Pub Date : 2023-07-14DOI: 10.2174/2666145417666230714124542
Anupama Prakash, Vanya Garg, Ashish Arora
Various human actions have raised the level of heavy metal (HM) pollution in the environment. From contaminated water and soil, the HMs infiltrate into the agricultural crops that are consumed by animals as well humans. Deposition of heavy metals leads to DNA damage and several digestive, reproductive, and respiratory system-related health problems. Various microorganisms have evolved mechanisms of HM resistance, tolerance, detoxification, and metabolization. Physicochemical methods of HM treatment are expensive and non-ecofriendly. Therefore, remediation of contaminated soil and water using microorganisms or bioremediation has become a topic of interest for scientists. Bioremediation is a cheaper, eco-friendly and more efficient method. The present review attempts to describe various mechanisms (biosorption, bioaccumulation, biotransformation and active export) by which microbes resist and remediate heavy metal pollution. In addition, the role of different types of consortia/co-culture in bioremediation has been discussed. Microbes, such as fungi, bacteria, and protozoa can remove metals both singly and in amalgamation. Furthermore, an advanced nanotechnology approach for metal ion treatment from wastewater has been briefly discussed. To fully utilize the microbial potential for heavy metal removal and create better strategies to alleviate environmental pollution, a deeper knowledge of the molecular, biochemical, and genetic mechanisms used by these species is required.
{"title":"A Review on Bioremediation Using Nanobiotechnology and Microbial Heavy Metal Resistance Mechanisms","authors":"Anupama Prakash, Vanya Garg, Ashish Arora","doi":"10.2174/2666145417666230714124542","DOIUrl":"https://doi.org/10.2174/2666145417666230714124542","url":null,"abstract":"\u0000\u0000Various human actions have raised the level of heavy metal (HM) pollution in the environment. From contaminated water and soil, the HMs infiltrate into the agricultural crops that are consumed by animals as well humans. Deposition of heavy metals leads to DNA damage and several digestive, reproductive, and respiratory system-related health problems. Various microorganisms have evolved mechanisms of HM resistance, tolerance, detoxification, and metabolization. Physicochemical methods of HM treatment are expensive and non-ecofriendly. Therefore, remediation of contaminated soil and water using microorganisms or bioremediation has become a topic of interest for scientists. Bioremediation is a cheaper, eco-friendly and more efficient method. The present review attempts to describe various mechanisms (biosorption, bioaccumulation, biotransformation and active export) by which microbes resist and remediate heavy metal pollution. In addition, the role of different types of consortia/co-culture in bioremediation has been discussed. Microbes, such as fungi, bacteria, and protozoa can remove metals both singly and in amalgamation. Furthermore, an advanced nanotechnology approach for metal ion treatment from wastewater has been briefly discussed. To fully utilize the microbial potential for heavy metal removal and create better strategies to alleviate environmental pollution, a deeper knowledge of the molecular, biochemical, and genetic mechanisms used by these species is required.\u0000","PeriodicalId":36699,"journal":{"name":"Current Materials Science","volume":"59 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87020129","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-07-12DOI: 10.2174/2666145417666230712122748
D. Amalnerkar, Jayant R. Pawar, R. Phatak, Nilam Qureshi, A. E. Singh, M. Shinde, Jaehyeok Doh
The demand for innovative solutions has arisen from the inevitability of improved packaging systems to protect processed food from various factors that cause spoilage. Traditional food packaging materials have limitations in fulfilling all the requirements of consumers, such as being inert, cheap, lightweight, easily degradable, reusable, and resistant to physical abuse. Nanofillers incorporated in the polymer matrix can provide potential solutions to these challenges. This review paper deliberates the use of nanofillers in a polymer matrix to develop an active and intelligent polymer nanocomposites-based processed food packaging system. The present review article focuses on the properties of nanofillers and their potential benefits when incorporated into the polymer matrix. It also examines the challenges associated with developing such packaging systems and explores the ways to address them. It highlights the potential of nanofiller-based polymer nanocomposites in developing a novel food packaging system that can improve the shelf-life and quality of processed food. Such systems can protect food from dirt or dust, oxygen, light, moisture, and food-spoiling microorganisms. Incorporating nanofillers can provide a viable solution to these problems. Most importantly, this paper provides research insights into the potential benefits of nanofillers-based polymer nanocomposites and their applications in the food packaging industry. The verdicts of this review will be of interest to the food packaging industry, entrepreneurs and researchers interested in developing sustainable and innovative packaging systems.
{"title":"Contemporary Trends In Active And Intelligent (Polymer) Nanocomposite-Based Food Packaging Systems For Food Safety And Sustainability In The Modern Aeon","authors":"D. Amalnerkar, Jayant R. Pawar, R. Phatak, Nilam Qureshi, A. E. Singh, M. Shinde, Jaehyeok Doh","doi":"10.2174/2666145417666230712122748","DOIUrl":"https://doi.org/10.2174/2666145417666230712122748","url":null,"abstract":"\u0000\u0000The demand for innovative solutions has arisen from the inevitability of improved packaging systems to protect processed food from various factors that cause spoilage. Traditional food packaging materials have limitations in fulfilling all the requirements of consumers, such as being inert, cheap, lightweight, easily degradable, reusable, and resistant to physical abuse. Nanofillers incorporated in the polymer matrix can provide potential solutions to these challenges. This review paper deliberates the use of nanofillers in a polymer matrix to develop an active and intelligent polymer nanocomposites-based processed food packaging system. The present review article focuses on the properties of nanofillers and their potential benefits when incorporated into the polymer matrix. It also examines the challenges associated with developing such packaging systems and explores the ways to address them. It highlights the potential of nanofiller-based polymer nanocomposites in developing a novel food packaging system that can improve the shelf-life and quality of processed food. Such systems can protect food from dirt or dust, oxygen, light, moisture, and food-spoiling microorganisms. Incorporating nanofillers can provide a viable solution to these problems. Most importantly, this paper provides research insights into the potential benefits of nanofillers-based polymer nanocomposites and their applications in the food packaging industry. The verdicts of this review will be of interest to the food packaging industry, entrepreneurs and researchers interested in developing sustainable and innovative packaging systems.\u0000","PeriodicalId":36699,"journal":{"name":"Current Materials Science","volume":"64 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85607146","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-07-10DOI: 10.2174/2666145417666230710165247
Meet A. Jayswal, P. Ahlawat, Ashaben D. Patel
The largest organ of the human body, the skin, shields the body from the outside environment. Despite having a great capacity for regeneration, major skin abnormalities cannot heal on their own and must be covered with artificial skin. In recent years, significant advancements have been achieved in the area of skin tissue engineering to create novel skin replacements. Because of their porous as well as moisturized polymeric structural composition, hydrogels are one of the choices with the greatest ability to imitate the natural skin microenvironment. Naturally derived polymers, synthesized polymers, polymerizable synthetic monomolecules, as well as mixtures of natural and synthesized polymers, can all be used to create hydrogels. They can be used to assist in the regeneration as well as repair of the wounded dermis, epidermis or else both by dressing various wounds permanently or temporarily. Hydrogels possess distinct properties like lightweight, stretchable, biocompatible, and biodegradable; they have the potential to be incorporated as flexible solutions for the care of chronic wounds. Additionally, these characteristics make hydrogels appropriate for use in the pharmaceutical and medical industries. Physical, chemical, and hybrid bonding are all involved in the creation of hydrogels. Several processes, including solution casting, solution mixing, bulk crosslinking polymerization, the free radical mechanism, radiation therapy, and the development of interpenetrating networks, are used to create the bonding. This review primarily focuses on the type of wounds with phases in wound healing and the many kinds of hydrogels based on cross-linking, ionic charge, physical properties, source etc., and it also describes potential fabrication techniques for hydrogel design in biomedical applications, drug delivery as well as wound management hydrogel systems. Hydrogel-based systems for wound recovery and management are described, as well as current research & future prospective of hydrogel-based drug delivery systems in wound healing for topical applications.
{"title":"Review On Hydrogel Based Systems And Their Use In Drug Delivery For Wound Healing & Wound Management","authors":"Meet A. Jayswal, P. Ahlawat, Ashaben D. Patel","doi":"10.2174/2666145417666230710165247","DOIUrl":"https://doi.org/10.2174/2666145417666230710165247","url":null,"abstract":"\u0000\u0000The largest organ of the human body, the skin, shields the body from the outside environment. Despite having a great capacity for regeneration, major skin abnormalities cannot heal on their own and must be covered with artificial skin. In recent years, significant advancements have been achieved in the area of skin tissue engineering to create novel skin replacements. Because of their porous as well as moisturized polymeric structural composition, hydrogels are one of the choices with the greatest ability to imitate the natural skin microenvironment. Naturally derived polymers, synthesized polymers, polymerizable synthetic monomolecules, as well as mixtures of natural and synthesized polymers, can all be used to create hydrogels. They can be used to assist in the regeneration as well as repair of the wounded dermis, epidermis or else both by dressing various wounds permanently or temporarily. Hydrogels possess distinct properties like lightweight, stretchable, biocompatible, and biodegradable; they have the potential to be incorporated as flexible solutions for the care of chronic wounds. Additionally, these characteristics make hydrogels appropriate for use in the pharmaceutical and medical industries. Physical, chemical, and hybrid bonding are all involved in the creation of hydrogels. Several processes, including solution casting, solution mixing, bulk crosslinking polymerization, the free radical mechanism, radiation therapy, and the development of interpenetrating networks, are used to create the bonding. This review primarily focuses on the type of wounds with phases in wound healing and the many kinds of hydrogels based on cross-linking, ionic charge, physical properties, source etc., and it also describes potential fabrication techniques for hydrogel design in biomedical applications, drug delivery as well as wound management hydrogel systems. Hydrogel-based systems for wound recovery and management are described, as well as current research & future prospective of hydrogel-based drug delivery systems in wound healing for topical applications.\u0000","PeriodicalId":36699,"journal":{"name":"Current Materials Science","volume":"15 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78825728","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-07-03DOI: 10.2174/2666145417666230703121238
Mingming Luan, B. Ma, Ping Yao
In recent years, inner grooved copper tubes, especially tubes with thin and high teeth, have been widely used in heat exchange plates due to their excellent heat transfer enhancement. In this paper, the tensile test and finite element analysis have been used to study the stress and strain of eco-green copper tubes of different sizes in the drawing process and the metal morphology after a fracture. The results show that copper tubes are most easily broken where the force is greatest. When the copper tube is broken, the tooth breaks before the tube wall, and the tooth shape is slightly distorted. In the process of fracture, the tooth tip is seriously damaged due to stress concentration, or even crack, resulting in an extremely irregular tooth tip shape. The fracture becomes a weak place in the copper tube due to defects. This paper provides useful guidance for more accurate control of the eco-green copper tube drawing process in the future.
{"title":"Study on the Effect of Geometry on Drawing Forming of Inner Grooved Copper Tube","authors":"Mingming Luan, B. Ma, Ping Yao","doi":"10.2174/2666145417666230703121238","DOIUrl":"https://doi.org/10.2174/2666145417666230703121238","url":null,"abstract":"\u0000\u0000In recent years, inner grooved copper tubes, especially tubes with thin and high teeth, have been widely used in heat exchange plates due to their excellent heat transfer enhancement.\u0000\u0000\u0000\u0000In this paper, the tensile test and finite element analysis have been used to study the stress and strain of eco-green copper tubes of different sizes in the drawing process and the metal morphology after a fracture.\u0000\u0000\u0000\u0000The results show that copper tubes are most easily broken where the force is greatest.\u0000\u0000\u0000\u0000When the copper tube is broken, the tooth breaks before the tube wall, and the tooth shape is slightly distorted. In the process of fracture, the tooth tip is seriously damaged due to stress concentration, or even crack, resulting in an extremely irregular tooth tip shape. The fracture becomes a weak place in the copper tube due to defects. This paper provides useful guidance for more accurate control of the eco-green copper tube drawing process in the future.\u0000","PeriodicalId":36699,"journal":{"name":"Current Materials Science","volume":"128 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83250676","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-07-03DOI: 10.2174/2666145416666230517164939
M. Bajad
In cement-based composites, carbon nanotubes (CNTs) and carbon nano fibres (CNFs) can act as crack bridging, delaying the development of nano fractures into microcracks. Recent research on the use of CNTs and CNFs in cement-based composites was reviewed in this paper. Earlier studies have demonstrated that cement-based composites reinforced with CNTs/CNFs have lower porosities and superior mechanical properties to plain cement-based composites. Using CNTs or CNFs in cement-based composites presents challenges due to their low matrix dispersion and weak interfacial contact. Some projected future investigations were indicated. Earlier studies have demonstrated that cement-based composites reinforced with CNTs/CNFs have lower porosities and superior mechanical properties to plain cement-based composites. Using CNTs or CNFs in cement-based composites presents challenges due to their low matrix dispersion and weak interfacial contact . some projected future investigations were indicated.
{"title":"Cement-Based Composites Containing Carbon Nanofibers and Carbon Nanotubes","authors":"M. Bajad","doi":"10.2174/2666145416666230517164939","DOIUrl":"https://doi.org/10.2174/2666145416666230517164939","url":null,"abstract":"\u0000\u0000In cement-based composites, carbon nanotubes (CNTs) and carbon nano fibres\u0000(CNFs) can act as crack bridging, delaying the development of nano fractures into microcracks.\u0000Recent research on the use of CNTs and CNFs in cement-based composites was reviewed in\u0000this paper. Earlier studies have demonstrated that cement-based composites reinforced with\u0000CNTs/CNFs have lower porosities and superior mechanical properties to plain cement-based\u0000composites. Using CNTs or CNFs in cement-based composites presents challenges due to their\u0000low matrix dispersion and weak interfacial contact. Some projected future investigations were\u0000indicated.\u0000\u0000\u0000\u0000Earlier studies have demonstrated that cement-based composites reinforced with CNTs/CNFs have lower porosities and superior mechanical properties to plain cement-based composites. Using CNTs or CNFs in cement-based composites presents challenges due to their low matrix dispersion and weak interfacial contact\u0000.\u0000\u0000\u0000\u0000some projected future investigations were indicated.\u0000","PeriodicalId":36699,"journal":{"name":"Current Materials Science","volume":"34 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85407326","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-07-01DOI: 10.2174/2666145417666230701000240
Farrah Mathura, R. Maharaj
Non-wood plant parts provide unique opportunities for cellulose for paper manufacture and offer advantages over wood, such as less harsh chemicals and lower lignin content. This review examined several cellulose extraction procedures from non-wood sources, such as leaves, stems, grass, straw, fruit peels, and husks. Acid and alkali extraction, oxidation, and bleaching were the main techniques used. Corresponding mechanical properties of cellulose derivatives were also reviewed, with tensile strength being the most reported property, with variability among the species and products. Additives were also explored to improve the properties of non-wood paper. Further processing of cellulose into nanocrystalline cellulose enabled the manufacture of biodegradable composites with a wide range of utilities in wastewater treatment, reinforcing materials, alternatives to plastics and circuit boards for nanotechnology applications. Various methods now available for cellulose extraction provide scientists with several efficient options for different plant materials with beneficial properties. Non-wood cellulose has found its uses in several industries, but further research may consolidate these attempts.
{"title":"Non-wood Plants as Sources of Cellulose for Paper and Biodegradable Composite Materials: An Updated Review","authors":"Farrah Mathura, R. Maharaj","doi":"10.2174/2666145417666230701000240","DOIUrl":"https://doi.org/10.2174/2666145417666230701000240","url":null,"abstract":"\u0000\u0000Non-wood plant parts provide unique opportunities for cellulose for paper manufacture and offer advantages over wood, such as less harsh chemicals and lower lignin content.\u0000\u0000\u0000\u0000This review examined several cellulose extraction procedures from non-wood sources, such as leaves, stems, grass, straw, fruit peels, and husks.\u0000\u0000\u0000\u0000Acid and alkali extraction, oxidation, and bleaching were the main techniques used. Corresponding mechanical properties of cellulose derivatives were also reviewed, with tensile strength being the most reported property, with variability among the species and products. Additives were also explored to improve the properties of non-wood paper.\u0000\u0000\u0000\u0000Further processing of cellulose into nanocrystalline cellulose enabled the manufacture of biodegradable composites with a wide range of utilities in wastewater treatment, reinforcing materials, alternatives to plastics and circuit boards for nanotechnology applications. Various methods now available for cellulose extraction provide scientists with several efficient options for different plant materials with beneficial properties.\u0000\u0000\u0000\u0000Non-wood cellulose has found its uses in several industries, but further research may consolidate these attempts.\u0000","PeriodicalId":36699,"journal":{"name":"Current Materials Science","volume":"81 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78739873","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-06-09DOI: 10.2174/2666145416666230609144101
M. Pachamuthu, P. Karthikeyan, K. Kalaiselvi
The main key input variables to this optimization technique for constructing incomplete block designs are using bipartite and spanning subgraphs through numerical examples of vehicle fuel consumption and emissions. The theory of graphs plays a significant role in mathematical sciences and engineering technologies. In addition, the graph models many relations and processes in physical, biological, social, and information systems. The construction methods using Partially Incomplete Block Designs (PBIBD) with differential equations through bipartite and spanning subgraphs that predict hot stabilized vehicle fuel consumption and emission rates for different drivers using different cars are studied in this paper. The other modelling of fuel consumption and emissions have appeared as an essential tool, which helps to develop and measure vehicle techniques and to help estimate vehicle fuel consumption and emissions. This paper aims to develop an optimization technique for the construction method for incomplete block designs LSD with PBIBD(2) through vehicle fuel consumption and emissions. An incomplete block design can be constructed using LSD statistical analysis with bipartite and spanning subgraphs. First, the method for the construction of LSD using bipartite graphs. The second method for the construction of PBIBD(m) using spanning subgraphs. The two construction methods are through numerical examples of an oil company testing five mixings of petrol for fuel efficiency and emission according to the variability of five drivers and five models of cars. The inference of the first model of PBIBD(2) using LSD F-value of 0.08 implies the model is not significant (P-values greater than 0.05). The second model has no significant difference between petrol fuel efficiency and emissions. In the third model, there is no significant difference in fuel efficiency between different cars of petrol bunks. Finally, it is concluded that the response variable is represented above the maximum quality scores from our fourth driver using a second car to the fourth petrol bunk in fuel efficiency.
{"title":"An Optimisation Technique with the Method of Construction for Vehicle Fuel Consumption and Emissions Using Incomplete Block Designs with Some Special Types of Graphs","authors":"M. Pachamuthu, P. Karthikeyan, K. Kalaiselvi","doi":"10.2174/2666145416666230609144101","DOIUrl":"https://doi.org/10.2174/2666145416666230609144101","url":null,"abstract":"\u0000\u0000The main key input variables to this optimization technique for constructing incomplete block designs are using bipartite and spanning subgraphs through numerical examples of vehicle fuel consumption and emissions. The theory of graphs plays a significant role in mathematical sciences and engineering technologies. In addition, the graph models many relations and processes in physical, biological, social, and information systems.\u0000\u0000\u0000\u0000The construction methods using Partially Incomplete Block Designs (PBIBD) with differential equations through bipartite and spanning subgraphs that predict hot stabilized vehicle fuel consumption and emission rates for different drivers using different cars are studied in this paper. The other modelling of fuel consumption and emissions have appeared as an essential tool, which helps to develop and measure vehicle techniques and to help estimate vehicle fuel consumption and emissions. This paper aims to develop an optimization technique for the construction method for incomplete block designs LSD with PBIBD(2) through vehicle fuel consumption and emissions.\u0000\u0000\u0000\u0000An incomplete block design can be constructed using LSD statistical analysis with bipartite and spanning subgraphs. First, the method for the construction of LSD using bipartite graphs. The second method for the construction of PBIBD(m) using spanning subgraphs. The two construction methods are through numerical examples of an oil company testing five mixings of petrol for fuel efficiency and emission according to the variability of five drivers and five models of cars.\u0000\u0000\u0000\u0000The inference of the first model of PBIBD(2) using LSD F-value of 0.08 implies the model is not significant (P-values greater than 0.05). The second model has no significant difference between petrol fuel efficiency and emissions. In the third model, there is no significant difference in fuel efficiency between different cars of petrol bunks.\u0000\u0000\u0000\u0000Finally, it is concluded that the response variable is represented above the maximum quality scores from our fourth driver using a second car to the fourth petrol bunk in fuel efficiency.\u0000","PeriodicalId":36699,"journal":{"name":"Current Materials Science","volume":"9 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77978387","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-06-08DOI: 10.2174/2666145416666230608155528
D. Gupta, Obeidullah Khan, Bharti Garg, Shyamal Kumar Kundu, A. Bhattacharjee
The compound was analyzed for its thermochemical, charge distribution, electrical, nonlinear optical, atomic force, and atomic orientations. Different ab-initio methods and their combinations (ONIOM1 and ONIOM2) were used for quantum mechanical simulations and identification of the compound. For 5OB, a detailed vibrational analysis of 5OB was performed. The compound is found to be highly active due to electronegative Nitrogen and the highly resonating structure of benzimidazole. Its significant optical nonlinearity was proved by sizeable static hyperpolarizability. From APT analysis, we found that there is a difference in the results given by ONIOM and DFT while the results shown by the two ONIOM methods gave almost similar distribution patterns. By performing NLO, ONIOM 2 is found to be better than ONIOM 1. After the analysis, we found that computationally cheaper ONIOM 2 is compatible with DFT for the 5OB compound.
{"title":"Ab-initio investigation of 5-methoxybenzimidazole compound","authors":"D. Gupta, Obeidullah Khan, Bharti Garg, Shyamal Kumar Kundu, A. Bhattacharjee","doi":"10.2174/2666145416666230608155528","DOIUrl":"https://doi.org/10.2174/2666145416666230608155528","url":null,"abstract":"\u0000\u0000The compound was analyzed for its thermochemical, charge distribution, electrical, nonlinear optical, atomic force, and atomic orientations. Different ab-initio methods and their combinations (ONIOM1 and ONIOM2) were used for quantum mechanical simulations and identification of the compound.\u0000\u0000\u0000\u0000For 5OB, a detailed vibrational analysis of 5OB was performed. The compound is found to be highly active due to electronegative Nitrogen and the highly resonating structure of benzimidazole. Its significant optical nonlinearity was proved by sizeable static hyperpolarizability. From APT analysis, we found that there is a difference in the results given by ONIOM and DFT while the results shown by the two ONIOM methods gave almost similar distribution patterns. By performing NLO, ONIOM 2 is found to be better than ONIOM 1.\u0000\u0000\u0000\u0000After the analysis, we found that computationally cheaper ONIOM 2 is compatible with DFT for the 5OB compound.\u0000","PeriodicalId":36699,"journal":{"name":"Current Materials Science","volume":"254 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76329265","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-05-19DOI: 10.2174/2666145416666230519111414
J. Naik, S. Jagadeesh, P. S. Babu, S. M. Naidu, P. Muruganandhan, S. Lionel Beneston
Electronic packaging makes use of hybrid A356 aluminium alloy MMCs (matrix metal composites). Enhanced endurance limit, increased production and energy, low maintenance cost, and benefits to the environment, such as reduced noise and airborne pollutants, are among the features that are recommended to be evaluated. This study aimed to analyze the thermal properties of A356 aluminium alloy with graphite (Gr) and boron carbide (B4C) hybrid metal matrix composites. For this purpose, the A356 hybrid composite was primed by the stir casting process with the addition of 5 wt % and 10 wt % of Gr and B4C reinforcements. In general, A356 hybrid composite material thermal analysis is crucial for electrical equipment. The liquid-in-filtration method was used to create the hybrid composites, which were then tested thermally for parameters, like melting point, thermal diffusivity, and thermal coefficient of expansion. The thermocouple sensor of a calorimeter was used to examine the disparity in the composites. A thermal analysis tool called TGA was used to visually represent the relationship between a material's weight and temperature. The temperature was found to be 300oC at the 0.411 W/g maximum heat flow rate. Thermal conductivity is the ratio of the temperature difference divided by the area of the heat transfer from one substance to another. The thermal coefficient of expansion illustrates how a material's dimensions and weight change as temperature increases. The proportion of the weight of the hybrid composites was found to fall with a rise in the temperature. The melting point curve of the composites demonstrated a little increase in temperature to be accompanied by a sharp increase in heat flow.
{"title":"Fabrication and Thermal Analysis of Hybrid A356 Aluminium Metal \u0000Matrix Composites Prepared by Stir Casting Process","authors":"J. Naik, S. Jagadeesh, P. S. Babu, S. M. Naidu, P. Muruganandhan, S. Lionel Beneston","doi":"10.2174/2666145416666230519111414","DOIUrl":"https://doi.org/10.2174/2666145416666230519111414","url":null,"abstract":"\u0000\u0000Electronic packaging makes use of hybrid A356 aluminium alloy MMCs (matrix metal composites). Enhanced endurance limit, increased production and energy, low maintenance cost, and benefits to the environment, such as reduced noise and airborne pollutants, are among the features that are recommended to be evaluated.\u0000\u0000\u0000\u0000This study aimed to analyze the thermal properties of A356 aluminium alloy with graphite (Gr) and boron carbide (B4C) hybrid metal matrix composites. For this purpose, the A356 hybrid composite was primed by the stir casting process with the addition of 5 wt % and 10 wt % of Gr and B4C reinforcements. In general, A356 hybrid composite material thermal analysis is crucial for electrical equipment.\u0000\u0000\u0000\u0000The liquid-in-filtration method was used to create the hybrid composites, which were then tested thermally for parameters, like melting point, thermal diffusivity, and thermal coefficient of expansion. The thermocouple sensor of a calorimeter was used to examine the disparity in the composites. A thermal analysis tool called TGA was used to visually represent the relationship between a material's weight and temperature.\u0000\u0000\u0000\u0000The temperature was found to be 300oC at the 0.411 W/g maximum heat flow rate. Thermal conductivity is the ratio of the temperature difference divided by the area of the heat transfer from one substance to another. The thermal coefficient of expansion illustrates how a material's dimensions and weight change as temperature increases.\u0000\u0000\u0000\u0000The proportion of the weight of the hybrid composites was found to fall with a rise in the temperature. The melting point curve of the composites demonstrated a little increase in temperature to be accompanied by a sharp increase in heat flow.\u0000","PeriodicalId":36699,"journal":{"name":"Current Materials Science","volume":"12 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88337464","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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