Search results

The purpose of this study is to perform quantum chemical calculations based on the DFT method on four bipyrazoles used as corrosion inhibitors for the plain carbon (“mild”) steel in acid media to determine the relationship between inhibition efficiency and the molecular structure of inhibitors.

Several quantum chemical parameters, such as the charge distribution, energy and distribution of highest occupied molecular orbital and lowest unoccupied molecular orbital, the absolute electronegativity (χ) values and the fraction of electrons (△N) transferring from inhibitors to the steel surface, were calculated and correlated with inhibition efficiencies.

The results showed that the inhibition efficiency of bipyrazole increased with the increasing in EHOMO, and the areas containing N atoms were the most probable sites to donate electrons for adsorbing the inhibitor molecules onto the metal surface.

It is a useful method to investigate the mechanisms of reaction by calculating the structure and electronic parameters, which can be obtained by means of theoretical quantum theory. Thus, the behavior and mechanism of the organic inhibitors can be obtained. Quantum chemical method can also be used to guide the selection and molecular design of inhibitors.

This study aims to investigate the inhibition performance of an aqueous extract of Matricaria recutita chamomile on the corrosion of S235JR steel in 0.5 M NaCl by using electrochemical impedance spectroscopy (EIS) and polarization measurements.

The inhibition performance was investigated using EIS and polarization measurements. Surface analysis demonstrates the presence of a protective layer on the steel surface in the presence of the extract. Quantum chemical parameters calculated for the molecules contained in the aqueous extract are interpreted to predict the corrosion inhibition efficiency of the considered extract.

The inhibition efficiency of chamomile aqueous extract for S235JR steel increases with increasing amounts of plant concentration and with an increase in the immersion time. The optimal inhibition efficiency of chamomile extract, 98.90 per cent, was achieved for S235JR steel when immersed in 15 per cent v/v of extract concentration for 2 h. The surface analysis in the absence and presence of the chamomile extract confirmed the formation of a protective layer on steel surface. The quantum chemical calculations allowed to explain the great inhibition efficiency values by interpreting the calculated quantum parameters.

This is the first study carrying out an experimental and theoretical investigation on M. recutita chamomile as a green corrosion inhibitor, with interesting potential industrial applications.

The aim of this paper was to investigate the corrosion inhibition potential of two synthesized benzothiazines, namely, 3,4-dihydro-2-methoxycarbonylmethyl-3-oxo-2H-1,4-benzothiazine (1) and ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate (2) on mild steel corrosion in 1M H₂SO₄.

Corrosion inhibition efficiency (IE%) was studied by weight loss measurements, potentiodyanmic polarization method, alternating current (AC) impedance spectroscopy, fourier transform infrared (FT-IR) spectroscopy and scanning electron microscopy. Quantum chemical approach was used to complement the experimental results.

The results obtained show that the IE% increased with inhibitor concentration and follow the order 2 > 1, obeying Langmuir adsorption isotherm. The calculated quantum chemical indices were consistent with experimental results.

This paper provides information on the inhibitive properties of new set of benzothiazines on mild steel corrosion in 1M H₂SO₄.

Corrosion is a major concern for many industries that use metals as structural or functional materials, and the use of corrosion inhibitors is a widely accepted strategy to protect metals from deterioration in corrosive environments. Moreover, the toxic nature, non-biodegradability and price of most conventional corrosion inhibitors have encouraged the application of greener and more sustainable options, with natural and synthetic drugs being major actors. Hence, this paper aims to stress the capability of natural and synthetic drugs as manageable and sustainable, environmentally friendly solutions to the problem of metal corrosion.

In this review, the recent developments in the use of natural and synthetic drugs as corrosion inhibitors are explored in detail to highlight the key advancements and drawbacks towards the advantageous utilization of drugs as corrosion inhibitors.

Corrosion is a critical issue in numerous modern applications, and conventional strategies of corrosion inhibition include the use of toxic and environmentally harmful chemicals. As greener alternatives, natural compounds like plant extracts, essential oils and biopolymers, as well as synthetic drugs, are highlighted in this review. In addition, the advantages and disadvantages of these compounds, as well as their effectiveness in preventing corrosion, are discussed in the review.

This survey stresses on the most recent abilities of natural and synthetic drugs as viable and sustainable, environmentally friendly solutions to the problem of metal corrosion, thus expanding the general knowledge of green corrosion inhibitors.

Gold clusters supported on oxide surface are most promising as active sites as biochemical sensors, in optical industry and catalysis, but there is no information about application of these nanoparticles in analytical chemistry for the chromatographical separation of organic compounds. Thus, the aim of this paper is the development of new separation systems based on gold nanoparticles.

The novel nanohybride system based on gold nanoparticles, cysteine and inorganic matrixes was synthesis. The results were obtained by the combined approach consisting quantum‐chemical calculations, direct organic synthesis and using chromatography investigation of obtained sorbent for separation of aminopyridines.

The structure optimization of cysteine‐gold cluster complexes reveals that adsorbed acid greatly changes the structure of gold nanoparticle and, consequently, changes its properties. The most bond energy is calculated for L‐form 82 kcal/mol. Material based on alumina, modified gold nanoparticle with L‐cysteine was synthesized and capacity coefficients for model compounds majoring by chromatography technique were obtained.

The developed sorbent that consists of alumina, gold nanoparticle and organic ligand (L‐cysteine) can used in analytical chemistry for the chromatographical separation of aminopyridine. The material has same advantages: simple sorbent synthesis, stability and repeatability in separation experimental. The presented novel nanohybride system is protected by Russian patent.

The paper presents a successful application of nanogold for analytical separation of organic compounds, new knowledge about properties of gold in nanosized region and information about bonding sulfur with nanocluster's surfaces, obtained by model physical‐chemistry methods.

The effect of some organophosphorus compounds on iron corrosion in 6 M HCl has been examined by means of polarization and capacitance measurements. It appears that these compounds inhibit iron corrosion by affecting both cathodic and anodic reactions. A quantum chemical approach was used to correlate the inhibition efficiency to the molecular structure of the compounds. It was found that there is not a noticeable relationship between their molecular structure and their inhibition effectiveness. Also based on these calculations, it can be suggested that the inhibitor molecules behave as electron acceptor when they adsorb on the iron metal.

A highly selective cyanide phenoxazine-based fluorescence chemosensor POH was created to detect cyanide (CN) ions.

A malonitrile was added to a phenoxazine fluorophore to make this widely available chemosensor. By fluorescence spectroscopy, the sensor POH showed turn-off fluorescence emission for CN with 2:1 binding stoichiometry in CH₃CN/H₂O (90:10 v/v) medium.

The detection limits for CN were 9.8 × 10⁻⁹ M, which were much lower than WHO standards. NMR and FT-IR investigations backed up the suggested sensor POH mechanism.

The detection CN method should be applicable in a number of situations, where the CN anion for fresh water and drinking water has to be quickly and accurately analyzed.

The purpose of this paper is to determine the antioxidant activity of natural polyphenols from larch wood by the amperometric method.

Direct measurements of antioxidant activity were carried out by the amperometric method in an oxidizing mode with glassy carbon as a working electrode, set potential +1.3V and using a flow-injection system with 2.2 mM phosphoric acid as the mobile phase with a flow rate of 1.2 ml/min.

The reported results show the following values of antioxidant activity for the tested compounds: (−)-secoisolariciresinol – 0.199 ± 0.002 mg/L (p < 0.05); isolariciresinol – 0.196 ± 0.002 mg/L (p < 0.05); lariciresinol - 0.222 ± 0.001 mg/L (p < 0.05); O-isopropylidene derivative of (−)-secoisolariciresinol - 0.143 ± 0.002 mg/L (p < 0.05); (+)-dihydroquercetin – 0.153 ± 0.002 mg/L (p < 0.05); and quercetin – 0.521 ± 0.001 mg/L (p < 0.05). The last product was tested as the reference of a widely used current antioxidant. General tendencies of determined values of antioxidant activity for studied compounds are in good correlation with published data as determined by the t-BuOOH-initiated lipid peroxidation method.

Described results show practical applicability of the amperometric method as being faster and cheaper in comparison to other methods, including oxygen radical absorbance capacity (ORAC) assay or 2,2′diphenyl-1-picrylhydrazyl (DPPH) reagent based assay.

The described results show the first-time application of the amperometric method for the evaluation of the antioxidant activity of phenolic compounds from larch wood.

Briefly reviews previous literature by the author before presenting an original 12 step system integration protocol designed to ensure the success of companies or countries in their efforts to develop and market new products. Looks at the issues from different strategic levels such as corporate, international, military and economic. Presents 31 case studies, including the success of Japan in microchips to the failure of Xerox to sell its invention of the Alto personal computer 3 years before Apple: from the success in DNA and Superconductor research to the success of Sunbeam in inventing and marketing food processors: and from the daring invention and production of atomic energy for survival to the successes of sewing machine inventor Howe in co‐operating on patents to compete in markets. Includes 306 questions and answers in order to qualify concepts introduced.

Develops an original 12‐step management of technology protocol and applies it to 51 applications which range from Du Pont’s failure in Nylon to the Single Online Trade Exchange for Auto Parts procurement by GM, Ford, Daimler‐Chrysler and Renault‐Nissan. Provides many case studies with regards to the adoption of technology and describes seven chief technology officer characteristics. Discusses common errors when companies invest in technology and considers the probabilities of success. Provides 175 questions and answers to reinforce the concepts introduced. States that this substantial journal is aimed primarily at the present and potential chief technology officer to assist their survival and success in national and international markets.