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At present, research on the preparation of corrosion inhibitors using modified pyrimidine derivatives is still blank. The purpose of this study is to synthesize a new cationic mercaptopyrimidine derivative quaternary ammonium salt, known as DTEBTAC, that can be used as a corrosion inhibitor to slow down the metal corrosion problems encountered in oil and gas extraction processes.

A new corrosion inhibitor was synthesized by the reaction of anti-Markovnikov addition and nucleophilic substitution. The weight loss method was used to study the corrosion inhibition characteristics of synthetic corrosion inhibitors. Electrochemical and surface topography analyses were used to determine the type of inhibitor and the adsorption state formed on the surface of N80 steel. Molecular dynamics simulations and quantum chemistry calculations were used to investigate the synthetic corrosion inhibitor’s molecular structure and corrosion inhibition mechanisms.

The results of the weight loss method show that when the dosage of DTEBTAC is 1%, the corrosion rate of N80 steel in hydrochloric acid solution at 90? is 3.3325 g m-2 h-1. Electrochemical and surface morphology analysis show that DTEBTAC can form a protective layer on the surface of N80 steel, and is a hybrid corrosion inhibitor that can inhibit the main anode. Quantum chemical parameter calculation shows that DTEBTAC has a better corrosion inhibition effect than DTP. The molecular dynamics simulation results show that DTEBTAC has stronger binding energy than DTP, and forms a network packing structure through hydrogen bonding, and the adsorption stability is enhanced.

A novel cationic mercaptopyrimidine derivative quaternium-ammonium salt corrosion inhibitor was designed and provided. Compared with the prior art, the preparation method of the synthesized mercaptopyrimidine derivative quaternary ammonium salt corrosion inhibitor is simple, and the presence of nitrogen-positive ions, sulfur atoms and nitrogen-rich atoms has an obvious corrosion inhibition effect, which can be used to inhibit metal corrosion during oil and gas field exploitation. It not only expands the application field of new materials but also provides a new idea for the research and development of new corrosion inhibitors.

High-nitrogen steel is a common material for the manufacture of drilling equipment such as drill collars. However, its poor surface properties often limit its applications. The purpose of this paper is to find a way to enhance the surface performance of high-nitrogen steel, which is expected to improve the wear resistance of high-nitrogen steel.

The CoCrNi and CoCrFeNi medium-entropy alloy (MEA) coatings were prepared on high-nitrogen steel substrate by laser cladding technology. The microstructure, phase composition and element distribution of the fabricated coatings were investigated using scanning electronic microscopy, electron backscatter diffraction and X-ray diffraction. The phase structure, phase stability and structural stability of the CoCrNi and CoCrFeNi MEAs were investigated in combination with phase diagram calculation and molecular dynamics. Then the wear tests were carried out for coatings.

The results show that both prepared MEA coatings have good quality and contain a single face-centered cubic phase. The wear performance of MEA coatings is improved by the refinement of grain size and the increase of dislocation density. Due to the addition of Fe atoms, the lattice distortion of the CoCrFeNi system increased, resulting in a higher dislocation density of the coating. Cr atoms in the CoCrFeNi system are the largest, and the local lattice distortions induced by them are greater. Through this study, MEA coatings with high hardness can be expanded to drilling field applications.

CoCrFeNi and CoCrNi MEA coatings were successfully prepared on the surface of high-nitrogen steel for the first time without obvious defects. The micromorphology and grain orientation of the different kinds of coatings were discussed in detail. The hardness-strengthening mechanism and structure stability of the coatings were illustrated by experiments and molecular dynamics simulations.

The peer review history for this article is available at: https://publons.com/publon/10.1108/ILT-04-2024-0116/

Owing to the toxicity, biodegradability, and cost of most corrosion inhibitors, research attention is now focused on the development of environmentally benign, biodegradable, cheap, and efficient options. In consideration of these facts, chrysin, a phytocompound of Populus tomentosa (Chinese white poplar) has been isolated and investigated for its anticorrosion abilities on carbon steel in a mixed acid and chloride system. This highlights the main purpose of the study.

Chrysin was isolated from Populus tomentosa using column chromatography and characterized using Fourier Transform Infrared Spectroscopy and Nuclear Magnetic Resonance Spectroscopy. The investigations are outlined based on theory (Fukui indices, condensed density functional theory and molecular dynamic simulation) and experiments (electrochemical, gravimetry and surface morphology examinations).

Theoretical evaluations permitted the description of the adsorption characteristics, and molecular interactions and orientations of chrysin on Fe substrate. The interaction energy for protonated and neutral chrysin on Fe (110) were −149.10 kcal/mol and −143.28 kcal/mol, respectively. Moreover, experimental investigations showed that chrysin is a potent mixed-type corrosion inhibitor for steel, whose effectiveness depends on its surrounding temperature and concentration. The optimum inhibition efficiency of 78.7% after 24 h for 1 g/L chrysin at 298 K indicates that the performance of chrysin, as a pure compound, compares favorably with other phytocompounds and plant extracts investigated under similar conditions. However, the inhibition efficiency decreased to 62.5% and 51.8% at 318 K after 48 h and 72 h, respectively.

The novelty of this study relies on the usage of a pure compound in corrosion suppression investigation, thus eliminating the unknown influences obtainable by the presence of multi-phytocompounds in plant extracts, thereby advancing the commercialization of bio-based corrosion inhibitors.

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.

This study aims to describe the design and synthesis of two novel azo and imine chromophores-based dyes derived from two different aldehydes with intramolecular colour matching that are pH sensitive.

The visible absorption wavelength (λ_max) was extended when azo chromophore was included in imine-based systems. The dyed patterns created sophisticated colour-changing paper packaging sensors with pH-sensitive chromophores using alum as a mediator or mordant. Due to the tight adhesive bonding, the dyes on paper’s cellulose fibres could not be removed by ordinary water even at extremely high or low pH, which was confirmed by scanning electron microscopy analysis. The dyed patterns demonstrated an evident, sensitive and fast colour-changing mechanism with varying pH, from pale yellow to red for Dye-I and from pale yellow to brown-violet for Dye-II.

The λ_max for colour changing was recorded from 400 to 490 nm for Dye-I, whereas from 400 to 520 for Dye-II. The freshness judgement of food was checked using actual experiments with cooked crab spoilage, where the cooked crab was incubated at 37 ^oC for 6 h to see the noticeable colour change from yellow to brown-violet with Dye-II. The colour-changing mechanism was studied with Fourier transform infrared (FTIR) spectra at different pH, and thin layer chromatography, nuclear magnetic resonance and FTIR spectroscopy studied the desired structure formation of the dyes. Potential uses for smart packaging sensors include quickly detecting food freshness during transportation or right before consumption.

1. Two novel azo-imine dyes have been synthesized with a pH-responsive effect. 2. The pH-responsive mechanism was studied. 3. The study was supported by computational chemistry using density functional theory. 4. The obtained dyes were used to make pH-responsive sensors for seafood packaging to judge the freshness.

Mucorales has been described to be widely distributed during the most recent COVID-19 pandemic, with a greater frequency of disease in India, particularly among those with immune deficiencies. This study aims to use computational tools to develop a vaccine.

The authors investigated at Mucorales proteins that had previously been associated to virulence factors. Recent research suggests that a vaccine based on high-level cytotoxic T lymphocyte (CTL), helper T lymphocyte (HTL) and B-cell lymphocyte (BCL) epitopes from diverse proteins might be developed. Furthermore, the vaccine assembly contains the targeted epitopes as well as PADRE peptides to induce an immune response. Computational approaches were used to analyze the immunological parameters used to build the suggested vaccine and validate its TLR-3 binding.

These studies show that the vaccination is capable of triggering a particular immune response. The authors offer a technique for developing and evaluating candidate vaccines using computational tools. To the best of their knowledge, this is the first immunoinformatic research of a prospective mucormycosis vaccine.

During this audit, a successful attempt was made to create a subunit MEV against black fungus. In the current study, MEV has been proposed as a suitable neutralizer candidate since it is immunogenic, secure, stable and interacts with human receptors. A stream study, on the other hand, is produced via a mixed vaccinosis approach. Following that, vaccinologists may perform more exploratory testing to evaluate whether the vaccine is effective.

The purpose of the research is to recognize and rank the barriers preventing Industry 4.0 (I4.0) adoption in Bangladesh’s food and beverage industries. It aims to highlight the major difficulties the sector is currently facing and offer a hierarchical framework for evaluating these barriers.

An exhaustive literature review was conducted along with expert interviews with academics and industry professionals to identify and assess the barriers. The interpretive structural modeling and Matrice d'Impacts Croisés Multiplication Appliquée à un Classement (ISM-MICMAC) approach was used to classify the identified barriers based on driving and dependent power and understand the interrelationships among them.

A total of 20 barriers to I4.0 adoption in the food and beverage sector of Bangladesh were identified. The top tier of significant barriers includes “Financial constraints,” “Lack of management support,” “Lack of research and development team,” “Lack of adequate skills in the workforce,” “Lack of digital strategy alongside resource scarcity” and “Employee resistance to change.”.

The created hierarchical framework offers a useful tool for dealing with the noted barriers and assisting with the successful adoption of I4.0 in the food and beverage sector. Businesses can overcome financial constraints by allocating enough resources and obtaining management support. By creating a focused research and development team and giving the workforce the necessary training, the lack of knowledge and skills can be overcome. By developing a thorough digital strategy and making sure that the necessary resources are available, resource scarcity can be overcome. Furthermore, effective change management methods can support the adoption of I4.0 technologies by overcoming employee resistance to change.

By concentrating specifically on the difficulties encountered by the food and beverage industries in Bangladesh as it attempts to adopt I4.0, this study contributes to the body of existing literature. The study’s originality lies in its thorough analysis of barriers and the use of the ISM-MICMAC approach to comprehend how these barriers interact with one another.

This paper aims to investigate the moisture diffusion behavior in a system-in-package module systematically by moisture-thermalmechanical-coupled finite element modeling with different structure parameters under increasingly harsh environment.

A finite element model for a system-in-package module was built with moisture-thermal-mechanical-coupled effects to study the subsequences of hygrothermal conditions.

It was found in this paper that the moisture diffusion path was mainly dominated by hygrothermal conditions, though structure parameters can affect the moisture distribution. At lower temperatures (30°C~85°C), the direction of moisture diffusion was from the periphery to the center of the module, which was commonly found in simulations and literatures. However, at relatively higher temperatures (125°C~220°C), the diffusion was from printed circuit board (PCB) to EMC due to the concentration gradient from PCB to EMC across the EMC/PCB interface. It was also found that there exists a critical thickness for EMC and PCB during the moisture diffusion. When the thickness of EMC or PCB increased to a certain value, the diffusion of moisture reached a stable state, and the concentration on the die surface in the packaging module hardly changed. A quantified correlation between the moisture diffusion coefficient and the critical thickness was then proposed for structure parameter optimization in the design of system-in-package module.

The different moisture diffusion behaviors at low and high temperatures have seldom been reported before. This work can facilitate the understanding of moisture diffusion within a package and offer some methods about minimizing its effect by design optimization.

Hexavalent chromium has been a benchmark corrosion inhibitor before it was phased out because of its carcinogenic properties. However, because it was phased out, many alternative corrosion inhibitors have been introduced but failed to meet the performance of this benchmark inhibitor. Consequently, benzotriazole (BTA) was reported to exhibit chromate-like inhibition performance. Subsequently, Intelli-ion was reported by researchers to exhibit chromate-like performance also with claims of being a unique alternative. This paper aims to review the inhibition performance of these two alternatives. Above all, promotes the unique inhibition performance of Intelli-ion that makes it suitable for application in many sectors.

In this paper, the corrosion inhibition performances of BTA and Intelli-ion were compared systematically by reviewing some related literatures based on the opinion of the authors.

Different methodologies for measuring the inhibition performance of BTA showed that it’s an inhibitor of choice. However, the cut edge corrosion performance of Intelli-ion and BTA corrosion inhibitors on galvanized steel of 55% Wt.% Al, 44% Wt.% Zn and 1% Wt.% Si in 5 Wt.% NaCl solution was compared when subjected to scanning vibrating electrode technique (SVET) for 24 h. The results showed faint blue-colored region depicting negative cathodic current density for the Intelli-ion while there was a high-intensity of red-colored region depicting a positive anodic current density for BTA. In other words, the Intelli-ion inhibitor had a better overall cut-edge corrosion inhibition performance than the BTA inhibitor.

This paper compares and further, summarizes the corrosion inhibition performance of Intelli-ion and BTA by evaluating SVET results from the literature. In addition, it serves as an overview and reference for the unique inhibition performance of Intelli-ion when applied in field applications.

This study aims to investigate the micro mechanism of macro rheological characteristics for composite modified asphalt.Grey relational analysis (GRA) was used to analyze the correlation between macro rheological indexes and micro infrared spectroscopy indexes.

First, a dynamic shear rheometer and a bending beam rheometer were used to obtain the evaluation indexes of high- and low-temperature rheological characteristics for asphalt (virgin, SBS/styrene butadiene rubber [SBR], SBS/rubber and SBR/rubber) respectively, and its variation rules were analyzed. Subsequently, the infrared spectroscopy test was used to obtain the micro rheological characteristics of asphalt, which were qualitatively and quantitatively analyzed, and its variation rules were analyzed. Finally, with the help of GRA, the macro-micro evaluation indexes were correlated, and the improvement efficiency of composite modifiers on asphalt was explored from rheological characteristics.

It was found that the deformation resistance and aging resistance of SBS/rubber composite modified asphalt are relatively good, and the modification effect of composite modifier and virgin asphalt is realized through physical combination, and the rheological characteristics change with the accumulation of functional groups. The correlation between macro rutting factor and micro functional group index is high, and the relationship between macro Burgers model parameters and micro functional group index is also close.

Results reveal the basic principle of inherent-improved synergistic effect for composite modifiers on asphalt and provide a theoretical basis for improving the composite modified asphalt.