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The Effects of Varying Predator Dispersal Strength on Prey-Predator Dynamics with Refuge Process 捕食者扩散强度的变化对猎物-捕食者动态的影响
Q3 MULTIDISCIPLINARY SCIENCES Pub Date : 2023-10-19 DOI: 10.11113/mjfas.v19n5.3088
Zati Iwani Abdul Manaf, Mohd Hafiz Mohd
The combined effects of (symmetric or asymmetric) dispersal and refuge mechanisms can have a significant impact on prey-predator dynamics. However, there remains a knowledge gap in concerning the incorporation of asymmetrical dispersal in the presence of prey refuges. Therefore, this paper aims to examine the influence of varying levels of asymmetrical (i.e., predator) dispersal on the interactions between prey and predators, as well as the role of prey refuges in facilitating species coexistence. The investigation begins by introducing an ordinary differential equation (ODE) model for the prey-predator system, which is subsequently extended to a partial differential equation (PDE) model. By conducting one-parameter bifurcation analysis on both models, the presence of transcritical and Hopf bifurcation points is established. Furthermore, the research delves into the spatio-temporal dynamics of the PDE model, capturing the intricate interactions between a specialized prey species and its predator. The focus is on examining the effects of different strengths of predator dispersal on the dynamics of the prey-predator system. The aim is to gain a comprehensive understanding of how predator dispersal influences the stability and persistence of the system, and to investigate the ecological implications of these dynamics in terms of prey-predator coexistence. Hence, the main findings of the research suggest that the increased levels of predator dispersal led to a wider range of prey refuges, supporting species coexistence. In conclusion, this study emphasises the critical importance of predator and prey dispersal dynamics in determining the key mechanisms that can promote species coexistence
(对称或不对称)分散和避难机制的共同作用对捕食者-猎物动力学具有重要影响。然而,关于在猎物避难所存在的情况下纳入不对称扩散的知识差距仍然存在。因此,本文旨在研究不同程度的不对称(即捕食者)分散对猎物和捕食者之间相互作用的影响,以及猎物避难所在促进物种共存中的作用。研究首先引入了捕食-捕食系统的常微分方程(ODE)模型,随后将其推广为偏微分方程(PDE)模型。通过对两种模型进行单参数分岔分析,证明了模型存在跨临界分岔点和Hopf分岔点。此外,该研究还深入研究了PDE模型的时空动态,捕捉了特定猎物物种与其捕食者之间复杂的相互作用。重点是研究捕食者分散的不同强度对捕食者-捕食者系统动力学的影响。目的是全面了解捕食者扩散如何影响系统的稳定性和持久性,并从捕食者-捕食者共存的角度研究这些动态的生态含义。因此,研究的主要发现表明,捕食者分散程度的增加导致了更大范围的猎物避难所,支持物种共存。总之,本研究强调了捕食者和猎物扩散动力学在确定促进物种共存的关键机制方面的重要性
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引用次数: 0
Development and Validation of an HPLC-DAD Method for the Simultaneous Analysis of Phenolic Compounds HPLC-DAD同时分析酚类化合物方法的建立与验证
Q3 MULTIDISCIPLINARY SCIENCES Pub Date : 2023-10-19 DOI: 10.11113/mjfas.v19n5.3049
Lloyd Earl L. Flandez, Katherine Ann T. Castillo-Israel, Joel P. Rivadeneira, Arvin Paul P. Tuaño, Amelia B Hizon-Fradejas
Phenolic compounds are natural substances that exhibit different functional bioactivities and provide health-protective actions against chronic illnesses. The vast potential of these compounds in health and other sectors demands the establishment of analytical procedures for their immediate and simultaneous analysis. In this study, a high-performance liquid chromatography with diode-array detection (HPLC-DAD) method was developed and validated for the simultaneous analysis of gallic acid, catechin, epicatechin, rutin hydrate, caffeic acid, syringic acid, ellagic acid, p-coumaric acid, trans-ferulic acid, myricetin, resveratrol, and quercetin. The chromatographic separation of the selected polyphenols was carried out in a reversed-phase Inertsil ODS-3 column (250mm x 4.5mm x 5µm) at a flow rate of 0.8 mL/min, injection volume of 20 µL, and column temperature of 30°C. The detection and quantification of phenolic compounds were done at specific wavelengths (254, 275, 305, and 325 nm) using gradient elution for 40 minutes, with acidified water and acetonitrile solution as mobile phase. Validation of the established analytical procedure showed that the coefficient of determination (R2 > 0.99), limit of detection (0.01 to 0.35 µg/mL), limit of quantitation (0.03 to 1.07 µg/mL), recovery values (98.33 to 101.12%), and repeatability (RSD < 5%) respectively indicated a linear, sensitive, accurate, and precise analytical method for the simultaneous chromatographic analysis of the 12 phenolic compounds. Overall, the developed HPLC-DAD procedure can offer adequate confidence for the identification and quantification of specific polyphenols and can be modified or updated for future analysis of phenolic compounds in different plant extracts.
酚类化合物是一种天然物质,具有不同的功能性生物活性,对慢性疾病具有健康保护作用。这些化合物在卫生和其他部门的巨大潜力要求建立分析程序,以便对其进行即时和同时分析。本研究建立了高效液相色谱-二极管阵列检测(HPLC-DAD)方法,用于同时分析没食子酸、儿茶素、表儿茶素、水合芦丁、咖啡酸、丁香酸、鞣花酸、对香豆酸、反式阿魏酸、杨梅素、白藜芦醇和槲皮素。所选多酚采用反相Inertsil ODS-3色谱柱(250mm × 4.5mm × 5µm)进行色谱分离,流速为0.8 mL/min,进样量为20µL,柱温为30℃。以酸化水和乙腈溶液为流动相,在特定波长(254、275、305和325 nm)梯度洗脱40分钟,对酚类化合物进行检测和定量。建立的分析方法验证表明,测定系数(R2 >0.99),检出限(0.01 ~ 0.35µg/mL),定量限(0.03 ~ 1.07µg/mL),回收率(98.33 ~ 101.12%),重复性(RSD <5%)分别为12种酚类化合物的同时色谱分析提供了一种线性、灵敏、准确、精密度高的分析方法。总的来说,开发的HPLC-DAD程序可以为特定多酚的鉴定和定量提供足够的信心,并且可以修改或更新以用于未来不同植物提取物中酚类化合物的分析。
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引用次数: 0
Improved Performance of Optical Fiber Core: Role of Plasmonic Metals Activation 提高光纤芯的性能:等离子体金属活化的作用
Q3 MULTIDISCIPLINARY SCIENCES Pub Date : 2023-10-19 DOI: 10.11113/mjfas.v19n5.3032
Hussein Taqi John, Oday Jawad Kadhim, Imad Kamil Zayer, M S Aziz, A A Salim
Optical fiber core with customized characteristics became demanding for diverse high performance applications. Based on this idea, the optical fiber core was activated using various plasmonic metals (beryllium, chromium, and nickel) to improve its refractive index, sensitivity and bandwidth. The influence of various wavelengths and core radii on three modes (LP01, LP11 and LP21) propagation was determined using finite element analysis (FEM). The COMSOL MULTIPHYSICS software was used for the computation. The fiber core radii of the plasmonic metal activated and wavelengths were varied to control the forward and backward energy propagation as well as the modal dispersion relation. Quantities like effective refractive index, attenuation, propagation constant and diffusion coefficient for the three modes as a function of wavelengths and fiber core radii were calculated, which showed maximum values at shorter wavelengths. Irrespective of the type of metal activation in the fiber core, the refractive index of LP01 mode for the core of radius 200 nm was more significantly affected compared to others. Regardless of different metals inclusion, the dispersion relation (refractive index versus frequency) for all modes was strongly positive, showing increasing values for radius in the order of 200, 400, 600 nm. Plasmonic metals Cr and Ni displayed best effect, while Be required high values of V to get LP01 in a narrow range and other modes appeared in a larger range than V. Present results may be useful for the development of high performance optical fiber core.
具有定制特性的光纤芯对各种高性能应用的要求越来越高。基于这个想法,使用各种等离子体金属(铍、铬和镍)激活光纤芯,以提高其折射率、灵敏度和带宽。利用有限元分析(FEM)确定了不同波长和芯半径对LP01、LP11和LP21三种模式传播的影响。采用COMSOL MULTIPHYSICS软件进行计算。通过改变激活等离子体金属的纤芯半径和波长来控制能量的正向和反向传播以及模态色散关系。计算了三种模式的有效折射率、衰减、传播常数和扩散系数随波长和纤芯半径的变化规律,在波长较短时达到最大值。无论光纤芯中金属活化的类型如何,半径为200 nm的纤芯对LP01模式折射率的影响更为显著。在不同的金属夹杂物中,所有模式的色散关系(折射率与频率)都是强正的,半径以200、400、600 nm的数量级递增。等离子体金属Cr和Ni表现出最好的效果,而Be需要高V值才能在较窄的范围内得到LP01,而其他模式出现的范围比V更大。本研究结果可能对高性能光纤芯的开发有帮助。
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引用次数: 0
Efficacy of Acute Oral Supplementation of Aquilaria malaccensis Leaves Aqueous Extract on Adult Female Sprague Dawley Rat Growth Performance 急性口服补充沉香叶水提物对成年雌性大鼠生长性能的影响
Q3 MULTIDISCIPLINARY SCIENCES Pub Date : 2023-10-19 DOI: 10.11113/mjfas.v19n5.2782
Nurul Amalina Mohamad Nasir, Asmad Kari, Mohd Nizam Haron, Connie Fay Komilus
Aquilaria malaccensis belongs to the Thymelaceae family and is frequently encountered in select states of Peninsular Malaysia, notably Terengganu, Kelantan, Pahang, and Johor. Its favorable pharmacological and nutritional attributes have attracted the attention of experts in the pharmaceutical and food industries. They are currently investigating its potential as an organic substitute herb for the formulation of diverse medicinal commodities. In spite of its growing utilization as a supplementary component, it is crucial to acknowledge that improper or excessive consumption of Aquilaria malaccensis leaf extract might pose a risk of oral toxicity. To evaluate this aspect, an acute study was carried out to investigate both the immediate and delayed toxic repercussions of aqueous extract from Aquilaria malaccensis leaves on rats during a 14-day span.The study involved twenty-four female Sprague Dawley rats, divided into four groups: Control (C); 1 ml of distilled water, Treatment 1 (T1); 1 g of Aquilaria malaccensis per kg of body weight, Treatment 2 (T2); 2 g per kg of body weight, and Treatment 3 (T3); 3 g per kg of body weight. The data were analyzed using appropriate statistical methods; one-way analysis of variance (ANOVA) for parametric data and the Chi-Square test for non-parametric data.The results indicated that both T2 and T3 led to a significant increase in the mean weight of the organ (i.e.,ovary) compared to the control group. However, no significant differences were observed among the treatment groups with regard to weekly food intake (WFI), feed conversion ratio (FCR), and body weight gain (BWG) throughout the 14-day acute oral toxicity assessment. In conclusion, this preliminary study involving female rats suggests that doses of Aquilaria malaccensis up to 3 g/kg of body weight do not result in immediate (within 3-4 hours) or delayed toxic effects over a 14-day period, as evidenced by behavioral and physical, and growth parameter assessments (weekly food intake (WFI), feed conversion ratio (FCR), and body weight gain (BWG). The study indicates that exposing the animals to Aquilaria malaccensis aqueous extract at doses of 1 g, 2 g, and 3 g/kg of body weight does not adversely affect their overall condition. No instances of mortality or severe clinical effects were observed in any of the female rats during this acute oral toxicity study.
木香属百里香科,在马来西亚半岛的某些州,特别是登嘉楼、吉兰丹、彭亨州和柔佛州,经常遇到。其良好的药理和营养特性引起了制药和食品行业专家的关注。他们目前正在调查其作为多种药用商品配方的有机替代草药的潜力。尽管其作为一种补充成分的使用越来越多,但重要的是要认识到,不适当或过量食用沉香叶提取物可能会造成口服毒性的风险。为了评估这方面,进行了一项急性研究,以调查沉香叶水提取物在14天内对大鼠的即时和延迟毒性反应。该研究涉及24只雌性Sprague Dawley大鼠,分为四组:Control (C);1 ml蒸馏水,处理1 (T1);每公斤体重加沉香1 g,处理2 (T2);每公斤体重2克,处理3 (T3);每公斤体重3克。采用适当的统计学方法对数据进行分析;参数数据采用单因素方差分析(ANOVA),非参数数据采用卡方检验。结果表明,与对照组相比,T2和T3均导致器官(即卵巢)的平均重量显著增加。然而,在为期14天的急性口服毒性评估中,各处理组在周采食量(WFI)、饲料系数(FCR)和体重增加(BWG)方面没有观察到显著差异。总之,这项涉及雌性大鼠的初步研究表明,在行为和身体以及生长参数评估(每周摄食量(WFI)、饲料转化率(FCR)和体重增加(BWG)中,高达3 g/kg体重的黑沉香剂量不会导致立即(3-4小时)或延迟14天的毒性作用。研究表明,将动物暴露于1 g, 2 g和3 g/kg体重剂量的黑沉香水提取物中不会对它们的整体状况产生不利影响。在此急性口服毒性研究中,没有观察到任何雌性大鼠的死亡或严重临床效应。
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引用次数: 0
Stochastic Model of the Annual Maximum Rainfall Series Using Probability Distributions 基于概率分布的年最大降水序列的随机模型
Q3 MULTIDISCIPLINARY SCIENCES Pub Date : 2023-10-19 DOI: 10.11113/mjfas.v19n5.2945
Nurul Azizah Musakkir, Nurtiti Sunusi, Sri Astuti Thamrin
Rainfall is a natural process that is often characterized by significant variability and uncertainty. Stochastic models of rainfall typically involve the use of probability distributions to describe the likelihood of different outcomes occurring. This study aimed to model the annual maximum of daily rainfall in Makassar City, Indonesia for the period 1980–2022, specifically focusing on the rainy season (November to April) using probability distributions to estimate return periods. The study used the Generalized Extreme Value (GEVD) and Gumbel distributions. The Kolmogorov-Smirnov test was used to determine the suitability of each distribution, and the likelihood ratio test was employed to determine the best-fit model. The Mann-Kendall test was used to detect any trends in the data. The results indicated that the Gumbel distribution was the best-fit model for data in November, December, January, March, and April, while GEV was appropriate for February. No trends were observed in any of the months. The study then estimated the maximum rainfall for various return periods. January produced the highest maximum rainfall estimates for the 2, 3, and 5-year return periods, while February produced the highest maximum rainfall estimates for the 10 and 20-year return periods. Information about maximum rainfall can be valuable for the government and other stakeholders in developing flood prevention strategies and mitigating the effects of heavy rainfall, particularly during the peak months of the rainy season in Makassar City, which are December, January, and February.
降雨是一个自然过程,通常具有显著的可变性和不确定性。降雨的随机模型通常涉及使用概率分布来描述不同结果发生的可能性。本研究旨在模拟1980-2022年印度尼西亚望加锡市的年最大日降雨量,特别关注雨季(11月至4月),使用概率分布来估计回归期。本研究采用广义极值分布(GEVD)和甘贝尔分布。采用Kolmogorov-Smirnov检验确定各分布的适宜性,采用似然比检验确定最佳拟合模型。曼-肯德尔检验用于检测数据中的任何趋势。结果表明,对于11月、12月、1月、3月和4月的数据,Gumbel分布最适合,而对于2月的数据,GEV分布最适合。在任何月份都没有观察到趋势。然后,该研究估算了不同回归期的最大降雨量。1月对2年、3年和5年回归期的最大降雨量估计最高,而2月对10年和20年回归期的最大降雨量估计最高。有关最大降雨量的信息对于政府和其他利益攸关方制定防洪战略和减轻暴雨影响具有重要价值,特别是在望加锡市雨季的高峰期,即12月、1月和2月。
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引用次数: 0
Two-dimensional and Three-dimensional Image-guided Evaluation of Patient Positioning for Intensity-modulated Radiation Therapy of Head and Neck Cancer 二维和三维图像引导下对头颈部肿瘤调强放疗患者体位的评价
Q3 MULTIDISCIPLINARY SCIENCES Pub Date : 2023-10-19 DOI: 10.11113/mjfas.v19n5.3040
Zul Iskandar Johari, Nor Aniza Azmi, Nur Fa’izah Ab Muin, Rukiah A Latiff, Muhammad Safwan Ahmad Fadzil, Rosmizan Ahmad Razali
Patient positioning accuracy is critical in radiation therapy, especially in intensity-modulated radiation therapy (IMRT) for head and neck cancer (HNC), as it can affect treatment effectiveness and safety. This retrospective study aimed to evaluate the accuracy of patient positioning techniques and compare the effectiveness of using multiple image-guided (IG) methods for IG-IMRT of HNC. Cone-beam computed tomography (CBCT) and kV-planar imaging (OBI) collected 3240 treatment couch coordinates in three translational directions from 60 HNC patients undergoing IMRT. Inter-fraction errors were assessed by registering the scans to the planning CT, and the population systematic set-up error (Σ), random error (σ), and planning target volume (PTV) margin were calculated. The results between OBI and CBCT were analyzed and compared using one-way ANOVA. The findings demonstrated that more than 80% of the image-guided patient positioning set-ups were acceptable. The mean couch displacement for image-guided techniques was negligible in all translational directions using OBI and CBCT. However, the PTV margin for both methods was more than 0.5 cm, except for the CBCTA-P direction. This study highlights the effectiveness of OBI and CBCT as modalities for evaluating and improving the accuracy of IMRT in HNC patients. Determination of the systematic and random errors and calculating the optimal PTV margin without rematching images can help improve the precision of patient positioning and ultimately lead to better treatment outcomes.
患者定位的准确性在放疗中是至关重要的,特别是在头颈癌(HNC)的调强放疗(IMRT)中,因为它可以影响治疗的有效性和安全性。本回顾性研究旨在评估患者定位技术的准确性,并比较使用多种图像引导(IG)方法进行HNC IG- imrt的有效性。锥形束计算机断层扫描(CBCT)和kv平面成像(OBI)收集了60例接受IMRT的HNC患者在三个平移方向上的3240个治疗床坐标。通过将扫描结果与规划CT进行配准来评估分数间误差,并计算总体系统设置误差(Σ)、随机误差(Σ)和规划目标体积(PTV)裕度。采用单因素方差分析比较OBI和CBCT的结果。研究结果表明,超过80%的图像引导的患者定位设置是可接受的。在使用OBI和CBCT的所有平移方向上,图像引导技术的平均沙发位移可以忽略不计。除CBCTA-P方向外,两种方法的PTV裕度均大于0.5 cm。本研究强调了OBI和CBCT作为HNC患者IMRT评估和提高准确性的有效方法。确定系统误差和随机误差,在不重新匹配图像的情况下计算最佳PTV边缘,有助于提高患者定位的精度,最终获得更好的治疗效果。
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引用次数: 0
Synthesis, Properties, and Applications of Vanadium Pentoxide (V2O5) as Photocatalyst: A Review 五氧化二钒(V2O5)光催化剂的合成、性能及应用综述
Q3 MULTIDISCIPLINARY SCIENCES Pub Date : 2023-10-19 DOI: 10.11113/mjfas.v19n5.2774
K. S. A. Sohaimi, J. Jaafar, N. Rosman
Water pollution has increased worldwide, sparking interest in photocatalysis, a viable water treatment approach. Vanadium pentoxide (V2O5) is a good photocatalyst for photocatalytic degradation due to its excellent crystallinity, high yield and recyclability, low cost, photo-corrosion resistance, small band gap (2.3 eV), improved electron mobility, and broad absorption range. Pure V2O5's photocatalytic efficiency is limited by inefficient photonic and quantum processes, and its tiny structure enables photogenerated carriers to recombine, reducing efficiency. This prevents widespread use of V2O5. This mini-review examines V2O5 as a potent visible-light photocatalyst, focusing on its structure, synthesis methods, and modifications that improve its efficiency. Hydrothermal, sol-gel, co-precipitation, solvothermal, and others are reviewed. The methods employed affect the photocatalyst's efficiency. Photogenerated electron-hole separation, charge transfer to catalyst surface or across two-phase catalyst interfaces, and reactive species interaction with hazardous contaminants are all affected. Photoredox uses have been explored for dyes, phenols, and pharmaceutical wastes. According to a review of the past decades, V2O5 has primarily been used for the degradation of dye pollutants, with fewer applications for pharmaceutical wastes and other pollutants. More research on V2O5's capabilities and qualities on diverse target pollutants is needed. This mini-review discusses present obstacles in producing vanadium pentoxide-based systems and future research prospects. Despite its potential as a photocatalyst, V2O5 has not been thoroughly researched as an electron storage material. Numerous investigations have shown that V2O5 can store energy like lithium batteries. This finding will likely motivate researchers and newcomers to explore V2O5's potential to synthesise nanomaterials with increased electron storage capacity, making it a good day-night photocatalyst. This review should improve future V2O5 research.
世界范围内的水污染日益严重,引发了人们对光催化的兴趣,这是一种可行的水处理方法。五氧化二钒(V2O5)具有结晶度好、收率高、可循环利用、成本低、耐光腐蚀、带隙小(2.3 eV)、电子迁移率高、吸收范围宽等优点,是一种良好的光催化降解光催化剂。纯V2O5的光催化效率受到低效的光子和量子过程的限制,其微小的结构使光生载流子重组,降低了效率。这阻止了V2O5的广泛使用。本文综述了V2O5作为一种有效的可见光催化剂,重点介绍了它的结构、合成方法和提高其效率的修饰。综述了水热法、溶胶-凝胶法、共沉淀法、溶剂热法等。所采用的方法影响光催化剂的效率。光生电子-空穴分离、电荷向催化剂表面或跨两相催化剂界面的转移以及活性物质与有害污染物的相互作用都受到影响。对染料、酚类和制药废物的光氧化还原利用进行了探索。根据过去几十年的回顾,V2O5主要用于染料污染物的降解,较少用于制药废物和其他污染物的降解。V2O5对不同目标污染物的处理能力和质量有待进一步研究。本文讨论了目前生产五氧化二钒体系的障碍和未来的研究前景。尽管V2O5具有作为光催化剂的潜力,但作为电子存储材料的研究还不够深入。大量的研究表明,V2O5可以像锂电池一样储存能量。这一发现可能会激励研究人员和新来者探索V2O5的潜力,以合成具有更高电子存储容量的纳米材料,使其成为一种良好的昼夜光催化剂。本文综述对今后V2O5的研究有一定的指导意义。
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引用次数: 0
Investigating the Effect of Tuning the Metal Center in Complexes for Nonlinear Optical Application 非线性光学应用中调整配合物金属中心的效果研究
Q3 MULTIDISCIPLINARY SCIENCES Pub Date : 2023-10-19 DOI: 10.11113/mjfas.v19n5.2929
Mamoona Jillani, Nur Athirah, Suhaila Sapari, Fazira Ilyana Abdul Razak
In this study, the new transition metal complexes, ML with M = Zn (II), Ni (II), and Pd (II) based on the N,N'-Bis[O-(diphenylphosphino)benzylidene)ethylenediamine ligand were successfully synthesized with a percentage yield of between 33 – 68%. As a result of fourier transform infrared spectroscopy (FTIR), UV-vis spectroscopy (UV-vis), and 1H nuclear magnetic resonance (proton NMR) was used to design and completely describe the metal complexes properties. Moreover, for computational study, the Gaussian16 software installed in the high-performance computer (HPC) is used for NLO calculation. The method used to perform this study is Density Functional Theory (DFT) method. 6-31G(d,p) basis set is used with LANL2DZ for zinc, nickel, and palladium along with the keyword ‘GEN’. The molecular structure has been optimized and checked both bond length and bond angle before starting to run the calculation. Thus, NLO calculation had been performed. The dipole moment and the HOMO-LUMO energy gap were employed to verify the first hyperpolarizability, βtot, which can be utilized as an indication of second nonlinear optical characteristics. Transition metal-based complexes produce impressive results because they provide additional flexibility by offering charge transfer (CT) transitions between the metal and the ligands, resulting in a higher NLO response. Due to the charge transfer excitations, it was discovered that the nickel complex with 2.87 D had the largest NLO response (117215.66 x 10-30 esu), particularly in comparison with the zinc complex (2329.72 x 10-30 esu) and palladium complex (191.07 x 10-30 esu) with 6.52 D and 4.04 D values, respectively.
本文以N,N′-双[O-(二苯基膦)苄基)乙二胺为配体,成功合成了M = Zn (II), Ni (II)和Pd (II)的新型过渡金属配合物ML,产率在33 ~ 68%之间。利用傅里叶变换红外光谱(FTIR)、紫外-可见光谱(UV-vis)和1H核磁共振(质子核磁共振)对金属配合物的性质进行了设计和完整描述。此外,在计算研究中,采用安装在高性能计算机(HPC)中的Gaussian16软件进行NLO计算。本研究采用密度泛函理论(DFT)方法。6-31G(d,p)基组与LANL2DZ一起用于锌、镍和钯,关键字为“GEN”。在开始计算之前,对分子结构进行了优化,并对键长和键角进行了校核。因此,进行了NLO计算。利用偶极矩和HOMO-LUMO能隙验证了第一超极化率βtot,它可以作为第二非线性光学特性的指示。过渡金属基配合物产生了令人印象深刻的结果,因为它们通过在金属和配体之间提供电荷转移(CT)转变提供了额外的灵活性,从而产生更高的NLO响应。由于电荷转移激发,发现镍配合物的NLO响应值为2.87,为117215.66 × 10-30 esu,特别是与锌配合物(2329.72 × 10-30 esu)和钯配合物(191.07 × 10-30 esu)相比,D值分别为6.52和4.04。
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引用次数: 0
Novel Extraction of Phosphorus using Interaction of Tricaprylylmethylammonium Chloride (TOMAC) with Biodegradable Mixture of Vegetable Oils 三丙基甲基氯化铵(TOMAC)与生物可降解植物油混合物相互作用萃取磷的新方法
Q3 MULTIDISCIPLINARY SCIENCES Pub Date : 2023-10-19 DOI: 10.11113/mjfas.v19n5.3053
Raja Norimie Raja Sulaiman, Aishah Rosli, Norasikin Othman, Muhammad Abbas Ahmad Zaini
This work addresses the development of green formulation for phosphorus compound removal from aqueous solution via solvent extraction process. Several types of extractants, diluents and stripping agents were experimentally investigated and the best formulation was determined. Additionally, other parameters investigated were extractant and stripping agent concentrations. Results showed that TOMAC, a mixture of palm oil (PO) and sunflower oil (SO) as well as sodium chloride (NaCl) turned out to be the best extractant, diluent and stripping agent, respectively. Almost 100 % of 50 ppm of phosphorus were successfully extracted under optimum conditions of 0.3M TOMAC in a mixture of 50% PO + 50% SO. Fourier-transform infrared spectroscopy (FTIR) analysis confirmed the intermolecular bonding formation between phosphorus, vegetable oils and TOMAC molecules. Meanwhile, almost 96.5% of phosphorus can be recovered using 1.0M NaCl in two stages of stripping process. Stoichiometric studies showed that about one mole of TOMAC and NaCl were involved during the extraction and stripping reaction of phosphorus, respectively. It can be concluded that the solvent extraction with new green formulation containing TOMAC in interaction with vegetable oils seems to be one of the novel sustainable approaches in removing phosphorus from agricultural wastewater.
本文研究了溶剂萃取法去除水溶液中磷化合物的绿色配方。对几种萃取剂、稀释剂和溶出剂进行了实验研究,确定了最佳配方。此外,还考察了萃取剂和溶出剂的浓度。结果表明,TOMAC、棕榈油(PO)和葵花籽油(SO)的混合物以及氯化钠(NaCl)分别是最佳萃取剂、稀释剂和剥离剂。在0.3M TOMAC的最佳条件下,在50% PO + 50% SO的混合物中,几乎100%地成功提取了50 ppm的磷。傅里叶变换红外光谱(FTIR)分析证实了磷、植物油和TOMAC分子之间形成分子间键。同时,在1.0M NaCl条件下,两段汽提工艺中磷的回收率接近96.5%。化学计量学研究表明,在磷的提取和溶出反应中,分别需要约1 mol的TOMAC和NaCl。综上所述,含TOMAC与植物油相互作用的新型绿色溶剂萃取法有望成为农业废水中磷的可持续除磷新途径之一。
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引用次数: 0
Fuzzy Intuitionistic Alpha Cut of B-Spline Curve Interpolation Modeling for Shoreline Island Data 岸线岛屿数据b样条曲线插值的模糊直觉Alpha切割建模
Q3 MULTIDISCIPLINARY SCIENCES Pub Date : 2023-10-19 DOI: 10.11113/mjfas.v19n5.3074
Arina Nabilah Jifrin, Rozaimi Zakaria, Isfarita Ismail
Traditional approaches are unable to handle the uncertainty data issue, which leads to inaccurate data analysis and prediction. Data with uncertainty are frequently collected during the data collection phase but cannot be directly used to create geometric models. Therefore, using intuitionistic alpha cuts for the uncertainty data, this paper discusses B-Spline curve interpolation modeling. To resolve the uncertain data and produce the mathematical model, fuzzy set theory, intuitionistic fuzzy sets, and geometry modeling are combined. Three main procedures are used in detail, the first of which is the application of fuzzy set theory to defined uncertainty data, followed by the use of an intuitionistic fuzzy set to take into account the membership, non-membership, and indeterminacy values of the alpha, and finally the fuzzification and defuzzification procedures. The B-spline curve interpolation function is used in geometric modeling to create mathematical geometry in the form of curves. As a result, several numerical examples are provided, along with their algorithms for producing the desired curve.
传统方法无法处理数据的不确定性问题,导致数据分析和预测不准确。在数据收集阶段经常收集不确定性数据,但不能直接用于创建几何模型。因此,本文对不确定性数据采用直觉alpha切割,讨论了b样条曲线插值建模。将模糊集理论、直觉模糊集理论和几何建模相结合,对不确定数据进行求解,建立数学模型。详细介绍了三个主要过程,首先是应用模糊集理论来定义不确定性数据,然后使用直觉模糊集来考虑alpha的隶属度,非隶属度和不确定性值,最后是模糊化和去模糊化过程。b样条曲线插值函数用于几何建模,以曲线的形式创建数学几何。因此,提供了几个数值例子,以及产生所需曲线的算法。
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引用次数: 0
期刊
Malaysian Journal of Fundamental and Applied Sciences
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