scholarly journals Preparation and Synthetic Applicability of Novel Imidazole-Containing Cyclic Iodonium Salts

2021 ◽  
Author(s):  
Antonkin Nikita ◽  
Yulia Vlasenko ◽  
Akira Yoshimura ◽  
Vladimir Smirnov ◽  
Tatyana Borodina ◽  
...  
Keyword(s):  
Elemental Sulfur ◽  
High Reactivity ◽  
Oxidative Cyclization ◽  
The Novel ◽  
Characteristic Surface ◽  
Iodonium Salts ◽  
X Ray ◽  
Surface Features ◽  
Novel Approach ◽  
Oxidative System

<p>The novel approach to the preparation of imidazole-substituted cyclic iodonium salts has been developed via oxidative cyclization of 1-phenyl-5-iodoimidazole using cheap and available Oxone<sup>®</sup>/H<sub>2</sub>SO<sub>4</sub> oxidative system. The structure of newly prepared compounds has been proved by X-ray monocrystal diffractometry revealing the characteristic surface features for cyclic iodonium salts. The prepared compounds demonstrated the high reactivity in the heterocyclization reactions with elemental sulfur affording benzo[5,1-<i>b</i>]imidazothiazoles with good yields.</p>

scholarly journals Preparation and Synthetic Applicability of Novel Imidazole-Containing Cyclic Iodonium Salts

2021 ◽  
Author(s):  
Antonkin Nikita ◽  
Yulia Vlasenko ◽  
Akira Yoshimura ◽  
Vladimir Smirnov ◽  
Tatyana Borodina ◽  
...  
Keyword(s):  
Elemental Sulfur ◽  
High Reactivity ◽  
Oxidative Cyclization ◽  
The Novel ◽  
Characteristic Surface ◽  
Iodonium Salts ◽  
X Ray ◽  
Surface Features ◽  
Novel Approach ◽  
Oxidative System

<p>The novel approach to the preparation of imidazole-substituted cyclic iodonium salts has been developed via oxidative cyclization of 1-phenyl-5-iodoimidazole using cheap and available Oxone<sup>®</sup>/H<sub>2</sub>SO<sub>4</sub> oxidative system. The structure of newly prepared compounds has been proved by X-ray monocrystal diffractometry revealing the characteristic surface features for cyclic iodonium salts. The prepared compounds demonstrated the high reactivity in the heterocyclization reactions with elemental sulfur affording benzo[5,1-<i>b</i>]imidazothiazoles with good yields.</p>

scholarly journals Space Constrained Homology Modelling: The Paradigm of the RNA-Dependent RNA Polymerase of Dengue (Type II) Virus

2013 ◽  
Vol 2013 ◽  
pp. 1-9 ◽  
Author(s):  
Dimitrios Vlachakis ◽  
Dimitrios Georgios Kontopoulos ◽  
Sophia Kossida
Keyword(s):  
Rna Polymerase ◽  
Sequence Similarity ◽  
Homology Modelling ◽  
The Novel ◽  
Type Ii ◽  
3D Scaffold ◽  
Rna Dependent Rna Polymerase ◽  
X Ray ◽  
Novel Approach ◽  
Modelling Approach

Protein structure is more conserved than sequence in nature. In this direction we developed a novel methodology that significantly improves conventional homology modelling when sequence identity is low, by taking into consideration 3D structural features of the template, such as size and shape. Herein, our new homology modelling approach was applied to the homology modelling of the RNA-dependent RNA polymerase (RdRp) of dengue (type II) virus. The RdRp of dengue was chosen due to the low sequence similarity shared between the dengue virus polymerase and the available templates, while purposely avoiding to use the actual X-ray structure that is available for the dengue RdRp. The novel approach takes advantage of 3D space corresponding to protein shape and size by creating a 3D scaffold of the template structure. The dengue polymerase model built by the novel approach exhibited all features of RNA-dependent RNA polymerases and was almost identical to the X-ray structure of the dengue RdRp, as opposed to the model built by conventional homology modelling. Therefore, we propose that the space-aided homology modelling approach can be of a more general use to homology modelling of enzymes sharing low sequence similarity with the template structures.

Unbiased analysis of neutron and X-ray reflectivity data by an evolution strategy

2002 ◽  
Vol 35 (3) ◽  
pp. 347-355 ◽  
Author(s):  
Erich Politsch ◽  
Gregor Cevc
Keyword(s):  
Scattering Length ◽  
Evolution Strategy ◽  
Free Form ◽  
The Novel ◽  
Maximum Information ◽  
X Ray ◽  
Long Wavelength ◽  
Novel Approach ◽  
Reflectivity Data ◽  
Maximum Information Entropy

A new method for the unbiased determination of scattering length density (SLD) profiles from neutron or X-ray reflectograms is presented, based on an evolution strategy. In contrast to existing methods, the new approach uses no constraints that could influence the fit result improperly. While it is widely agreed that SLD profile oscillations with small wavelength and small amplitude cannot be resolved, randomly occurring long-wavelength oscillations have been neglected to date despite the fact that such oscillations can tremendously affect the calculated SLD profile. No easy remedy exists for this problem within the framework of conventional reflectogram analysis methods. The analytical approach proposed in this work offers a solution based on the recognition that each perturbation which leads to an indistinguishable reflectivity has a negative pendant. Averaging of numerous different, randomly perturbed, profiles therefore cancels out random deviations and accentuates reliable features. Moreover, the resulting averaged free-form fit has maximum (information) entropy. The performance of the novel approach is demonstrated by analysing complex molecular arrangements at an air–water interface and comparing the results with prior evaluations.

Übergangsmetall-substituierte Phosphane, Arsane und Stibane, XXVII [1] Wolfram-Komplexe mit Di(tert-butyl)arsino-, mono- oder dihapto-Di(tert-butyl)thioarsinyl-Liganden / Transition-Metal Substituted Phosphanes, Arsanes and Stibanes, XXVII [1] Tungsten Complexes with Di(tert-butyl)arsino, mono- or dihapto-Di(tert-butyl)thioarsinyl Ligands

1981 ◽  
Vol 36 (12) ◽  
pp. 1580-1587 ◽  
Author(s):  
Wolfgang Malisch ◽  
Michael Luksza ◽  
William S. Sheldrick
Keyword(s):  
Transition Metal ◽  
Spectroscopic Data ◽  
Elemental Sulfur ◽  
Dynamic Behaviour ◽  
Monoclinic Space Group ◽  
The Novel ◽  
Space Group ◽  
X Ray ◽  
Tert Butyl ◽  
Tungsten Complexes

The reaction of But2AsCl with Na[W(CO)3Cp] in THF yields the metal arsine Cp(CO)3W−AsBut2 (1), which is oxidized with elemental sulfur to the arsine sulfide Cp(CO)3W−AsBut2(S) (2). 2 is converted in refluxing pentane with loss of CO into Cp(CO)2W(η2-AsBut2S) (3). The chiral complex contains the novel dihapto-But2As−S ligand and exhibits dynamic behaviour (⊿G≠286 = 15.4 kcal/mol). Side-on coordination of the But2As−S ligand is proved by spectroscopic data and X-ray analysis. 3 crystallizes in the monoclinic space group P21/n with a = 12.141(2), b = 15.179(2), c = 19.558(2) Å, β = 99.61(2)°. The structure was refined to R = 0.051 for 4087 independent reflections.

A Novel Approach to Discrimination in X-Ray Spectrographic Analysis

1958 ◽  
Vol 2 ◽  
pp. 229-237
Author(s):  
Paul Lublin
Keyword(s):  
Trace Element ◽  
Wave Length ◽  
Pulse Height ◽  
The Novel ◽  
Spectrographic Analysis ◽  
X Ray ◽  
Novel Approach ◽  
Excitation Potential ◽  
Considerable Loss

AbstractThere are various methods for handling the problem of interferences. One may me one of the weaker lines of the trace clement, but this results in considerable loss in the limit of detectability of this element. One may try pulse height discrimination techniques, but because of the linearity limitations of present day pulse height analyzers, complete elimination of the higher energy wave length is not possible. Another possible technique is to lower the kilovoltage below the excitation potential of the interfering element. This is satisfactory, but again the limit of detectability is raised for the trace element. There are many other “devices” which may be tried, but all of these involve a loss in sensitivity in the determination of the trace element.The “novel” approach involves the use of an analyzing crystal whose second order reflection is missing due to crystal structure considerations. Germanium or silicon, cut so that (111) planes are parallel to the surface of the crystal, would be satisfactory analyzers for this purpose. The use of one of these crystals and the application of this method to the niobium-tantalum and zirconium-hafnium systems are discussed.

Acalypha Indica mediated MgO NPs: A novel approach in greener route with its antibacterial activity against pathogens

2020 ◽  
Vol 3 (2) ◽  
Author(s):  
Kavipriya K C ◽  
Sudha A P ◽  
Sujatha K ◽  
Sowmya Lakshmi K
Keyword(s):  
Antibacterial Activity ◽  
Metal Oxides ◽  
Bacterial Species ◽  
Magnesium Nitrate ◽  
Precipitation Method ◽  
Average Crystalline Size ◽  
Face Centered Cubic ◽  
X Ray ◽  
Novel Approach ◽  
Acalypha Indica

The interest in miniaturization of particles revealed the hidden applications of metal oxides. The potential applications of the particles may vary when the size of the particle is reduced. One of the alternative routes to the conventional approach is the use of plant extract for the synthesis of metal oxides NPs. In the framework of this study, the ecofriendly MgO nanoparticles were synthesized using Acalypha Indica leaf extract,functioning as reducing and capping agent by co-precipitation method. The predecessor taken here was Magnesium Nitrate. The biologically synthesized MgO NPs were characterized by various techniques like X ray diffraction(XRD), Fourier Transform infrared spectroscopy(FTIR), Scanning electron microscope (SEM) with Energy Dispersive X-ray spectroscopy(EDX) profile and its antibacterial activity is evaluated against causative organisms. XRD studies confirmed the face centered cubic crystalline structure of MgO NPs and the average crystalline size of MgO NPs calculated using Scherer’s formula was found to be 13 nm. FTIR spectrum shows a significant Mg-O vibrational band. Purity, surface morphology and chemical composition of elements were confirmed by SEM with EDX. The SEM result shows the fine spherical morphology with the grain size range between 43nm to 62nm. Antimicrobial assay of MgO NPs was examined against gram positive and negative bacteria. Appreciated activity was observed on the Staphylococcus aureus bacterial species. In general, the renewed attempt of this facile approach gave the optimum results of multifunctional MgO NPs.

Exploring normative perceptions and misperceptions of private, environmentally impactful behaviours

2020 ◽  
Author(s):  
Elaine Gallagher ◽  
Bas Verplanken ◽  
Ian Walker
Keyword(s):  
Social Norms ◽  
Behaviour Change ◽  
Social Contexts ◽  
The Novel ◽  
Normative Influence ◽  
Change Mechanism ◽  
Novel Approach ◽  
Classical Studies ◽  
Referent Group

Social norms have been shown to be an effective behaviour change mechanism across diverse behaviours, demonstrated from classical studies to more recent behaviour change research. Much of this research has focused on environmentally impactful actions. Social norms are typically utilised for behaviour change in social contexts, which facilitates the important element of the behaviour being visible to the referent group. This ensures that behaviours can be learned through observation and that deviations from the acceptable behaviour can be easily sanctioned or approved by the referent group. There has been little focus on how effective social norms are in private or non-social contexts, despite a multitude of environmentally impactful behaviours occurring in the home, for example. The current study took the novel approach to explore if private behaviours are important in the context of normative influence, and if the lack of a referent groups results in inaccurate normative perceptions and misguided behaviours. Findings demonstrated variance in normative perceptions of private behaviours, and that these misperceptions may influence behaviour. These behaviours are deemed to be more environmentally harmful, and respondents are less comfortable with these behaviours being visible to others, than non-private behaviours. The research reveals the importance of focusing on private behaviours, which have been largely overlooked in the normative influence literature.

Ten-Vertex Polyhedral Monocarbaborane Chemistry. The Novel High-Yield Formation of the Ten-Vertex closo Compound [6-(PMe2Ph)-closo-1-CB9H9] from the Thermolysis of [8,8-(PMe2Ph)2-nido-8,7-PtCB9H11]

1993 ◽  
Vol 58 (12) ◽  
pp. 2924-2935 ◽  
Author(s):  
Jane H. Jones ◽  
Bohumil Štíbr ◽  
John D. Kennedy ◽  
Mark Thornton-Pett
Keyword(s):  
Nmr Spectroscopy ◽  
Diffraction Analysis ◽  
High Yield ◽  
Monoclinic Space Group ◽  
The Novel ◽  
X Ray Diffraction ◽  
Metal Centre ◽  
X Ray ◽  
Yield Formation ◽  
Boiling Toluene

Thermolysis of [8,8-(PMe2Ph)2-nido-8,7-PtCB9H11] in boiling toluene solution results in an elimination of the platinum centre and cluster closure to give the ten-vertex closo species [6-(PMe2Ph)-closo-1-CB9H9] in 85% yield as a colourles air stable solid. The product is characterized by NMR spectroscopy and single-crystal X-ray diffraction analysis. Crystals (from hexane-dichloromethane) are monoclinic, space group P21/c, with a = 903.20(9), b = 1 481.86(11), c = 2 320.0(2) pm, β = 97.860(7)° and Z = 8, and the structure has been refined to R(Rw) = 0.045(0.051) for 3 281 observed reflections with Fo > 2.0σ(Fo). The clean high-yield elimination of a metal centre from a polyhedral metallaborane or metallaheteroborane species is very rare.

scholarly journals Some Novel Cobalt Diphenylphosphine Complexes: Synthesis, Characterization, and Behavior in the Polymerization of 1,3-Butadiene

Molecules ◽  
2021 ◽  
Vol 26 (13) ◽  
pp. 4067
Author(s):  
Giovanni Ricci ◽  
Giuseppe Leone ◽  
Giorgia Zanchin ◽  
Benedetta Palucci ◽  
Alessandra Forni ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
The Novel ◽  
X Ray Diffraction ◽  
X Ray ◽  
And Behavior

Some novel cobalt diphenylphosphine complexes were synthesized by reacting cobalt(II) chloride with (2-methoxyethyl)diphenylphosphine, (2-methoxyphenyl)diphenylphosphine, and 2-(1,1-dimethylpropyl)-6-(diphenylphosphino)pyridine. Single crystals suitable for X-ray diffraction studies were obtained for the first two complexes, and their crystal structure was determined. The novel compounds were then used in association with methylaluminoxane (MAO) for the polymerization of 1,3-butadiene, and their behavior was compared with that exhibited in the polymerization of the same monomer by the systems CoCl2(PnPrPh2)2/MAO and CoCl2(PPh3)2/MAO. Some significant differences were observed depending on the MAO/Co ratio used, and a plausible interpretation for such a different behavior is proposed.

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