Asian Journal of Applied Chemistry Research最新文献

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Synthesis of Novel Perovskite-organic Hybrid Materials for High-efficiency Photovoltaic Devices 合成用于高效光伏设备的新型过氧化物有机杂化材料
Asian Journal of Applied Chemistry Research Pub Date : 2024-08-10 DOI: 10.9734/ajacr/2024/v15i5299
Chinaecherem Tochukwu Arum, Simon Bbumba, Moses Kigozi, Ibrahim Karume, Maximillian Kato, H. K. Nsamba, Ivan Kiganda, Muhammad Ntale
{"title":"Synthesis of Novel Perovskite-organic Hybrid Materials for High-efficiency Photovoltaic Devices","authors":"Chinaecherem Tochukwu Arum, Simon Bbumba, Moses Kigozi, Ibrahim Karume, Maximillian Kato, H. K. Nsamba, Ivan Kiganda, Muhammad Ntale","doi":"10.9734/ajacr/2024/v15i5299","DOIUrl":"https://doi.org/10.9734/ajacr/2024/v15i5299","url":null,"abstract":"Herein, we reviewed the synthesis methods of perovskite organic hybrid materials for high-efficiency photovoltaic devices. Perovskite material has a chemical structure of ABX3 that resembles that of CaTiO3. In this type of material, A is an organic cation, B represents a metal cation species, and X represents a halide ion. The devices are widely applied due to a number of factors such as long charge carrier diffusion lifetimes and length, high absorption coefficients, and good optical absorption band edge. The power conversion efficiency of the perovskite organic-inorganic hybrid is about 25 %, which illustrates the rapid increase and the need for commercialization. To improve the performance of the perovskite materials, synthesis techniques such as solid phase synthesis, as well as gas phase synthesis, and liquid phase synthesis are applied. The X-ray diffraction technique is discussed as a tool for crystal structure determination of the materials, as well as scanning electron microscopy for morphology. This review summarizes the common synthesis techniques for perovskite solar cells and how the morphology and structural properties influence device performance.","PeriodicalId":8480,"journal":{"name":"Asian Journal of Applied Chemistry Research","volume":"12 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141920650","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}
引用次数: 0
Study on Micro Structural Properties of Alkali - Doped SiO2 Melt Using Molecular Dynamics Simulation 利用分子动力学模拟研究碱掺杂二氧化硅熔体的微观结构特性
Asian Journal of Applied Chemistry Research Pub Date : 2024-07-23 DOI: 10.9734/ajacr/2024/v15i5297
G. Trang, P. H. Kien, X.T. Tuyet, T. Như, P. D. Quang
{"title":"Study on Micro Structural Properties of Alkali - Doped SiO2 Melt Using Molecular Dynamics Simulation","authors":"G. Trang, P. H. Kien, X.T. Tuyet, T. Như, P. D. Quang","doi":"10.9734/ajacr/2024/v15i5297","DOIUrl":"https://doi.org/10.9734/ajacr/2024/v15i5297","url":null,"abstract":"Molecular dynamics (MD) simulation could provide details about local microstructure at atomic level, so we use this method to investigate micro-structural properties of sodium in Na2O-doped SiO2 melt. Additionally, we calculated the Voronoi polyhedrons to determine the spatial distribution of atoms in the simulation models. The result shows that many bridging oxygen (BO) polyhedrons and all Si-polyhedrons do not contain Na atoms. Most non-bridging oxygen (NBO) polyhedrons contain 2, 1 or no Na atoms, where BO, NBF is the O bonded with 2 and 1 or no Si, respectively. Average volume per polyhedron decreases in order: NBFx-polyhedron ® BOx-polyhedron ® Six-polyhedron. Na atoms are found in NBFx-polyhedrons and frequently move through them leading to very fast diffusivity of Na in comparison with Si and O. The simulation shows that the number of neighbors around the NBFx-polyhedron is larger than that around the BOx-polyhedron.","PeriodicalId":8480,"journal":{"name":"Asian Journal of Applied Chemistry Research","volume":"89 17","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141812722","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}
引用次数: 0
Exploration of Antioxidant, Antibacterial, and Alpha-glucosidase Inhibition Potential of Cirsium verutum (D. Don) Spreng Extracts: In vitro and in silico Approach 探索 Cirsium verutum (D. Don) Spreng 提取物的抗氧化、抗菌和α-葡萄糖苷酶抑制潜力:体外和硅学方法
Asian Journal of Applied Chemistry Research Pub Date : 2024-07-20 DOI: 10.9734/ajacr/2024/v15i4296
Manila Poudel, N. Parajuli, Sabin Khanal, Bindira Gosain, Kanchan Shakhakarmi, S. Bharati, B. Maharjan, Timila Shrestha, Jhashanath Adhikari Subin, R. Shrestha, B. Marasini
{"title":"Exploration of Antioxidant, Antibacterial, and Alpha-glucosidase Inhibition Potential of Cirsium verutum (D. Don) Spreng Extracts: In vitro and in silico Approach","authors":"Manila Poudel, N. Parajuli, Sabin Khanal, Bindira Gosain, Kanchan Shakhakarmi, S. Bharati, B. Maharjan, Timila Shrestha, Jhashanath Adhikari Subin, R. Shrestha, B. Marasini","doi":"10.9734/ajacr/2024/v15i4296","DOIUrl":"https://doi.org/10.9734/ajacr/2024/v15i4296","url":null,"abstract":"Certain medicinal plants have been used to address common infectious as well as non-infectious diseases. Diabetes mellitus poses a major global health challenge, leading to significant mortality and morbidity each year. Finding side-effect-free treatments for diabetes has always been difficult. Bacterial resistance is recognized as a significant medical concern, highlighting the need to identify new compounds that could serve as potential starting points for addressing or managing infectious diseases. The study focused on the phytochemical extraction of Cirsium verutum (D. Don) Spreng, evaluating its bioactivity and identifying potential molecules through molecular docking that could act as starting compounds for creating alternative drugs to address specific health issues. The aqueous extract demonstrated superior performance, displaying the highest phenolic content and exhibiting notable inhibitory effects on the alpha-glucosidase enzyme (31.39±0.02 mg GAE/gm and 70.46% inhibition with an IC50 value of 37.37±1.46 µg/mL, respectively). The free radical scavenging activity using DPPH indicated the maximum activity in the hexane extracts an IC50 of 442.17±0.42 µg/mL. The extracts of C. verutum demonstrated minimum inhibitory concentration (MIC) values ranging from 0.78 to 12.5 mg/mL and minimum bactericidal concentration (MBC) values ranging from 3.12 to 25 mg/mL in the antibacterial assay. The fully characterized compounds from C. verutum were searched from various papers, followed by their molecular docking. In the molecular docking study, it was discovered that among the seven top candidates, pectolinarin (01) was identified as the most promising candidate, exhibiting a docking score of -11.076 kcal/mol against intestinal alpha-glucosidase. This integrated study approach will aid in the discovery of new antibiotics and the management of diabetes.","PeriodicalId":8480,"journal":{"name":"Asian Journal of Applied Chemistry Research","volume":"109 48","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141820241","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}
引用次数: 0
Biodegradation of Spent Oil in Soil Using Citrullus Colocynthis Peels and Other Plant Wastes 利用瓜果皮和其他植物废弃物对土壤中的废油进行生物降解
Asian Journal of Applied Chemistry Research Pub Date : 2024-07-15 DOI: 10.9734/ajacr/2024/v15i4295
Nna Orji, Chinenye
{"title":"Biodegradation of Spent Oil in Soil Using Citrullus Colocynthis Peels and Other Plant Wastes","authors":"Nna Orji, Chinenye","doi":"10.9734/ajacr/2024/v15i4295","DOIUrl":"https://doi.org/10.9734/ajacr/2024/v15i4295","url":null,"abstract":"Spent oil, which contains hazardous substances that pose health risk to man and his environment, are disposed indiscriminately on land in most mechanic workshops. The waste oil find its way into farmland and water bodies causing contamination of water, plants and lands. The ingestion of contaminated water, plants and animals lead to serious health issues. The abilities of plant wastes such as Citrullus colocynthis peels were investigated for the enhancement of the biodegradation of spent oil in soils. Contaminated soil in microcosms, A to J, were treated with plant wastes, duplicated to give 20 microcosms and incubated for 180 days. Periodic soil sampling from each microcosm was followed by cold extraction with dichloromethane and residual oil were analysed via Gas Chromatography/ Mass Spectrometry techniques (GC/MS). The results showed that the biostimulants accounted for 55.2 % of the total variation in the biodegradation result, P<0.001 at α = 0.05. The compounds identified ranged from C10- C35. The highest molecular weight compounds were 17-Pentatriacontene, 490.93 g/mol and 1-Hexacosene, 490.93 g/mol, while the lowest was p-Menth-8(10)-en-9-ol, cis, 154.25 g/mol. The compounds with the highest and lowest area percentage, 36.04 % and 0.97 % were 9-Octadecenamide, (Z)-, and 9, 9-Dimethyl-9-sila-9,10-dihydrophenanthrene respectively. About, four alkanes, six alkene, fourteen oxygenated, five nitrogen containing- and eight aromatic- compounds were identified after biodegradation. There was no statistical significant difference between the performances of each of the stimulant in the microcosms, P>0.1 at α = 0.05. There was an extremely significant difference between the performance of the stimulated microcosms and the natural attenuation containing NaN3, with P<0.001 at 0.05 significant level. The results show that plant wastes have abilities to enhance the biodegradation of the spent oil. Hence, Citrullus colocynthis peels generated in the Northern Nigeria and other plant waste can be used for cost-effective and safe degradation of spent and crude oil in the Southern Nigeria for the reclamations of lands for agricultural purposes.","PeriodicalId":8480,"journal":{"name":"Asian Journal of Applied Chemistry Research","volume":"59 24","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141644099","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}
引用次数: 0
Biodegradable Nypa fruticans (Nipa) Starch-PVA Biocomposite Films for Food Packaging 用于食品包装的可生物降解 Nypa fruticans(聂巴)淀粉-PVA 生物复合薄膜
Asian Journal of Applied Chemistry Research Pub Date : 2024-07-13 DOI: 10.9734/ajacr/2024/v15i4294
Mae Ann A. Cu, Jessie T. Gento, Janeca L. Lagrimas, Flyndon Mark S. Dagalea, K. M. C. Lim
{"title":"Biodegradable Nypa fruticans (Nipa) Starch-PVA Biocomposite Films for Food Packaging","authors":"Mae Ann A. Cu, Jessie T. Gento, Janeca L. Lagrimas, Flyndon Mark S. Dagalea, K. M. C. Lim","doi":"10.9734/ajacr/2024/v15i4294","DOIUrl":"https://doi.org/10.9734/ajacr/2024/v15i4294","url":null,"abstract":"Starch-based films have been highlighted with its biodegradability, renewable, and amalgamation with other biopolymers as an intended substitute to synthetic packaging. This study aims to add to the plethora of literature on advancing a novel source of starch (Nypa fruticans) in combination with PVA and plasticizers to enhance the properties of the biocomposite film. The film’s physicochemical and food packaging properties were analyzed in terms of their water content, solubility, water vapor permeability, tensile strength, elongation at break, and transparency. The functional groups were characterized using FTIR and quantitatively analyzed the puto samples packaged in three conditions for their weight loss, sensory evaluation, and shelf life.  The results presented the biofilm with twice the elongation at break, good light barrier property, and low water vapor permeability characteristic of a packaging’s food preservation. The FTIR spectra showed the wide absorption band of the hydroxyl groups (OH) in starch and PVA and the presence of the C-O-C group representing the glucose units of starch. The food packaging analysis showed the efficiency of nipa starch biocomposite film as a prototype for a wider application in the food and packaging industry.","PeriodicalId":8480,"journal":{"name":"Asian Journal of Applied Chemistry Research","volume":"56 10","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141651715","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}
引用次数: 0
Heavy Metal Pollution in Gas Flare-Impacted Soils: An Assessment Using Pollution Indices in Obunagha, Bayelsa State, Nigeria 天然气燃烧影响土壤中的重金属污染:尼日利亚巴耶尔萨州 Obunagha 的污染指数评估
Asian Journal of Applied Chemistry Research Pub Date : 2024-07-09 DOI: 10.9734/ajacr/2024/v15i4293
Wurutuawei T. Silver, Erepamowei Young, Ajoko T. Imomotimi, Woyengidoubara W. T. Angaye, Christopher Unyime Ebong
{"title":"Heavy Metal Pollution in Gas Flare-Impacted Soils: An Assessment Using Pollution Indices in Obunagha, Bayelsa State, Nigeria","authors":"Wurutuawei T. Silver, Erepamowei Young, Ajoko T. Imomotimi, Woyengidoubara W. T. Angaye, Christopher Unyime Ebong","doi":"10.9734/ajacr/2024/v15i4293","DOIUrl":"https://doi.org/10.9734/ajacr/2024/v15i4293","url":null,"abstract":"Gas flaring is the controlled burning of natural gas which occurs as a result of the activities of oil exploration and exploitation using flare stacks. In Nigeria, gas flaring activities is high and it mainly takes place in the Niger Delta region. The aim of this study was to investigate the bioavailability and concentration of heavy metals pollution of gas flare-impacted soils using pollution indices such as contamination factor, geo-accumulation index and pollution load index. Soil samples were collected with soil auger at depths of 0-15 cm from distances of 200 m, 500 m, 1000 m, 2000 m, and 3000 m away from the flaring point. Flame atomic absorption spectrometry was used to assess the presence of the following heavy metals in the soils: cadmium, chromium, nickel, zinc, copper, and manganese. The findings revealed that Fe (90% bioavailability) had the highest bioavailability among the metals tested in the soils, while Cr (45%) had the lowest. The metals bioavailability decreased in the order of Fe>Mn>Cu>Cd>Ni>Zn>Cr. The geo-accumulation index revealed that the soils were practically uncontaminated by Zn and Cu at all distances, moderately polluted by Cd and Ni at 1000 m and 2000 m and strongly polluted with Cd at a distance of 200 m. The Contamination factor results were consistent with the geo-accumulation index results. The pollutant load index (PLI) was found to be high but decreasing (1.37-0.49) as the distance from the flare point increased, indicating that the research region was polluted. In conclusion, the study's overall findings suggested that the soils were contaminated with heavy metals (particularly Cd) as a result of nearby gas flaring. As a result, the area must be appropriately monitored and managed to prevent future soil contamination by heavy metals to a level that is hazardous to human health.","PeriodicalId":8480,"journal":{"name":"Asian Journal of Applied Chemistry Research","volume":"55 18","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141663109","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}
引用次数: 0
Development of Mathematical Model for Prediction of PM2.5 Concentrations in Ambient air of Metal Recycling Industry in Ogijo, Ogun State, South Western Nigeria 开发用于预测尼日利亚西南部奥贡州奥吉霍金属回收业环境空气中 PM2.5 浓度的数学模型
Asian Journal of Applied Chemistry Research Pub Date : 2024-07-06 DOI: 10.9734/ajacr/2024/v15i4292
T. Oshin, J. Okuo
{"title":"Development of Mathematical Model for Prediction of PM2.5 Concentrations in Ambient air of Metal Recycling Industry in Ogijo, Ogun State, South Western Nigeria","authors":"T. Oshin, J. Okuo","doi":"10.9734/ajacr/2024/v15i4292","DOIUrl":"https://doi.org/10.9734/ajacr/2024/v15i4292","url":null,"abstract":"Aims: This study aimed to develop a mathematical model for predicting PM2.5 pollutant concentrations in the ambient air of the metal recycling industry.\u0000Study Design: This research is a quantitative design and utilized a regression and correlational analysis. Three models were developed for predicting PM2.5 concentrations: Linear Regression (LRM), Nonlinear Polynomial Regression (NPRM), and Nonlinear Gamma Regression (NGRM) models. Error evaluation functions were employed to analyze how these models deviated from the experimental data. The applicability of the models was assessed using statistical tools, such as correlation coefficient (r), coefficient of determination (R²), coefficient of non-determination (K²), student’s t (t-test), equality of variance (F-test), and chi-square (X2 ) tests.\u0000Place and Duration of Study: The study was conducted in the metal recycling industry in Ogijo, Southwestern Nigeria, from November 2021 to October 2022.\u0000Methodology: Daily mean meteorological data including ambient temperature, rainfall, relative humidity (RH), wind speed (WS), wind direction (WD), solar radiation, and ultra-violet radiation were recorded using an automatic weather monitoring system positioned 2.0m above ground level at each sampling location adjacent to the PM2.5 sampler. Data were collected at 5-minute intervals and stored in memory, with data retrieval facilitated by the weather-smart program. Data collection commenced during the dry season of 2021 through wet season of 2022.\u0000Results: The analysis of error evaluation functions revealed that the NGRM exhibited the least deviation from the experimental data compared to the LRM and NPRM. Statistical analysis further demonstrated that the NGRM better represented the experimental data compared to the LRM and NPRM, resulting in the rejection of LRM and NPRM in favour of NGRM for predicting PM2.5 concentration.\u0000Conclusion: The NGRM proved to be the most suitable model for predicting PM2.5 pollutant concentrations in the study area. Temperature and pressure emerged as the most significant predictors of PM2.5 levels.","PeriodicalId":8480,"journal":{"name":"Asian Journal of Applied Chemistry Research","volume":" 13","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141671856","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}
引用次数: 0
Effect of Aqueous Extract of Cannabis sativa Leaf on the Oxidative Stress Markers in the Brain of Male Wistar Rats 大麻叶水提取物对雄性 Wistar 大鼠脑氧化应激标记物的影响
Asian Journal of Applied Chemistry Research Pub Date : 2024-06-11 DOI: 10.9734/ajacr/2024/v15i3291
Paul, Demshimeno, Ukoha Ukoha, U. Aguwa
{"title":"Effect of Aqueous Extract of Cannabis sativa Leaf on the Oxidative Stress Markers in the Brain of Male Wistar Rats","authors":"Paul, Demshimeno, Ukoha Ukoha, U. Aguwa","doi":"10.9734/ajacr/2024/v15i3291","DOIUrl":"https://doi.org/10.9734/ajacr/2024/v15i3291","url":null,"abstract":"Cannabis sativa is a commonly abused drug especially among younger people in society. The cerebellum is located at the back of the brain, immediately inferior to the occipital and temporal lobes within the posterior cranial fossa. The study was designed to show the effect of aqueous leave extract of Cannabis sativa on the performance of male Wistar rats in the hanging wire and open field neurobehavioural tests. A total of 40 Wistar rats were used and grouped into five groups. Group A received distilled water for 28 days. Group B, C, D and E served as the low, high, low dose recovery and high dose recovery group respectively. Group B were administered with 10mg/kg body weight of Cannabis sativa leave aqueous extract for 28 days. Group C were administered with 20mg/kg body weight of Cannabis sativa leave aqueous extract for 28 days. Group D was administered with 10mg/kg body weight of Cannabis sativa leave aqueous extract for 28days and were allowed for further 28 days without any administration while group E received 20mg/kg body weight of Cannabis sativa for 28 days and were allowed for further 28days without administration. Groups D and E represent the recovery groups. Group A, B and C were sacrificed a day after their last intubation. The result of the study showed that administration of Cannabis sativa led to a non-significant increase in MDA and a corresponding significant reduction in SOD and CAT levels in the experimental groups  compared to the control group A. This is a pointer to the presence oxidative stress. It can therefore be concluded that there were dose and time dependent toxic effects of Cannabis sativa in the model animals.","PeriodicalId":8480,"journal":{"name":"Asian Journal of Applied Chemistry Research","volume":"79 12","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141357874","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}
引用次数: 0
The Structural Phase Transition, Degree of Polymerization and Dynamics Characteristics of Liquid Magnesium Silicate: A Molecular Dynamics Simulation 液态硅酸镁的结构相变、聚合度和动力学特征:分子动力学模拟
Asian Journal of Applied Chemistry Research Pub Date : 2024-05-22 DOI: 10.9734/ajacr/2024/v15i3290
P. H. Kien, Phan Dinh Quang, Vu Van Anh, Tran Thi Quynh Như, G. Trang
{"title":"The Structural Phase Transition, Degree of Polymerization and Dynamics Characteristics of Liquid Magnesium Silicate: A Molecular Dynamics Simulation","authors":"P. H. Kien, Phan Dinh Quang, Vu Van Anh, Tran Thi Quynh Như, G. Trang","doi":"10.9734/ajacr/2024/v15i3290","DOIUrl":"https://doi.org/10.9734/ajacr/2024/v15i3290","url":null,"abstract":"In this paper, the structural phase transitions, degree of polymerization, and dynamics characteristics in liquid magnesium silicate (Mg2SiO4) under pressure have been studied using molecular dynamics (MD) simulation. The results indicate that the structure of Mg2SiO4 liquid includes MgOy (y = 3, 4,…8) basic units distributed in the Si-O structure network that powerfully depend on pressure. In the range 28-32 GPa, the Si-O structure network causes structural transformation from SiO4 to SiO6 via SiO5 units. Mg-O and Si-O subnets tend to form clusters with structural heterogeneity. The degree of polymerization is considered via characteristics of OT2 (T is Si or Mg), triclusters, tetraclusters bonds, and the cluster of MgOy-MgOy, SiOx-SiOx and MgOy-SiOx links. We indicated that the degree of polymerisation significantly increases with the increasing pressure. The dynamic in Mg2SiO4 liquid has been investigated through the self-diffusion, low and fast atoms. The evidence about the fast diffusion of Mg atoms in a low-pressure range is also indicated in here.","PeriodicalId":8480,"journal":{"name":"Asian Journal of Applied Chemistry Research","volume":"52 20","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141109189","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}
引用次数: 0
Assessment of Organochlorine Pesticide Residue Levels in Fruits and Vegetables Sold in Federal Capital Territory (FCT), Nigeria 尼日利亚联邦首都区(FCT)销售的水果和蔬菜中有机氯农药残留水平的评估
Asian Journal of Applied Chemistry Research Pub Date : 2024-05-21 DOI: 10.9734/ajacr/2024/v15i3289
K.C. Igwegbe, V.I. Onwukeme, A.P. Okeke
{"title":"Assessment of Organochlorine Pesticide Residue Levels in Fruits and Vegetables Sold in Federal Capital Territory (FCT), Nigeria","authors":"K.C. Igwegbe, V.I. Onwukeme, A.P. Okeke","doi":"10.9734/ajacr/2024/v15i3289","DOIUrl":"https://doi.org/10.9734/ajacr/2024/v15i3289","url":null,"abstract":"The study evaluated the organochlorine pesticide residue levels in fruits and vegetables sold in Federal Capital Territory, Abuja. Six samples were bought from eleven major markets across the six Area Councils of FCT, Abuja. The samples were mixed to form composite groups of the fruits and vegetables, and prepared using QuEChERS method. It was analysed using Agilent 7890 Gas Chromatography equipped with a micro-cell Electron Capture Detector (μECD). The analysis revealed that the hazard index (HI) for all the fruits and vegetables studied were well below the levels of adverse health effect for chronic exposure except for Onion in children which was 1.2287. The HI for the various fruits and vegetables in children were higher than those for the adult. For example, the HI for Tomato, Green Amaranth Leaves and Pepper all in children were 0.4485, 0.4411 and 0.3981 respectively while the HI for Tomato, Green Amaranth Leaves and Pepper all in adult were 0.1121, 0.1103 and 0.0995 respectively. The calculated cancer risk associated with the consumption of these fruits and vegetable showed values well below the upper bound of 1.0x10-6 except for Aldrin, Dieldrin, Heptachlor, Heptachlor Epoxide. a-BHC, b-BHC, and d-BHC especially in children. From the hazard index and cancer risk analysis, Aldrin and Dieldrin have been implicated as the pesticides of concern since they were present in reasonable concentrations for almost all the samples and age groups studied. The highest potential of cancer risk was found in Onions for children. Also, the total cancer risk implicated Onions (with a value of 1.2x10-4 for adult and 4.7x10-4 for children) and Pepper (with a value of 5.5x10-5 for adult and 2.2x10-4 for children) as the most contaminated foodstuffs with pesticide residues in the studied area. The order of the total cancer risk from the study was Onions > Pepper > Tomato > Green Amaranth Leaves > Fluted Pumpkin Leaves > Okra for both adult and children. In conclusion it was observed that pesticide residues of Endrin, o,p'-DDE and Heptachlor in Onions, Green Amaranth Leaves and Pepper were above the Codex maximum residue level (MRL). Endrin in Onions had 858.0%, o, p'-DDE in Onions had 276.0%, o, p'-DDE in Green Amaranth Leaves had 100.8%, Heptachlor in Pepper had 168.4% and Heptachlor in Onions had 119.2%. Also, the hazard index of chronic exposure and cancer risk of children for Onions requires urgent attention as their values were well above the acceptable limit. Therefore, periodic monitoring of pesticides residues in these fruits and vegetables cannot be over emphasized, but will go a long way to prevent, control and reduce environmental pollution and health risks. Also, taking precautionary measures like proper cooking before consumption of these foodstuffs is advised.","PeriodicalId":8480,"journal":{"name":"Asian Journal of Applied Chemistry Research","volume":"36 50","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141117628","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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