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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
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
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.
在此,我们综述了用于高效光伏器件的过氧化物有机杂化材料的合成方法。透镜材料的化学结构 ABX3 与 CaTiO3 相似。在这类材料中,A 代表有机阳离子,B 代表金属阳离子,X 代表卤化物离子。由于电荷载流子扩散寿命和长度长、吸收系数高、光吸收带边好等诸多因素,该器件得到了广泛应用。过氧化物有机-无机混合物的功率转换效率约为 25%,这说明了其快速增长和商业化的必要性。为了提高过氧化物材料的性能,应用了固相合成、气相合成和液相合成等合成技术。X 射线衍射技术是确定材料晶体结构的工具,而扫描电子显微镜则是确定材料形态的工具。本综述总结了过氧化物太阳能电池的常见合成技术,以及形态和结构特性如何影响设备性能。
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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
Pub Date : 2024-07-23 DOI: 10.9734/ajacr/2024/v15i5297
G. Trang, P. H. Kien, X.T. Tuyet, T. Như, P. D. Quang
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.
分子动力学(MD)模拟可以提供原子水平的局部微观结构细节,因此我们使用这种方法来研究钠在掺杂 Na2O 的 SiO2 熔体中的微观结构特性。此外,我们还计算了 Voronoi 多面体,以确定模拟模型中原子的空间分布。结果表明,许多桥氧(BO)多面体和所有硅多面体都不含钠原子。大多数非桥接氧(NBO)多面体含有 2 个、1 个或不含 Na 原子,其中 BO、NBF 分别指与 2 个、1 个或不含 Si 结合的 O。每个多面体的平均体积依次减小:NBFx 多面体 ® BOx 多面体 ® 六多面体。模拟结果表明,NBFx 多面体周围的邻域数大于 BOx 多面体周围的邻域数。
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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
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
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.
某些药用植物已被用于治疗常见的传染性和非传染性疾病。糖尿病是全球健康面临的一大挑战,每年都会导致大量死亡和发病。寻找无副作用的糖尿病治疗方法一直是个难题。细菌耐药性被认为是一个重大的医学问题,这突出表明有必要找出新的化合物,作为解决或控制传染病的潜在起点。这项研究的重点是萃取 Cirsium verutum (D. Don) Spreng 的植物化学成分,评估其生物活性,并通过分子对接确定潜在的分子,这些分子可作为开发替代药物的起始化合物,以解决特定的健康问题。水提取物表现优异,酚含量最高,对α-葡萄糖苷酶有显著的抑制作用(31.39±0.02 mg GAE/gm,抑制率为 70.46%,IC50 值为 37.37±1.46 µg/mL)。使用 DPPH 进行的自由基清除活性表明,正己烷提取物的活性最高,IC50 值为 442.17±0.42 µg/mL。在抗菌试验中,C. verutum 提取物的最低抑菌浓度 (MIC) 值为 0.78 至 12.5 毫克/毫升,最低杀菌浓度 (MBC) 值为 3.12 至 25 毫克/毫升。研究人员从多篇论文中搜索到了藜芦中特征完整的化合物,并对其进行了分子对接。在分子对接研究中发现,在七个候选化合物中,果胶苷(01)被确定为最有希望的候选化合物,其与肠道α-葡萄糖苷酶的对接得分为-11.076 kcal/mol。这种综合研究方法将有助于发现新的抗生素和治疗糖尿病。
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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
Pub Date : 2024-07-15 DOI: 10.9734/ajacr/2024/v15i4295
Nna Orji, Chinenye
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.
废油含有对人类及其环境造成健康威胁的有害物质,在大多数机修车间被随意丢弃在土地上。废油流入农田和水体,造成水、植物和土地污染。摄入受污染的水、植物和动物会导致严重的健康问题。研究人员对瓜果皮等植物废料在增强土壤中废油生物降解方面的能力进行了调查。用植物废弃物处理 A 至 J 微生态箱中的受污染土壤,重复处理 20 个微生态箱并培养 180 天。对每个微生态系统的土壤进行定期取样,然后用二氯甲烷进行冷萃取,并通过气相色谱/质谱联用技术(GC/MS)对残留油进行分析。结果显示,生物刺激剂占生物降解结果总差异的 55.2%,α = 0.05 时的 P0.1。在 0.05 的显著水平下,P<0.001。结果表明,植物废弃物具有增强废油生物降解的能力。因此,尼日利亚北部产生的瓜果皮和其他植物废弃物可用于在尼日利亚南部以具有成本效益的方式安全降解废油和原油,以重新开垦土地用于农业目的。
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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
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
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.
淀粉基薄膜因其生物降解性、可再生性以及与其他生物聚合物的混合性而备受关注,有望成为合成包装的替代品。本研究旨在补充大量文献,推动淀粉(Nypa fruticans)新来源与 PVA 和增塑剂的结合,以提高生物复合膜的性能。我们从含水量、溶解性、水蒸气渗透性、拉伸强度、断裂伸长率和透明度等方面分析了薄膜的理化和食品包装特性。利用傅立叶变换红外光谱分析了官能团的特征,并定量分析了在三种条件下包装的腻子样品的重量损失、感官评价和保质期。 结果表明,生物膜具有两倍的断裂伸长率、良好的光阻隔性和低水蒸气渗透性等包装食品保鲜特性。傅立叶变换红外光谱显示了淀粉和 PVA 中羟基(OH)的宽吸收带,以及代表淀粉葡萄糖单元的 C-O-C 基团的存在。食品包装分析表明,聂帕淀粉生物复合膜作为食品和包装行业更广泛应用的原型,具有很高的效率。
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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
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
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.
天然气燃烧是指在石油勘探和开采活动中利用燃烧烟囱有控制地燃烧天然气。在尼日利亚,天然气燃烧活动频繁,主要发生在尼日尔三角洲地区。本研究的目的是利用污染指数(如污染因子、地质累积指数和污染负荷指数)调查受天然气燃烧影响的土壤中重金属污染的生物利用率和浓度。使用土壤钻在距离燃放点 200 米、500 米、1000 米、2000 米和 3000 米处的 0-15 厘米深处采集土壤样本。采用火焰原子吸收光谱法评估了土壤中以下重金属的含量:镉、铬、镍、锌、铜和锰。研究结果表明,在土壤中测试的金属中,铁的生物利用率最高(90%),而铬的生物利用率最低(45%)。金属的生物利用率按照铁>锰>铜>镉>镍>锌>铬的顺序依次降低。地质累积指数显示,土壤在所有距离上基本未受到锌和铜的污染,在 1000 米和 2000 米处受到镉和镍的中度污染,在 200 米处受到镉的严重污染。污染物负荷指数(PLI)较高,但随着距燃烧点距离的增加而降低(1.37-0.49),表明研究区域受到污染。总之,研究的总体结果表明,由于附近的天然气燃烧,土壤受到了重金属(尤其是镉)的污染。因此,必须对该地区进行适当的监测和管理,以防止未来土壤受重金属污染达到危害人类健康的程度。
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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
Pub Date : 2024-07-06 DOI: 10.9734/ajacr/2024/v15i4292
T. Oshin, J. Okuo
Aims: This study aimed to develop a mathematical model for predicting PM2.5 pollutant concentrations in the ambient air of the metal recycling industry.Study 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.Place and Duration of Study: The study was conducted in the metal recycling industry in Ogijo, Southwestern Nigeria, from November 2021 to October 2022.Methodology: 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.Results: 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.Conclusion: 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.
研究目的:本研究旨在开发一个数学模型,用于预测金属回收行业环境空气中的 PM2.5 污染物浓度:本研究采用定量设计,利用回归和相关分析。为预测 PM2.5 浓度建立了三个模型:线性回归 (LRM)、非线性多项式回归 (NPRM) 和非线性伽马回归 (NGRM) 模型。采用误差评估函数来分析这些模型与实验数据的偏差。使用相关系数 (r)、判定系数 (R²)、非判定系数 (K²)、学生 t (t 检验)、方差齐性 (F 检验) 和卡方 (X2) 检验等统计工具对模型的适用性进行了评估:研究于 2021 年 11 月至 2022 年 10 月在尼日利亚西南部 Ogijo 的金属回收行业进行:使用自动气象监测系统记录每日平均气象数据,包括环境温度、降雨量、相对湿度 (RH)、风速 (WS)、风向 (WD)、太阳辐射和紫外线辐射。数据收集间隔为 5 分钟,并存储在内存中,数据检索由天气智能程序提供。数据收集从 2021 年旱季开始,到 2022 年雨季结束:误差评估函数分析表明,与 LRM 和 NPRM 相比,NGRM 与实验数据的偏差最小。统计分析进一步表明,与 LRM 和 NPRM 相比,NGRM 更好地代表了实验数据,因此在预测 PM2.5 浓度时,摒弃了 LRM 和 NPRM,转而使用 NGRM:事实证明,NGRM 是预测研究区域 PM2.5 污染物浓度的最合适模型。温度和压力是预测 PM2.5 浓度的最重要因素。
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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
Pub Date : 2024-06-11 DOI: 10.9734/ajacr/2024/v15i3291
Paul, Demshimeno, Ukoha Ukoha, U. Aguwa
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.
大麻是一种常见的滥用药物,尤其是在社会上的年轻人中间。小脑位于大脑后部,紧靠后颅窝内枕叶和颞叶的下部。本研究旨在显示大麻水提取物对雄性 Wistar 大鼠在吊线和开放场地神经行为测试中表现的影响。实验共使用了 40 只 Wistar 大鼠,并将其分为五组。A 组饮用蒸馏水 28 天。B、C、D 和 E 组分别为低剂量组、高剂量组、低剂量恢复组和高剂量恢复组。B 组接受每公斤体重 10 毫克的大麻叶水提取物,为期 28 天。C 组按每公斤体重施用 20 毫克大麻叶水提取物,为期 28 天。D 组每公斤体重施用 10 毫克大麻叶水提取物 28 天,之后 28 天不再施用任何药物;E 组每公斤体重施用 20 毫克大麻叶水提取物 28 天,之后 28 天不再施用任何药物。D 组和 E 组为恢复组。A 组、B 组和 C 组在最后一次插管后一天牺牲。研究结果表明,与对照组 A 相比,实验组服用大麻会导致 MDA 无显著增加,SOD 和 CAT 水平相应显著降低。因此可以得出结论,大麻对模型动物的毒性作用与剂量和时间有关。
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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
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
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.
本文利用分子动力学(MD)模拟研究了压力下液态硅酸镁(Mg2SiO4)的结构相变、聚合度和动力学特征。结果表明,Mg2SiO4 液体的结构包括分布在硅-氧结构网络中的 MgOy(y = 3、4、......8)基本单元,它们与压力密切相关。在 28-32 GPa 的范围内,Si-O 结构网络通过 SiO5 单元导致结构从 SiO4 转变为 SiO6。Mg-O 和 Si-O 子网倾向于形成具有结构异质性的簇。聚合度是通过 OT2(T 为 Si 或 Mg)、三簇、四簇键以及 MgOy-MgOy、SiOx-SiOx 和 MgOy-SiOx 链接簇的特征来考虑的。我们发现,聚合度随着压力的增加而显著提高。我们通过自扩散、低原子和快原子研究了 Mg2SiO4 液体中的动态。这里还指出了镁原子在低压范围内快速扩散的证据。
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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
Pub Date : 2024-05-21 DOI: 10.9734/ajacr/2024/v15i3289
K.C. Igwegbe, V.I. Onwukeme, A.P. Okeke
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.
这项研究对阿布贾联邦首都区销售的水果和蔬菜中的有机氯农药残留水平进行了评估。研究人员从阿布贾联邦首都区六个区议会的十一个主要市场购买了六个样本。这些样品被混合成水果和蔬菜的复合组,并使用 QuEChERS 方法进行制备。使用配备微电池电子捕获检测器(μECD)的 Agilent 7890 气相色谱仪进行分析。分析结果表明,除了洋葱对儿童的危害指数(HI)为 1.2287 外,所有研究的水果和蔬菜的危害指数都远远低于长期接触会对健康造成不良影响的水平。各种水果和蔬菜对儿童的危害指数均高于成人。例如,儿童摄入番茄、绿苋菜叶和胡椒的健康影响指数分别为 0.4485、0.4411 和 0.3981,而成人摄入番茄、绿苋菜叶和胡椒的健康影响指数分别为 0.1121、0.1103 和 0.0995。除艾氏剂、狄氏剂、七氯、环氧七氯、a-BHC、b-BHC 和 d-BHC 外,与食用这些水果和蔬菜有关的癌症风险计算值远低于 1.0x10-6 的上限,尤其是对儿童而言。从危害指数和癌症风险分析来看,艾氏剂和狄氏剂是值得关注的农药,因为它们在几乎所 有研究样本和年龄组中都有合理的浓度。对儿童来说,洋葱的潜在癌症风险最高。此外,总癌症风险表明,洋葱(成人为 1.2x10-4,儿童为 4.7x10-4)和胡椒(成人为 5.5x10-5,儿童为 2.2x10-4)是研究地区受农药残留污染最严重的食品。研究发现,成人和儿童患癌症的总风险依次为洋葱 > 辣椒 > 番茄 > 绿苋菜叶 > 南瓜叶 > 秋葵。总之,研究发现洋葱、绿苋菜叶和辣椒中的异狄氏剂、o,p'-DDE 和七氯杀虫剂残留量高于食品法典最高残留限量(MRL)。洋葱中的异狄氏剂含量为 858.0%,洋葱中的邻,对二苯醚含量为 276.0%,绿苋菜叶中的邻,对二苯醚含量为 100.8%,辣椒中的七氯含量为 168.4%,洋葱中的七氯含量为 119.2%。此外,由于洋葱中的慢性接触危害指数和儿童患癌风险值远远高于可接受的限值,因此亟需关注。因此,定期监测这些水果和蔬菜中的农药残留再怎么强调也不为过,这将大大有助于预防、控制和减少环境污染和健康风险。此外,建议采取预防措施,如在食用这些食品前进行适当烹饪。
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Asian Journal of Applied Chemistry Research
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