Theoretical investigation of dissociative and non-dissociative acetic-acid on TiO2-B surfaces

2019 ◽  
Vol 494 ◽  
pp. 850-858 ◽  
Author(s):  
Wei Yan ◽  
Xiaojia Yuan ◽  
Xiaojie Liu
Keyword(s):  
Acetic Acid ◽  
Theoretical Investigation

scholarly journals EXPERIMENTAL AND THEORETICAL INVESTIGATION OF THE CORROSION PROPERTIES OF STEEL X13 IN THE ACETIC ACID AT 20 AND 80°С

2017 ◽  
Vol 14 (27) ◽  
pp. 19-29
Author(s):  
Dmitrii Andreevich MANANNIKOV ◽  
Vladimir Pavlovich PARSHUKOV ◽  
Pavel Anatolyevich NIKOLAYCHUK
Keyword(s):  
Stainless Steel ◽  
Acetic Acid ◽  
Theoretical Investigation ◽  
Corrosion Behaviour ◽  
Electrochemical Characteristics ◽  
Corrosion Properties ◽  
Phase Layer ◽  
Iron Oxalate ◽  
Potentiostatic Method

Polarisation curves of stainless steel Х13 in a 5% NaCl + 0.5% CH3COOH + CH3COONa + CO2 (PCO2 = 0.1 МPa) solution at рН 3 and 4 and temperatures 20 and 80°С were obtained by the potentiostatic method. The corrosion-electrochemical characteristics of the steel in these environments were measured. The potential – pH diagrams of system steel X13 – CH3COOH – CO2 – H2O were constructed and the corrosion behaviour of the steel was determined using these diagrams. The passivation of the steel may proceed due to the formation of iron chromite (FeCr2O4) phase layer and of iron oxalate (FeC2O4) polylayer.

scholarly journals Synthesis, In Silico Prediction and In Vitro Evaluation of Antimicrobial Activity, DFT Calculation and Theoretical Investigation of Novel Xanthines and Uracil Containing Imidazolone Derivatives

2021 ◽  
Vol 22 (20) ◽  
pp. 10979
Author(s):  
Samar El-Kalyoubi ◽  
Fatimah Agili ◽  
Wael A. Zordok ◽  
Ashraf S. A. El-Sayed
Keyword(s):  
Acetic Acid ◽  
Theoretical Investigation ◽  
Polyketide Synthase ◽  
Dft Calculation ◽  
Acyl Carrier Protein ◽  
Docking Study ◽  
Antibacterial Activities ◽  
Protein Domain ◽  
Type I

Novel xanthine and imidazolone derivatives were synthesized based on oxazolone derivatives 2a-c as a key intermediate. The corresponding xanthine 3-5 and imidazolone derivatives 6-13 were obtained via reaction of oxazolone derivative 2a-c with 5,6-diaminouracils 1a-e under various conditions. Xanthine compounds 3-5 were obtained by cyclocondensation of 5,6-diaminouracils 1a-c with different oxazolones in glacial acetic acid. Moreover, 5, 6-diaminouracils 1a-e were reacted with oxazolones 2a-c in presence of drops of acetic acid under fused condition yielding the imidazolone derivatives 6-13. Furthermore, Schiff base of compounds 14-16 were obtained by condensing 5, 6-diaminouracils 1a,b,e with 4-dimethylaminobenzaldehyde in acetic acid. The structural identity of the resulting compounds was resolved by IR, 1H-, 13C-NMR and Mass spectral analyses. The novel synthesized compounds were screened for their antifungal and antibacterial activities. Compounds 3, 6, 13 and 16 displayed the highest activity against Escherichia coli as revealed from the IC50 values (1.8–1.9 µg/mL). The compound 16 displayed a significant antifungal activity against Candia albicans (0.82 µg/mL), Aspergillus flavus (1.2 µg/mL) comparing to authentic antibiotics. From the TEM microgram, the compounds 3, 12, 13 and 16 exhibited a strong deformation to the cellular entities, by interfering with the cell membrane components, causing cytosol leakage, cellular shrinkage and irregularity to the cell shape. In addition, docking study for the most promising antimicrobial tested compounds depicted high binding affinity against acyl carrier protein domain from a fungal type I polyketide synthase (ACP), and Baumannii penicillin- binding protein (PBP). Moreover, compound 12 showed high drug- likeness, and excellent pharmacokinetics, which needs to be in focus for further antimicrobial drug development. The most promising antimicrobial compounds underwent theoretical investigation using DFT calculation.

Ectodesmata as Revealed By Freeze-Etch Preparations of Plant Epidermal Cell Walls

1973 ◽  
Vol 31 ◽  
pp. 468-469
Author(s):  
N.C. Lyon ◽  
W. C. Mueller
Keyword(s):  
Electron Microscopy ◽  
Acetic Acid ◽  
Nitric Acid ◽  
Oxalic Acid ◽  
Light Microscopy ◽  
Epidermal Cell ◽  
Cell Walls ◽  
Plant Viruses ◽  
Plant Leaves ◽  
Thin Sections

Schumacher and Halbsguth first demonstrated ectodesmata as pores or channels in the epidermal cell walls in haustoria of Cuscuta odorata L. by light microscopy in tissues fixed in a sublimate fixative (30% ethyl alcohol, 30 ml:glacial acetic acid, 10 ml: 65% nitric acid, 1 ml: 40% formaldehyde, 5 ml: oxalic acid, 2 g: mecuric chloride to saturation 2-3 g). Other workers have published electron micrographs of structures transversing the outer epidermal cell in thin sections of plant leaves that have been interpreted as ectodesmata. Such structures are evident following treatment with Hg++ or Ag+ salts and are only rarely observed by electron microscopy. If ectodesmata exist without such treatment, and are not artefacts, they would afford natural pathways of entry for applied foliar solutions and plant viruses.

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