scholarly journals Computational Design and Development of Benzodioxane-Benzamides as Potent Inhibitors of FtsZ by Exploring the Hydrophobic Subpocket

Antibiotics ◽  
2021 ◽  
Vol 10 (4) ◽  
pp. 442
Author(s):  
Valentina Straniero ◽  
Victor Sebastián-Pérez ◽  
Lorenzo Suigo ◽  
William Margolin ◽  
Andrea Casiraghi ◽  
...  
Keyword(s):  
Physical Stability ◽  
Chemical Properties ◽  
Computational Design ◽  
Multidrug Resistant ◽  
Computational Studies ◽  
Physical Chemical ◽  
Z Ring ◽  
Prokaryotic Protein ◽  
Ftsz Inhibitors

Multidrug resistant Staphylococcus aureus is a severe threat, responsible for most of the nosocomial infections globally. This resistant strain is associated with a 64% increase in death compared to the antibiotic-susceptible strain. The prokaryotic protein FtsZ and the cell division cycle have been validated as potential targets to exploit in the general battle against antibiotic resistance. Despite the discovery and development of several anti-FtsZ compounds, no FtsZ inhibitors are currently used in therapy. This work further develops benzodioxane-benzamide FtsZ inhibitors. We seek to find more potent compounds using computational studies, with encouraging predicted drug-like profiles. We report the synthesis and the characterization of novel promising derivatives that exhibit very low MICs towards both methicillin-susceptible and -resistant S. aureus, as well as another Gram positive species, Bacillus subtilis, while possessing good predicted physical-chemical properties in terms of solubility, permeability, and chemical and physical stability. In addition, we demonstrate by fluorescence microscopy that Z ring formation and FtsZ localization are strongly perturbed by our derivatives, thus validating the target.

scholarly journals Rapid enrichment of peptides with calcium-chelating capacity and characterization of physical chemical properties

2019 ◽  
Vol 48 (4) ◽  
pp. 466-476
Author(s):  
S.F. Wu ◽  
W. Qi ◽  
Y.F. Wang ◽  
R.X. Su ◽  
Z.M. He
Keyword(s):  
Chemical Properties ◽  
Physical Chemical

scholarly journals Characterization of residual biomass from the harvest of Eucalyptus saligna for thermal conversion processes

2020 ◽  
Vol 24 ◽  
pp. e13
Author(s):  
Joyce Helena da Silveira ◽  
Ricardo Henrique Thomé Dorneles ◽  
Victor Hugo Andreis Sebben ◽  
Fabiano Perin Gasparin ◽  
Lúcia Allebrandt da Silva Ries
Keyword(s):  
Cellulose Degradation ◽  
Chemical Properties ◽  
Thermal Conversion ◽  
Proximate Analysis ◽  
Added Value ◽  
Eucalyptus Saligna ◽  
High Heating Value ◽  
Physical Chemical ◽  
Eucalyptus Wood

Considering the increasing need for renewable products, the present work aims to evaluate the physical-chemical properties of the eucalyptus harvest residues and its constituent fractions individually (barks, leaves, and branches), through proximate, ultimate, energetic and thermal analyzes. The biomass studied was Eucalyptus saligna species, cultivated mainly for the production of pulp and paper. The proximate analysis of the residue resulted in the moisture content of 10.1%, ash content of 3.9%, volatile materials about 81.1%, and fixed carbon of 15.0%, showing similar values to the constituent fractions. The ultimate analysis of the residue resulted in 46.5% of carbon content, 5.8% of hydrogen, and 43.2% of oxygen. The high heating value (HHV) for the residue is 17.93 MJ/kg, comparable to other biomasses of importance, including eucalyptus wood, the noblest part of the forest cultivation. The thermogravimetric (TGA) and differential thermal analysis (DTA) were carried out and the resulting thermograms show three main ranges of biomass degradation. The first range, from 30 to 150 °C, corresponds to the drying of the material; in the range from 200 to 325 °C hemicelluloses degrade, with partial degradation of lignin and cellulose, and in the range from 325 to 380 °C, the majority of cellulose degradation takes place. The physical-chemical data demonstrate that the eucalyptus residue is an excellent source of biomass for thermal conversion processes. Obtaining products with higher added value from this residue contributes to the implementation of new technological practices that link economic development to environmental responsibility.

scholarly journals Isolation and Characterization of a Novel Phage for Controlling Multidrug-Resistant Klebsiella pneumoniae

2020 ◽  
Vol 8 (4) ◽  
pp. 542 ◽  
Author(s):  
Qin Peng ◽  
Meng Fang ◽  
Xushan Liu ◽  
Chunling Zhang ◽  
Yue Liu ◽  
...  
Keyword(s):  
Bacterial Pathogens ◽  
Physical Stability ◽  
Genomic Analysis ◽  
Multidrug Resistant ◽  
Comparative Genomic ◽  
High Antibacterial Activity ◽  
Isolation And Characterization ◽  
Hospital Sewage ◽  
Siphoviridae Family

The emergence of multidrug-resistant bacterial pathogens has severely threatened global health. A phage with the ability to efficiently and specifically lyse bacteria is considered an alternative for controlling multidrug-resistant bacterial pathogens. The discovery of novel agents for controlling the infections caused by K. pneumoniae is urgent due to the broad multidrug-resistance of K. pneumoniae. Only a few phage isolates have been reported to infect multidrug-resistant K. pneumoniae. In this study, by using the multidrug-resistant K. pneumoniae strain as an indicator, a novel phage called vB_KleS-HSE3, which maintains high antibacterial activity and high physical stability, was isolated from hospital sewage. This phage infected one of four tested multidrug-resistant K. pneumoniae strains. This phage belongs to the Siphoviridae family and a comparative genomic analysis showed that this phage is part of a novel phage lineage among the Siphoviridae family of phages that infect strains of Klebsiella. Based on its features, the vB_KleS-HSE3 phage has potential for controlling infections caused by multidrug-resistant K. pneumoniae.

scholarly journals Geotechnical and Physico-Chemical Characterization of Low Lime Fly Ashes

2013 ◽  
Vol 2013 ◽  
pp. 1-11 ◽  
Author(s):  
Arif Ali Baig Moghal
Keyword(s):  
Chemical Properties ◽  
Chemical Characterization ◽  
Relative Importance ◽  
Physical And Chemical Properties ◽  
Fly Ashes ◽  
Physical Chemical ◽  
Physico Chemical ◽  
Physical And Chemical ◽  
And Chemical Properties

In order to explore the possibility of using low-lime fly ashes, the physical and chemical properties which have a direct bearing on their geotechnical and geoenvironmental behaviors have been investigated. In this paper, two types of low-lime fly ashes, originating from India, have been used. A brief account of various methods adopted in characterizing their physical, chemical, and geotechnical properties is presented. The relative importance of each of these properties in enhancing the bulk applicability of fly ashes has been brought out.

scholarly journals Structural Characterization of Albendazole with the Use of X-Ray Diffraction

2014 ◽  
Vol 70 (a1) ◽  
pp. C1808-C1808 ◽  
Author(s):  
Kelly Lixandrão ◽  
Fabio Ferreira
Keyword(s):  
Crystal Structures ◽  
Structural Characterization ◽  
Rietveld Method ◽  
Low Cost ◽  
Chemical Properties ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
X Ray ◽  
Physical Chemical

Drugs may present polycrystalline polymorphism (property of a substance to crystallize in more than one form or crystal structure). These variations can cause changes in physical-chemical properties and differences between the polymorphs as shape, solubility, density, melting range, among other consequences, leading to formulations that are not effective, although the chemical formula is the same [1]. Drugs such as albendazole (C12H15N3O2S, which is one of the most effective anthelmintics, [2] showing activity against nematodes, trematodes and cestodes, reasons that added to its safety and low cost have made it a drug widely used in human medicine and veterinary), has more than two different crystal structures, and only two of them are known. The X-ray powder diffraction is a powerful technique used in the structural characterization of drugs, and coupled with the Rietveld method [4], the quantification of the active phases, through the knowledge of their crystal structures, becomes possible. In this paper we discuss results on the differences between the polymorphs of albendazole, with data obtained by means of X-ray diffraction, thermal analysis (differential scanning calorimetry and thermogravimetric analysis), Fourier transform infrared spectroscopy and scanning electron microscopy.

Preparation and Characterization of Modified Activated Carbon and its Influencing Factors of Cd2+ Adsorption

2010 ◽  
Vol 152-153 ◽  
pp. 935-939
Author(s):  
Chun Sheng Ding ◽  
Qian Fen Zhu ◽  
Ping Ning ◽  
Jing Ke Lu
Keyword(s):  
Activated Carbon ◽  
Ph Value ◽  
Influencing Factor ◽  
Chemical Properties ◽  
Adsorption Ability ◽  
Modified Activated Carbon ◽  
Physical Chemical ◽  
Removal Efficiencies ◽  
In Virtue Of

In order to improve the Cd2+ adsorption ability, the granular activated carbon (GAC) was modified with different treatments, and the Cd2+ removal efficiencies (REs) by the treated GACs were then comparatively investigated under different conditions. The surface physical-chemical properties of these carbons were further characterized in virtue of BET and Boehm’s titration, etc. The results demonstrate that the specific surface area and surface oxy acidity functional groups of GAC changed to some certain after the different treatments, especially for that with HNO3 oxidizing. It therefore led to an improvement of Cd2+ adsorption ability, and the corresponding REs by the N-GACs that were respectively modified with 10% and 70% HNO3 were significantly higher than that by the original GAC (i.e., 41% and 57% vs. 10%). pH was found to be the most vital influencing factor for the Cd2+ adsorption, and the Cd2+ REs by the tested GACs were all increased with an elevation in the pH value.

Physical Chemical Characterization of Five Earthy-Musty-Smelling Compounds

1992 ◽  
Vol 25 (2) ◽  
pp. 81-88 ◽  
Author(s):  
M. Pirbazari ◽  
H. S. Borow ◽  
S. Craig ◽  
V. Ravindran ◽  
M. J. McGuire
Keyword(s):  
Refractive Index ◽  
Statistical Analysis ◽  
Potable Water ◽  
Chemical Properties ◽  
Chemical Characterization ◽  
Aqueous Solubility ◽  
Physical Chemical ◽  
Water Partition Coefficient ◽  
New Procedures

The occurrence of earthy-musty taste and odors in potable water supplies has been attributed to the presence of several organic compounds at ng/l, including geosmin, 2-methylisoborneol (MIB), 2-isobutyl-3-methoxy pyrazine, 2-isopropyl-3-methoxy pyrazine and 2,4,6-trichloroanisole. Microana-lytical techniques were employed for determining the physical/chemical properties of these compounds, hitherto uncharacterized. The properties determined were melting point, boiling point, refractive index, density, aqueous solubility, octanol/water partition coefficient and Henry's law constant. Since standard micromethods could not be employed for geosmin and MIB because of their scarcity, either these methods were refined or new procedures were developed. The experimental techniques were tested with reference compounds, the properties of which were reported in the literature. Statistical analysis reflected the accuracy and reproducibility of these procedures.

Purification and Characterization of a Natural Brazilian Clay Blend

2012 ◽  
Vol 727-728 ◽  
pp. 1439-1443 ◽  
Author(s):  
M.G. Silva-Valenzuela ◽  
Flavio M.S. Carvalho ◽  
Isaac Jamil Sayeg ◽  
L.G. Sant’Anna ◽  
F.R. Valenzuela-Díaz
Keyword(s):  
Chemical Properties ◽  
Northeastern Brazil ◽  
Natural Clay ◽  
Purification And Characterization ◽  
Swelling Properties ◽  
X Ray ◽  
Industrial Sectors ◽  
Physical Chemical ◽  
Distinct Morphology

Clay blends are products used in several industrial sectors, such as petrochemical or pharmaceutical. In this work we describe a natural clay blend occurring in northeastern Brazil. The aim was to purify and investigate their rheological and physical-chemical properties. Foster essays with water and organic solvents were utilized to access the swelling properties of the analyzed sample. Powder X-ray diffractograms (PXRD) were utilized to analyze qualitatively the clay minerals presents in the sample blend. Scanning eletronic microscopy (SEM) and Malvern techniques were used to investigate the sample clay morphology. The purification proceeding allowed separate distinct clay phases with different colors. PXRD analysis demonstrated that each clay phase presents similar structure. SEM and Malvern analysis showed distinct morphology and different size distribution for each clay phase. Our results revealed that the analyzed sample clay may be classified as smectite blend with strong potential for use in pharmaceutical and cosmetic products.

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