scholarly journals A Novel Ag-N-Heterocyclic Carbene Complex Bearing the Hydroxyethyl Ligand: Synthesis, Characterization, Crystal and Spectral Structures and Bioactivity Properties

Crystals ◽  
2020 ◽  
Vol 10 (3) ◽  
pp. 171 ◽  
Author(s):  
Aydin Aktas ◽  
Duygu Barut Celepci ◽  
Yetkin Gok ◽  
Parham Taslimi ◽  
Hulya Akincioglu ◽  
...  
Keyword(s):  
Carbonic Anhydrase ◽  
Diffraction Method ◽  
Metabolic Enzymes ◽  
The Novel ◽  
X Ray Diffraction ◽  
Inhibitory Effects ◽  
Benzimidazolium Salt ◽  
Drug Potency ◽  
Human Carbonic Anhydrase

In this study, a novel silver N-heterocyclic carbene (Ag-NHC) complex bearing hydroxyethyl substituent has been synthesized from the hydroxyethyl-substituted benzimidazolium salt and silver oxide by using in-situ deprotonation method. A structure of the Ag-NHC complex was characterized by using UV-Vis, FTIR, 1H-NMR and 13C-NMR spectroscopies and elemental analysis techniques. Also, the crystal structure of the novel complex was determined by single-crystal X-ray diffraction method. In this paper, compound 1 showed excellent inhibitory effects against some metabolic enzymes. This complex had Ki of 1.14 0.26 µM against human carbonic anhydrase I (hCA I), 1.88±0.20 µM against human carbonic anhydrase II (hCA I), and 10.75±2.47 µM against α-glycosidase, respectively. On the other hand, the Ki value was found as 25.32±3.76 µM against acetylcholinesterase (AChE) and 41.31±7.42 µM against butyrylcholinesterase (BChE), respectively. These results showed that the complex had drug potency against some diseases related to using metabolic enzymes.

scholarly journals The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II

Biomolecules ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 509 ◽  
Author(s):  
Steffen Glöckner ◽  
Khang Ngo ◽  
Björn Wagner ◽  
Andreas Heine ◽  
Gerhard Klebe
Keyword(s):  
Carbonic Anhydrase ◽  
Carbonic Anhydrase Ii ◽  
The Novel ◽  
Binding Modes ◽  
X Ray ◽  
Structure Activity ◽  
Small Set ◽  
Novel Method ◽  
Human Carbonic Anhydrase ◽  
Kinetics Of

The fluorination of lead-like compounds is a common tool in medicinal chemistry to alter molecular properties in various ways and with different goals. We herein present a detailed study of the binding of fluorinated benzenesulfonamides to human Carbonic Anhydrase II by complementing macromolecular X-ray crystallographic observations with thermodynamic and kinetic data collected with the novel method of kinITC. Our findings comprise so far unknown alternative binding modes in the crystalline state for some of the investigated compounds as well as complex thermodynamic and kinetic structure-activity relationships. They suggest that fluorination of the benzenesulfonamide core is especially advantageous in one position with respect to the kinetic signatures of binding and that a higher degree of fluorination does not necessarily provide for a higher affinity or more favorable kinetic binding profiles. Lastly, we propose a relationship between the kinetics of binding and ligand acidity based on a small set of compounds with similar substitution patterns.

scholarly journals Insertion of Phosphenium Ions into a Bicyclo[1.1.0]Tetraphosphabutane Iron Complex

Molecules ◽  
2021 ◽  
Vol 26 (13) ◽  
pp. 3920
Author(s):  
Martin Weber ◽  
Gábor Balázs ◽  
Alexander V. Virovets ◽  
Eugenia Peresypkina ◽  
Manfred Scheer
Keyword(s):  
Diffraction Analysis ◽  
Room Temperature ◽  
31P Nmr ◽  
Spectroscopic Studies ◽  
Iron Complex ◽  
The Novel ◽  
X Ray Diffraction ◽  
X Ray ◽  
Phosphenium Ions

By reacting [{Cp‴Fe(CO)2}2(µ,η1:1-P4)] (1) with in situ generated phosphenium ions [Ph2P][A] ([A]− = [OTf]− = [O3SCF3]−, [PF6]−), a mixture of two main products of the composition [{Cp‴Fe(CO)2}2(µ,η1:1-P5(C6H5)2)][PF6] (2a and 3a) could be identified by extensive 31P NMR spectroscopic studies at 193 K. Compound 3a was also characterized by X-ray diffraction analysis, showing the rarely observed bicyclo[2.1.0]pentaphosphapentane unit. At room temperature, the novel compound [{Cp‴Fe}(µ,η4:1-P5Ph2){Cp‴(CO)2Fe}][PF6] (4) is formed by decarbonylation. Reacting 1 with in situ generated diphenyl arsenium ions gives short-lived intermediates at 193 K which disproportionate at room temperature into tetraphenyldiarsine and [{Cp‴Fe(CO)2}4(µ4,η1:1:1:1-P8)][OTf]2 (5) containing a tetracyclo[3.3.0.02,7.03,6]octaphosphaoctane ligand.

Properties and Dynamics of Bulk Subgrains Probed In-Situ Using a Novel X-Ray Diffraction Method

2007 ◽  
pp. 613-618
Author(s):  
Bo Jakobsen ◽  
Ulrich Lienert ◽  
Jon Almer ◽  
Wolfgang Pantleon ◽  
Henning Friis Poulsen
Keyword(s):  
Diffraction Method ◽  
X Ray Diffraction ◽  
X Ray

In Situ Three-Dimensional Orientation Mapping in Plastically-Deformed Polycrystalline Iron by Three-Dimensional X-Ray Diffraction

2014 ◽  
Vol 777 ◽  
pp. 118-123 ◽  
Author(s):  
Yujiro Hayashi ◽  
Yoshiharu Hirose ◽  
Daigo Setoyama
Keyword(s):  
Three Dimensional ◽  
Diffraction Method ◽  
Inverse Pole Figure ◽  
Coarse Grained ◽  
Uniaxial Tensile ◽  
X Ray Diffraction ◽  
Polycrystalline Iron ◽  
X Ray ◽  
Orientation Mapping

In situ three-dimensional crystallographic orientation mapping in plastically-deformed polycrystalline iron is demonstrated using a modified three-dimensional x-ray diffraction method. This voxel-by-voxel measurement method enables the observation of intragranular orientation distribution. The experiment is performed using coarse-grained ferrite with a mean grain size of ~ 60 μm and an incident x-ray beam with a beam size of 20 μm × 20 μm. Grains averagely rotate approximately toward the <110> preferred orientation of body-centered cubic uniaxial tensile texture. Intragranular orientation distributions are spread as the tensile strain increases to 10.7 %. Furthermore, intragranular multidirectional rotations are observed in grains near the <100> and <111> corners in the inverse pole figure.

In situ X-Ray Diffraction Method to Study Natural Gas Hydrates

1998 ◽  
Vol 278-281 ◽  
pp. 335-341 ◽  
Author(s):  
C.C. Tang ◽  
M.C. Miller ◽  
Robert J. Cernik ◽  
S.M. Clark ◽  
C.A. Koh ◽  
...  
Keyword(s):  
Natural Gas ◽  
Gas Hydrates ◽  
Diffraction Method ◽  
X Ray Diffraction ◽  
X Ray ◽  
Natural Gas Hydrates

Investigation of the Inhibitory Effects of Human Carbonic Anhydrase I and Jack Bean Urease by Coumarin Derivates

2018 ◽  
Vol 14 (3) ◽  
pp. 226-232
Author(s):  
Imdat Aygul ◽  
Fatma Yaylaci Karahalil ◽  
Ozkan Danis ◽  
Ayşe Ogan ◽  
Sevgi Kolayli
Keyword(s):  
Carbonic Anhydrase ◽  
Jack Bean Urease ◽  
Inhibitory Effects ◽  
Jack Bean ◽  
Carbonic Anhydrase I ◽  
Human Carbonic Anhydrase

Synthesis of N-alkyl (aril)-tetra pyrimidine thiones and investigation of their human carbonic anhydrase I and II inhibitory effects

2015 ◽  
Vol 31 (6) ◽  
pp. 1192-1197 ◽  
Author(s):  
Afsun Sujayev ◽  
Leyla Polat Kose ◽  
Emin Garibov ◽  
İlhami Gülçin ◽  
Vagif Farzaliev ◽  
...  
Keyword(s):  
Carbonic Anhydrase ◽  
Inhibitory Effects ◽  
Carbonic Anhydrase I ◽  
Human Carbonic Anhydrase

Evaluation of Tri-Axial Magnetostriction in Cube-Oriented Fe-Ga Single Crystal by Using X-Ray Diffraction Method

2017 ◽  
Vol 909 ◽  
pp. 300-305 ◽  
Author(s):  
Takehito Ikeuchi ◽  
Akihiro Koyama ◽  
Muneyuki Imafuku ◽  
Shun Fujieda ◽  
Yusuke Onuki ◽  
...  
Keyword(s):  
Magnetic Field ◽  
Single Crystal ◽  
Volume Fraction ◽  
Diffraction Method ◽  
Diffraction Measurement ◽  
Magnetic Field Direction ◽  
Magnetic Domains ◽  
X Ray Diffraction ◽  
X Ray

We carried out in situ tri-axial magnetostriction analysis for cube-oriented Fe-18%Ga single crystal by X-ray diffraction measurement under magnetic field. Periodic change in tri-axial magnetostriction with applied magnetic field direction was clearly observed. However, those values in [100] and [010] directions were not equivalent. Theoretical calculation of magnetostriction considering domain structure revealed this is caused by the non-equivalent volume fraction of initial magnetic domains.

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