scholarly journals New Substituted Benzoylthiourea Derivatives: From Design to Antimicrobial Applications

Molecules ◽  
2020 ◽  
Vol 25 (7) ◽  
pp. 1478
Author(s):  
Carmen Limban ◽  
Mariana Carmen Chifiriuc ◽  
Miron Teodor Caproiu ◽  
Florea Dumitrascu ◽  
Marilena Ferbinteanu ◽  
...  
Keyword(s):  
Phenyl Ring ◽  
Fluorine Atom ◽  
Antibacterial Effect ◽  
Dna Gyrase ◽  
Therapeutic Agents ◽  
Antibiofilm Activity ◽  
X Ray Diffraction ◽  
X Ray ◽  
E Coli ◽  
New Compounds

The increasing threat of antimicrobial resistance to all currently available therapeutic agents has urged the development of novel antimicrobials. In this context, a series of new benzoylthiourea derivatives substituted with one or more fluorine atoms and with the trifluoromethyl group have been tested, synthesized, and characterized by IR, NMR, CHNS and crystal X-ray diffraction. The molecular docking has provided information regarding the binding affinity and the orientation of the new compounds to Escherichia coli DNA gyrase B. The docking score predicted the antimicrobial activity of the studied compounds, especially against E. coli, which was further demonstrated experimentally against planktonic and biofilm embedded bacterial and fungal cells. The compounds bearing one fluorine atom on the phenyl ring have shown the best antibacterial effect, while those with three fluorine atoms exhibited the most intensive antifungal activity. All tested compounds exhibited antibiofilm activity, correlated with the trifluoromethyl substituent, most favorable in para position.

The Silver-Loaded Diatomite Prepared by Ion Exchange and its Antibacterial Effect

2013 ◽  
Vol 744 ◽  
pp. 311-314
Author(s):  
Chun Ping Wang ◽  
Shao Ping Chen ◽  
Jia Chao Chen
Keyword(s):  
Ion Exchange ◽  
Antibacterial Effect ◽  
Antibacterial Properties ◽  
Silver Ions ◽  
Preparation Process ◽  
X Ray Diffraction ◽  
X Ray ◽  
E Coli ◽  
Good Antibacterial Activity ◽  
Experiment Method

In order to optimize the preparation process of silver-loaded diatomite, the effect of the adsorption time, temperature and the concentration of silver nitrate on the content of silver ions in diatomite were investigated through ion exchange experiment method. And the antibacterial properties were measured by Haloes method. The samples were characterized by Fourier transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD). The results show that the loading of the silver ions is no change in the microscopic structure of the diatomite, the silver exists in diatomite as the ion. The content of silver in the diatomite is 0.523g/g under the condition of AgNO3 (0.5mol/L) and temperature 70°C. The silver-loaded diatomite has good antibacterial activity on E. coli.

Ribosome Structural Organization

1974 ◽  
Vol 32 ◽  
pp. 332-333
Author(s):  
James A. Lake
Keyword(s):  
Ribosomal Proteins ◽  
Structural Organization ◽  
Three Dimensional ◽  
Small Subunit ◽  
Structural Studies ◽  
X Ray Diffraction ◽  
Specific Antibodies ◽  
X Ray ◽  
E Coli ◽  
Complete Sequences

The understanding of ribosome structure has advanced considerably in the last several years. Biochemists have characterized the constituent proteins and rRNA's of ribosomes. Complete sequences have been determined for some ribosomal proteins and specific antibodies have been prepared against all E. coli small subunit proteins. In addition, a number of naturally occuring systems of three dimensional ribosome crystals which are suitable for structural studies have been observed in eukaryotes. Although the crystals are, in general, too small for X-ray diffraction, their size is ideal for electron microscopy.

RNA polymerase: Preparation and structural analysis of helical polymers

1984 ◽  
Vol 42 ◽  
pp. 152-153
Author(s):  
E. Loren Buhle ◽  
Pamela Rew ◽  
Ueli Aebi
Keyword(s):  
Structural Analysis ◽  
Rna Polymerase ◽  
Molecular Level ◽  
X Ray Diffraction ◽  
Helical Polymers ◽  
X Ray ◽  
E Coli ◽  
The Past ◽  
Ordered Arrays ◽  
Low Ionic Strength

While DNA-dependent RNA polymerase represents one of the key enzymes involved in transcription and ultimately in gene expression in procaryotic and eucaryotic cells, little progress has been made towards elucidation of its 3-D structure at the molecular level over the past few years. This is mainly because to date no 3-D crystals suitable for X-ray diffraction analysis have been obtained with this rather large (MW ~500 kd) multi-subunit (α2ββ'ζ). As an alternative, we have been trying to form ordered arrays of RNA polymerase from E. coli suitable for structural analysis in the electron microscope combined with image processing. Here we report about helical polymers induced from holoenzyme (α2ββ'ζ) at low ionic strength with 5-7 mM MnCl2 (see Fig. 1a). The presence of the ζ-subunit (MW 86 kd) is required to form these polymers, since the core enzyme (α2ββ') does fail to assemble into such structures under these conditions.

Effect of Ce3+ Ions Doped NiFe2O4 Magnetic Nanoparticles on Photocatalytic Degradation of Rhodamine B and Antibacterial Activities

2021 ◽  
Vol 21 (11) ◽  
pp. 5784-5793
Author(s):  
K. Geetha ◽  
R. Udhayakumar
Keyword(s):  
Photocatalytic Degradation ◽  
Rhodamine B ◽  
Spinel Ferrite ◽  
Magnetic Hysteresis ◽  
Aloe Vera ◽  
Antibacterial Activities ◽  
X Ray Diffraction ◽  
X Ray ◽  
E Coli ◽  
Ferrite Structure

In this study, spinel NiCexFe2–XO4 (x = 0.0 - 0.5) nanoparticles (NPs) was synthesized by microwave combustion technique (MCT) utilizing the fuel of Aloe vera plant extract. The establishment of spinel cubic crystal structure was ensured by powder X-ray diffraction (PXRD) technique. The particles like nanostructured morphology were confirmed by high-resolution scanning electron microscope (HRSEM). Energy dispersive X-ray (EDX) studies confirmed the formation of spinel ferrite structure and ensured that no other elements were present. Magnetic parameters such as remanant magnetisation (Mr), coercivity (He) and saturation magnetization (Ms) were calculated from the magnetic hysteresis (M-H) loops, which exhibited ferromagnetic behaviour. The photocatalytic behavior was investigated by visible light treatment for the photocatalytic degradation (PCD) of rhodamine B (Rh-B) dye and the sample NiCe0.3Fe1.7O4 exhibits higher PCD efficiency (93.88%) than other compositions. The antibacterial activities of gram-positive S. aureus, B. subtilis, gramnegative K. pneumonia and E. coli have been investigated using undoped and Ce3+ substituted NiFe2O4 NPs and observed higher activity, which indicated that, they can be used in the bio-medical applications.

Two types of Ln2Cu2 hydroxo-trimethylacetate complexes with 0D and 1D motifs: synthetic features, structural differences, and slow magnetic relaxation

2021 ◽  
Author(s):  
Anna Bovkunova ◽  
Evgeniya S. Bazhina ◽  
Igor Evstifeev ◽  
Yulia V. Nelyubina ◽  
Maxim Shmelev ◽  
...  
Keyword(s):  
Magnetic Relaxation ◽  
X Ray Diffraction ◽  
Metal Core ◽  
X Ray ◽  
Trimethylacetate Complexes ◽  
Structural Differences ◽  
Slow Magnetic Relaxation ◽  
New Compounds

Two series of heterometallic LnIII−CuII compounds containing a butterfly-like tetranuclear metal core were synthesized and characterized by X-ray diffraction and magnetometry. The structures of the new compounds were shown to...

scholarly journals Crystallization and preliminary X-ray diffraction analysis of UspE fromEscherichia coli

2014 ◽  
Vol 70 (12) ◽  
pp. 1640-1642 ◽  
Author(s):  
Yongbin Xu ◽  
Chun-Shan Quan ◽  
Xuanzhen Jin ◽  
Xiaoling Jin ◽  
Jing Zhao ◽  
...  
Keyword(s):  
Stress Proteins ◽  
Gel Filtration ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Data Set ◽  
X Ray ◽  
Cell Parameters ◽  
E Coli ◽  
Vapour Diffusion ◽  
Induced Genes

Universal stress proteins (Usps) are among the most highly induced genes when bacteria are subjected to several stress conditions such as heat shock, nutrient starvation or the presence of oxidants or other stress agents.Escherichia colihas five small Usps and one tandem-type Usp. UspE (or YdaA) is the tandem-type Usp and consists of two Usp domains arranged in tandem. To date, the structure of UspE remains to be elucidated. To contribute to the molecular understanding of the function of the tandem-type UspE, UspE fromE. coliwas overexpressed and the recombinant protein was purified using Ni–NTA affinity, Q anion-exchange and gel-filtration chromatography. Crystals of UspE were obtained by sitting-drop vapour diffusion. A diffraction data set was collected to a resolution of 3.2 Å from flash-cooled crystals. The crystals belonged to the tetragonal space groupI4122 orI4322, with unit-cell parametersa=b= 121.1,c = 241.7 Å.

Synthese und Kristallstrukturen einiger Tetramethylstibonium-Hydrogendicarboxylate / Synthesis and Crystal Structures of Some Tetramethylstibonium Hydrogendicarboxylates

1982 ◽  
Vol 37 (11) ◽  
pp. 1393-1401 ◽  
Author(s):  
Beatrix Milewski-Mahrla ◽  
Hubert Schmidbaur
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Spectroscopic Data ◽  
Molar Ratio ◽  
Ionic Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Carboxylate Oxygen ◽  
Donor Acceptor ◽  
New Compounds

Reactions of pentamethylantimony (CH3)5Sb with carboxylic acids in the molar ratio 1:2 afford one equivalent of methane and essentially quantitative yields of crystalline tetramothylstibonium hydrogendicarboxylates. Six new compounds of this series have been synthesized using benzoic, o-phthalic, salicylic, 4-ethoxy-salicylic, oxalic, and malic acid, and characterized by analytical and spectroscopic data. An ionic structure with strong hydrogen bonds in the anionic components is proposed.The crystal structures of the hydrogen-dibenzoato (1), hydrogen-ortho-plithalato (2) and 4-ethoxy-hydrogen-salicylate (3) were determined by single crystal X-ray diffraction. The compounds can be described as having ionic lattices with some donor-acceptor inter­actions between the stibonium centers and the carboxylate oxygen atoms. The anions are characterized by strong hydrogen bonds O...H...O. Thus, the (CH3)4Sb-tetrahedron in 1 is distorted by two benzoate oxygon atoms (at 304(2) and 340(2) pin). The cation in 2 is largely undistorted and the anion has a hydrogenphthalate hydrogen bond of d(O...H...O) = 232 pm. The cation-anion contact in 3 is as short as d(Sb-O) = 289 pm rendering the Sb atom pentacoordinate.

scholarly journals The Effects of Copper Addition on The Structure and Antibacterial Properties of Biomedical Glasses

2020 ◽  
Author(s):  
Leyla Mojtabavi ◽  
Amir Razavi
Keyword(s):  
Antibacterial Properties ◽  
Inhibition Zone ◽  
X Ray Diffraction ◽  
Network Modifier ◽  
X Ray ◽  
E Coli ◽  
Copper Addition ◽  
Xrd Patterns ◽  
Copper Incorporation ◽  
Glass Compositions

AbstractIn this work, we studied the effects of copper incorporation in the composition of bioactive glass. Three different glass compositions were synthesized with 0, 3, and 6 mol% of copper addition. X-Ray Diffraction (XRD) patterns confirmed that an amorphous microstructure was obtained for all three glass compositions. Results from Differential Thermal Analysis (DTA) showed that the copper addition in the glass lowers the glass transition temperature, from 646°C to 590°C when added at 6 mol%. X-ray Photoelectron (XPS) survey and high-resolution scans were performed to study the structural effects of copper addition in the glass. Results indicated that the incorporation of copper changes the ratio of bridging to non-birding oxygens in the structure. Glasses were further analyzed for their structure with Nuclear Magnetic Resonance (NMR) spectroscopy, which indicated that copper acts as a network modifier in the glass composition and copper-containing glasses show a less connected microstructure. Antibacterial efficacy of the glasses was analyzed against E. coli and S. epidermis. Copper-containing glasses showed a significantly higher inhibition zone compared to control glass. The glass with 6 mol% copper, exhibited inhibition zones of 9 and 16mm against E. coli and S. epidermis bacteria, respectively.

Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction

CrystEngComm ◽  
2021 ◽  
Author(s):  
Wei Meng ◽  
Lin Du ◽  
Lin Sun ◽  
Lian Zhou ◽  
Xiaopeng Xuan ◽  
...  
Keyword(s):  
Single Crystal ◽  
Phenyl Ring ◽  
Functional Group ◽  
Variable Temperature ◽  
Molecular Motions ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
X Ray ◽  
Conformation Changes

One organic functional group was introduced to distinguish the four phenyl ring of tetraphenylethylene, and the In situ temperature-dependent crystal structures were determined to exhibit the conformation changes of tert-butyl...

Structure and Molecular Motions in Rubidium Tetraphenylborate

2002 ◽  
Vol 57 (11) ◽  
pp. 847-853 ◽  
Author(s):  
A. Pajzderska ◽  
H. Małuszyńska ◽  
J. Wa̡sicki
Keyword(s):  
Potential Energy ◽  
Small Angle ◽  
Phenyl Ring ◽  
Unit Cell ◽  
Molecular Motions ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Ring Rotation ◽  
Phenyl Rings

By X-ray diffraction it was found that at 293 K the crystals of rubidium tetraphenylborate are tetragonal, space group I42m, a = b = 11.212(2) Å, c = 8.098(2) Å , with 2 molecules of Rb+[C24H20B]- in the unit cell. The molecular reorientations as functions of temperature were studied by 1H NMR. Two types of motions were detected: an anisotropic reorientation of the tetraphenylborate anions about their mass centres, and small-angle reorientations / oscillations of the phenyl rings. The dependence of the potential energy of the anion in the crystal on the angle of the phenyl ring rotation about the B-Ph bond was obtained on the basis of atom-atom calculations. The dynamics of this compound was compared to that of tetraphenyltin.

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