. Borylphosphine and borylphosphinite capture SO2 and activate it in an irreversible and reversible manner, respectively.