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Synthesizing of Alginate Coated-Silver Nanoparticles Core-Shell for Detecting of S-naproxen Enantiomer in Pharmaceutical Formulation 海藻酸盐包覆银纳米粒子核壳的合成及其对s -萘普生对映体的检测
Pub Date : 2023-09-21 DOI: 10.33640/2405-609x.3314
Abdolrasol Barazandeh, Ghasem Najafpour-Darz, Afshar Alihossein, Sohrab Kazemi
Core-shell nanoparticles were used in a unique direct UV-Vis spectrophotometric technique to detect the S-naproxen enantiomer. Silver nanoparticles (Ag NPs) covered with sodium alginate (Alg) shell, a naturally occurring biopolymer, made the core of the nanostructure. To name a few, TEM, FESEM, UV-Visible, DLS, ZP, AFM, XRD, EDX and FT-IR are among the analytical methods used to analyze the creation of the core-shell structure. Based on obtained results, spherical Ag@ Alg NPs with an average size of 27.4 nm (DTEM), hydrolytic size of 46 nm (DDLS) and surface charge of -60.9 mV were successfully synthesized. The effect of various reaction time and pH values on determining the s-naproxen enantiomer by Ag@ Alg NPs was investigated. Determining the maximum S-naproxen enantiomer was at a reaction time of 8 min and pH 8. According to the international council for the harmonization of technical requirements for pharmaceuticals for human use (ICH) guidelines, the detection limit and quantitative limit of S-naproxen enantiomer were determined to be 1.87x10-4 mol/L and 5.64 x 10-4 mol /L. This clearly indicates that the alginate-coated silver na-noparticle
采用核壳纳米颗粒直接紫外可见分光光度法测定s -萘普生对映体。银纳米粒子(Ag NPs)覆盖海藻酸钠(Alg)外壳,这是一种天然存在的生物聚合物,构成了纳米结构的核心。仅举几例,TEM、FESEM、UV-Visible、DLS、ZP、AFM、XRD、EDX和FT-IR都是用于分析核壳结构形成的分析方法。在此基础上,成功合成了平均尺寸为27.4 nm (DTEM)、水解尺寸为46 nm (DDLS)、表面电荷为-60.9 mV的球形Ag@ Alg NPs。研究了不同反应时间和pH值对Ag@ Alg NPs测定s-萘普生对映体的影响。测定s -萘普生对映体的最大值为反应时间为8 min, pH为8。根据国际人用药品技术要求协调理事会(ICH)指南确定s -萘普生对映体的检出限和定量限分别为1.87 × 10-4 mol/L和5.64 × 10-4 mol/L。这清楚地表明海藻酸盐包覆银钠粒子
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引用次数: 0
Eggshell-alginate composites (EACs) as eco-friendly adsorbents for Rhodamine B uptake from aqueous solutions 蛋壳-海藻酸盐复合材料(EACs)作为生态友好型吸附剂从水溶液中吸收罗丹明B
Pub Date : 2023-09-21 DOI: 10.33640/2405-609x.3317
Rusna di, Mar’atus Sholihah, Nurrahmi Handayani, Muhammad Ali Zulfikar
The contamination of wastewater by Rhodamine B (RhB) poses a significant environmental concern due to its negative impacts on aesthetics, ecosystems, and human well-being. This study successfully synthesized eco-friendly egg-shell-alginate composites (EACs) as adsorbents by combining alginate solution, eggshell powder, and a 2% CaCl2 solu-tion. Characterization techniques including FTIR, SEM, TGA, and SAA were employed to analyze the EACs. FTIR analysis revealed characteristic absorption peaks corresponding to -OH groups, C=O groups, C-O groups, and the pres-ence of CO32-. The structural analysis confirmed the physical mixture of functional groups from eggshells and alginate, resulting in a homogeneous EACs mixture. TGA analysis demonstrated the decomposition of eggshell calcium car-bonate (CaCO3), yielding calcium oxide (CaO) and carbon dioxide (CO2) within the 700-800°C temperature range. SAA results indicated that EACs exhibited a mesoporous structure (average pore diameter: 20-500 Å) and a higher sur-face area (6.102 m2/g) compared to eggshells. The adsorption capacity of EACs for RhB was investigated by evaluating contact time, adsorbent dosage, pH, and initial concentration. Characterization results validated the successful synthesis of EACs with enhanced thermal resistance compared to Ca-alginate. Sorption studies demonstrated the potential of EACs as effective adsorbents for RhB removal from aqueous solutions, following the Langmuir isotherm model with a maximum adsorption capacity of 151.51 mg/g. Furthermore, adsorption kinetics exhibited a pseudo-second-order mod-el. Thermodynamic analysis indicated that RhB adsorption onto EACs was exothermic (negative ΔHo) and spontaneous (negative ΔGo). The results underscore the potency of EACs as highly efficient adsorbents for the remediation of RhB-contaminated water bodies.
罗丹明B (RhB)对废水的污染因其对美学、生态系统和人类福祉的负面影响而引起了重大的环境问题。本研究以海藻酸盐溶液、蛋壳粉和2%的CaCl2溶液为吸附剂,成功合成了环保型蛋壳-海藻酸盐复合材料(EACs)。采用FTIR、SEM、TGA、SAA等表征技术对EACs进行分析。FTIR分析发现了- oh基团、C=O基团、C-O基团对应的特征吸收峰,以及CO32-的存在。结构分析证实了蛋壳和海藻酸盐中官能团的物理混合,得到了均匀的EACs混合物。TGA分析表明,蛋壳碳酸钙(CaCO3)在700-800℃的温度范围内分解,生成氧化钙(CaO)和二氧化碳(CO2)。SAA结果表明,与蛋壳相比,EACs具有介孔结构(平均孔径为20-500 Å)和更高的比表面积(6.102 m2/g)。通过考察接触时间、吸附剂用量、pH和初始浓度,考察了EACs对RhB的吸附能力。表征结果验证了EACs的成功合成,与海藻酸钙相比,EACs具有更强的耐热性。根据Langmuir等温吸附模型,EACs的最大吸附量为151.51 mg/g,吸附研究表明EACs是有效的吸附剂,可从水溶液中去除RhB。吸附动力学表现为准二阶模型。热力学分析表明,RhB在EACs上的吸附为放热吸附(负ΔHo)和自发吸附(负ΔGo)。结果表明,EACs作为高效吸附剂对rhb污染水体的修复具有重要作用。
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引用次数: 0
Multiple structural and functional annotations based in-silico characterization of Q9BRX8 protein 基于Q9BRX8蛋白的多种结构和功能注释的硅表征
Pub Date : 2023-09-09 DOI: 10.33640/2405-609x.3320
Eiman Zahid, Muhammad Farhan Sarwar
Numerous proteins found in humans are poorly understood because there is a dearth of experimental evidence. Hypothetical proteins (HPs) or uncharacterized proteins are the terms used to describe these proteins. In this work, one of these proteins, Q9BRX8, is investigated using in-silico or bioinformatics tools to reveal its significant properties. In this regard, NCBI for the sequence retrieval, ProtParam tool for analysis of physiochemical properties, SOPMA for secondary structure prediction, SWISS-Model for homology modelling, STRING for protein-protein interaction and HDOCK for protein-protein docking analysis among other tools, were incorporated. The physiochemical characteristics indicated that Q9BRX8, which has an instability score of 32.57, is a stable protein. It was identified in other cellular compartments, such as the cytosol, mitochondria, etc., where it may be betrothed in a variety of cellular functions, according to the sub-cellular localization studies. In addition, its secondary structure consists of high percentage of alpha helices (44.10%), among other components. Additionally, it was discovered through protein-protein interactions that this protein belongs to FAM213A family suggesting that it may function as antioxidant and affect bone resorption among other crucial functions. While, molecular docking analysis indicated that Q9BRX8 had a larger degree of similarity with the HLA-G protein, scoring -332.53kcal/mol. It can be hypothesized that the functions of Q9BRX8 and the HLA-G may be associated as a result of this similarity.
由于缺乏实验证据,人们对人体中发现的许多蛋白质知之甚少。假设的蛋白质(HPs)或未表征的蛋白质是用来描述这些蛋白质的术语。在这项工作中,使用计算机或生物信息学工具研究了其中一种蛋白质Q9BRX8,以揭示其重要特性。在这方面,结合NCBI的序列检索工具、ProtParam的理化性质分析工具、SOPMA的二级结构预测工具、SWISS-Model的同源性建模工具、STRING的蛋白-蛋白相互作用工具和HDOCK的蛋白-蛋白对接分析工具等。理化特性表明,不稳定性评分为32.57分的Q9BRX8是一种稳定蛋白。根据亚细胞定位研究,它在其他细胞区室中被发现,如细胞质、线粒体等,在那里它可能参与各种细胞功能。此外,其二级结构中α螺旋的比例较高(44.10%)。此外,通过蛋白-蛋白相互作用发现该蛋白属于FAM213A家族,提示其可能具有抗氧化剂和影响骨吸收等重要功能。而分子对接分析表明,Q9BRX8与HLA-G蛋白具有更大的相似性,评分为-332.53kcal/mol。可以假设Q9BRX8和HLA-G的功能可能由于这种相似性而相关。
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引用次数: 0
In vitro antioxidant, anti-inflammatory, and photoprotective activities of aqueous extract of the endemic plant Hammada scoparia L. from Algeria 阿尔及利亚特有植物东莨菪水提取物的体外抗氧化、抗炎和光保护活性
Pub Date : 2023-09-03 DOI: 10.33640/2405-609x.3310
Benine Chaima, D. A. Boutlelis, Laiche Ammar Touhami, Tlili Hajer, Tliba Ali, B. Abdelkarim, Najjaa Hanen
Abstract This study aimed to analyze the chemical profile and evaluate the biological activities of the aqueous extract of H. Scoparia, an endemic plant found in Southeastern Algeria. The aqueous extract was subjected to phytochemical screening, RP-HPLC, and FT-IR analysis. The anti-inflammatory activity was examined using the protein denaturation method, and the photoprotective activity was evaluated using UV-Visible spectrophotometry. The antioxidant activity was assessed using ABTS, DPPH, and FRAP assays. The study found the presence of various secondary metabolites such as polyphenols, tannins, and saponins. This study suggests that H. Scoparia extract has the potential as a natural source of bio-actives for developing drugs. The extract exhibited significant antioxidant activity. The study revealed that H. Scoparia extract demonstrated excellent photoprotective activity against UV, and significant biological activities in vitro.
摘要本研究旨在分析阿尔及利亚东南部特有植物Scoparia水提取物的化学成分并评价其生物活性。对水提取物进行植物化学筛选、RP-HPLC和FT-IR分析。用蛋白质变性法检测抗炎活性,用紫外-可见分光光度法评价光保护活性。使用ABTS、DPPH和FRAP测定法评估抗氧化活性。研究发现存在多种次生代谢产物,如多酚、单宁和皂苷。本研究表明,Scoparia提取物具有开发药物的天然生物活性物质来源的潜力。提取物表现出显著的抗氧化活性。研究表明,Scoparia提取物对紫外线具有良好的光保护活性,在体外具有显著的生物活性。
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引用次数: 0
Biogenesis Synthesis of ZnO NPs: Its adsorption and photocatalytic activity for removal of acid black 210 dye ZnO NPs的生物合成及其对酸性黑210染料的吸附和光催化活性
Pub Date : 2023-08-22 DOI: 10.33640/2405-609x.3315
Zahraa A. Najm, M. Atiya, A. K. Hassan
Abstract This study investigated the treatment of textile wastewater contaminated with Acid Black 210 dye (AB210) using zinc oxide nanoparticles (ZnO NPs) through adsorption and photocatalytic techniques. ZnO NPs were synthesized using a green synthesis process involving eucalyptus leaves as reducing and capping agents. The synthesized ZnO NPs were characterized using UV-Vis spectroscopy, SEM, EDAX, XRD, BET, Zeta potential, and FTIR techniques. The BET analysis revealed a specific surface area and total pore volume of 26.318 m 2 /g. SEM images confirmed the crystalline and spherical nature of the particles, with a particle size of 73.4 nm. A photoreactor was designed to facilitate the photo-degradation process. The study investigated the influence of key variables on the adsorption and photocatalytic break-down of AB210. The results indicated that under optimal conditions (AB210 concentration: 5 mg/L, ZnO NPs dosage: 0.75 g/L, pH: 5, and temperature: 45 °C), the removal efficiency after 180 minutes of adsorption was 62%. However, in the case of photo-degradation, complete removal of 5 mg/L AB210 was achieved within 30 minutes at a pH of 7, UV intensity of 24 W/m 2 , and temperature of 45 °C. The adsorption process exhibited the best fit with the pseudo-second-order kinetic model. Various adsorption isotherms, including Freundlich, Langmuir, Temkin, and Dubinin models, were studied, and the Langmuir isotherm provided the best fit to the experimental data (see Supplementary Materials). Fur-thermore, thermodynamic analysis indicated that the adsorption process was spontaneous, endothermic, and favorable, with Δ G°, Δ H°, and Δ S° values of -0.782 kJ/mol, 26.93 kJ/mol, and 0.086 kJ.mol/K, respectively
摘要本研究采用吸附和光催化技术,用氧化锌纳米粒子(ZnO NPs)处理酸性黑210染料(AB210)污染的纺织废水。采用桉树叶作为还原剂和封端剂的绿色合成工艺合成了ZnO纳米颗粒。利用UV-Vis光谱、SEM、EDAX、XRD、BET、Zeta电位和FTIR技术对合成的ZnO纳米颗粒进行了表征。BET分析显示比表面积和总孔体积为26.318 m2/g。SEM图像证实了颗粒的结晶和球形性质,颗粒尺寸为73.4nm。设计了一个光反应器来促进光降解过程。研究了关键变量对AB210吸附和光催化降解的影响。结果表明,在最佳条件下(AB210浓度:5mg/L,ZnO NPs用量:0.75g/L,pH:5,温度:45°C),吸附180分钟后的去除率为62%。然而,在光降解的情况下,在pH为7、紫外线强度为24W/m2和温度为45°C的条件下,5 mg/L AB210在30分钟内完全去除。吸附过程表现出与拟二阶动力学模型的最佳拟合。研究了各种吸附等温线,包括Freundlich、Langmuir、Temkin和Dubinin模型,Langmuir等温线与实验数据最为吻合(见补充材料)。此外,热力学分析表明,吸附过程是自发的、吸热的和有利的,ΔG°、ΔH°和ΔS°分别为-0.782kJ/mol、26.93kJ/mol和0.086kJ.mol/K
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引用次数: 0
Online Data Transmission Reduction Scheme for Energy Conservation in Wireless Video Sensor Networks 无线视频传感器网络中节能的在线数据传输缩减方案
Pub Date : 2023-08-22 DOI: 10.33640/2405-609x.3318
Iman K. Abbood, A. Idrees
Abstract Wireless Video Sensor Networks (WVSNs) are networks of low-cost, low-power camera sensor nodes. These nodes communicate locally and process information to meet an application's goal. WVSNs are extensively used in diverse monitoring applications, such as security, military, industrial, medical, and environmental monitoring. However, the transmission of large amounts of data collected by video sensor nodes in WVSNs poses challenges in terms of energy consumption, bandwidth usage, and network congestion. Reducing energy for processing and transmitting data in WVSNs is difficult due to the huge amount of sensed data in real-time. To address this issue, this paper proposes an Online Data Transmission Reduction Scheme (ODaTReS) for energy conservation in WVSNs. The data reduction by the ODaTReS is based on two phases: the sensing phase and the transmission phase. ODaTReS adapts the frame rate to limit the number of video frames captured during the sensing phase. It does this by using three efficient techniques: ORB (Oriented FAST and Rotated BRIEF), Brute-Force (BF) Matcher, and Grid-based Motion Statistics (GMS). During the transmission phase, we use an adaptive transmission threshold that is responsible for deciding whether to transmit the current captured frame or remove it. Several experiments are conducted to demonstrate the effectiveness of the ODaTReS. The proposed ODaTReS outperforms the FRABID method in terms of data reduction and energy consumption. The results reveal that ODaTReS reduced the transmitted data by 80%, compared to 43% for the FRABID method. This reduction in data transmission contributes to a decrease in the total energy consumed, which is reduced to 141.22 joules compared to the FRABID method, which consumes 173.16 joules of energy.
摘要无线视频传感器网络是由低成本、低功耗的摄像机传感器节点组成的网络。这些节点在本地进行通信并处理信息以满足应用程序的目标。WVSN广泛用于各种监控应用,如安全、军事、工业、医疗和环境监控。然而,视频传感器节点在WVSN中收集的大量数据的传输在能耗、带宽使用和网络拥塞方面带来了挑战。由于实时感测数据量巨大,因此难以减少WVSN中处理和传输数据的能量。为了解决这个问题,本文提出了一种用于WVSN节能的在线数据传输减少方案(ODaTReS)。ODaTReS的数据缩减基于两个阶段:传感阶段和传输阶段。ODaTReS调整帧速率以限制在感测阶段期间捕获的视频帧的数量。它通过使用三种有效的技术来实现这一点:ORB(定向FAST和旋转BRIEF)、Brute Force(BF)Matcher和基于网格的运动统计(GMS)。在传输阶段,我们使用一个自适应传输阈值来决定是发送还是删除当前捕获的帧。进行了几个实验来证明ODaTReS的有效性。所提出的ODaTReS在数据减少和能耗方面优于FRABID方法。结果表明,ODaTReS将传输数据减少了80%,而FRABID方法的数据减少了43%。这种数据传输的减少有助于减少消耗的总能量,与消耗173.16焦耳能量的FRABID方法相比,总能量减少到141.22焦耳。
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引用次数: 0
Ultrasound assisted comparative study of fucolam and so-dium alginate and impact on their physiochemical proper-ties using Box-Behnken Design 采用Box-Behnken设计对岩藻胶和海藻酸钠的超声辅助比较研究及其对其理化性质的影响
Pub Date : 2023-08-18 DOI: 10.33640/2405-609x.3319
U. Bagale, A. Kadi, Artem Malinin, Varisha Anjum, I. Potoroko
Abstract The article discusses about the possibility of comparing the impact of ultrasonic treatment on fucolam and sodium algi-nate. The purpose was to study the effect of micronization on the sulfated heteropolysaccharide fucolam, analyzing its dispersed state and accessibility by reducing its molecular weight and increasing antioxidant activity. The optimization of the micronization process was carried out using the Box-Behnken Design (BBD) method, with a sonication time ranging from 15 to 45 min, power ranging from 50 to 100 W/cm2, and temperature between 30 °C and 40 °C. The fixed lower fucolam concentration was 0.1%. The results illustrated that sonochemical treatment significantly decreased the molecular weight (Mw) of fucolam compared to sodium alginate. Using BBD, the ideal treatment conditions for fu-colam were 31 °C, 62 W/cm2, and 36 min, resulting in a lower molecular weight (180 kDa), particle size (231 nm), and antioxidant activity (AOA) of 81% compared to sodium alginate, which had an Mw of 2046 kDa and an AOA of 43%. Antioxidant activity tests showed a significant increase due to the sonication treatment. The findings suggest that soni-cation treatment may be a valuable strategy to lower fucolam levels with minimal structural damage, as observed in scanning microscope images
摘要本文探讨了超声处理对岩藻胶和海藻酸钠影响比较的可能性。研究微粉化对硫酸化杂多糖岩藻胶的影响,通过降低其分子量和提高其抗氧化活性来分析其分散状态和可及性。采用Box-Behnken设计(BBD)方法对微粉化工艺进行优化,超声时间为15 ~ 45 min,功率为50 ~ 100 W/cm2,温度为30 ~ 40℃。岩藻胶的固定下限浓度为0.1%。结果表明,与海藻酸钠相比,声化学处理显著降低了岩藻胶的分子量(Mw)。使用BBD,富柱的理想处理条件为31°C, 62 W/cm2, 36 min,与海藻酸钠(Mw为2046 kDa, AOA为43%)相比,富柱的分子量(180 kDa),粒径(231 nm)和抗氧化活性(AOA)为81%。抗氧化活性试验表明,超声处理显著提高了抗氧化活性。研究结果表明,正如扫描显微镜图像所观察到的那样,超声阳离子处理可能是一种有价值的策略,可以降低岩藻胶水平,同时使结构损伤最小
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引用次数: 0
Deep Learning-based CAD System for Predicting the COVID-19 X-ray Images 基于深度学习的新型冠状病毒x射线图像预测CAD系统
Pub Date : 2023-08-18 DOI: 10.33640/2405-609x.3316
Aqeel R. Talib, H. M. Ali
Abstract According to World Health Organization data, Coronavirus (COVID-19) has infected about 660, 378, 145 patients around the world. It is nonetheless difficult for physicians to detect COVID-19 infections out of CT or X-ray radiographs. Thus, several computer-aided diagnosis (CAD) systems based on deep learning and radiographs were developed to detect COVID-19 infections. However, the majority of approaches considered small datasets, which is ineligible to provide diverse COVID-19 radiographs. This work utilizes a massive number of X-ray radiographs, and compared standard CNN, DenseNet-121, and GoogLeNet for isolating COVID-19 infections out from normal and other pneumonia radiographs. The dataset in this work is large enough to evaluate the realistic performance of those models in labeling COVID-19 infections. Considering the time complexity, accuracy, precision, recall, and F1 score, the experimental results shows that the DenseNet-121 is not only the optimal model, but also there is superior for standard CNN compared to the second output of GoogLeNet, which is an unexplained phenomenon.
根据世界卫生组织的数据,冠状病毒(COVID-19)在全球感染了约660,378,145例患者。尽管如此,医生很难通过CT或x光片来检测COVID-19感染。因此,开发了几种基于深度学习和x光片的计算机辅助诊断(CAD)系统来检测COVID-19感染。然而,大多数方法考虑的是小数据集,这没有资格提供不同的COVID-19 x线片。这项工作使用了大量的x射线片,并比较了标准的CNN, DenseNet-121和GoogLeNet从正常和其他肺炎x射线片中分离出COVID-19感染。这项工作中的数据集足够大,可以评估这些模型在标记COVID-19感染方面的实际性能。从时间复杂度、准确度、精密度、召回率和F1分数等方面考虑,实验结果表明,DenseNet-121不仅是最优模型,而且与GoogLeNet的第二个输出相比,DenseNet-121在标准CNN上也有优势,这是一个无法解释的现象。
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引用次数: 0
Mutation-Induced Changes in the Stability, B-Cell Epitope, and Antigenicity of the Sars-Cov-2 Variant Spike Protein: A Comparative Computational Stud Sars-Cov-2变异刺突蛋白稳定性、b细胞表位和抗原性的突变诱导变化:比较计算研究
Pub Date : 2023-08-11 DOI: 10.33640/2405-609x.3311
N. M. Wijayanti, M. H. Widyananda, L. Muflikhah, N. Widodo
Abstract The spike (S) protein is a major antigenicity site that targets neutralizing antibodies and drugs. The growing number of S protein mutations has become a severe problem for developing effective vaccines. Here, we investigated four severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) variants that were the most infectious and widespread during the COVID-19 pandemic to determine the trends and patterns of mutation-induced changes in the stability, B-cell epitope, and antigenicity of the SARS-CoV-2 S protein. The data showed that the Beta and Gamma variants had three mutations on the receptor-binding domain (RBD), which is the specific site on the S protein for angiotensin-converting enzyme 2 (hACE2) binding. The Delta variant had only two mutations, whereas the Omicron variant had 15 mutations on the RBD. The results showed that the stability of the S protein varied and depended on the mutation type and that Gamma and Omicron are the most stable of the four variants analyzed. The S protein–hACE2 complexes of the Beta and Gamma variants were relatively stable after 20 ns of simulation compared with those of the Delta and Omicron variants. We predicted that the B-cell epitopes of the mutant S protein would be different from those of the wildtype. Moreover, the antigenicity of Omicron changed drastically compared with that of the other variants. Bioinformatics analysis and a molecular dynamic simulation revealed that the mutations affected the stability of the S protein. A large number of mutations do not always stabilize the S protein. Mutations in Omicron significantly altered the B-cell epitope and antigenicity, which decreased vaccine effectiveness. These findings provide insights into SARS-CoV-2 evolution for vaccine development.
刺突(S)蛋白是一种主要的抗原性位点,靶向中和抗体和药物。越来越多的S蛋白突变已经成为开发有效疫苗的一个严重问题。在这里,我们研究了在COVID-19大流行期间最具传染性和最广泛的四种SARS-CoV-2变异,以确定突变诱导的SARS-CoV-2蛋白稳定性、b细胞表位和抗原性变化的趋势和模式。数据显示Beta和Gamma变异在受体结合域(RBD)上有三个突变,RBD是S蛋白上血管紧张素转换酶2 (hACE2)结合的特异性位点。Delta变体只有两个突变,而Omicron变体在RBD上有15个突变。结果表明,S蛋白的稳定性随突变类型的不同而变化,其中Gamma和Omicron是4个变异中最稳定的。与Delta和Omicron变体相比,Beta和Gamma变体的S蛋白- hace2复合物在模拟20 ns后相对稳定。我们预测突变S蛋白的b细胞表位与野生型不同。此外,与其他变异相比,Omicron的抗原性发生了巨大变化。生物信息学分析和分子动力学模拟表明,突变影响了S蛋白的稳定性。大量的突变并不总能稳定S蛋白。Omicron突变显著改变了b细胞表位和抗原性,从而降低了疫苗的有效性。这些发现为疫苗开发提供了对SARS-CoV-2进化的见解。
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引用次数: 0
Representing quantum spins in different coordinate systems for modelling rigid body orientation 表示不同坐标系下的量子自旋以模拟刚体方向
Pub Date : 2023-08-06 DOI: 10.33640/2405-609x.3313
N. Zioui, Aicha Mahmoudi, M. Tadjine
Abstract Various methods for representing the spatial orientation and rotation of objects are presented and compared with the quantum bit state representation. By contrasting spherical, Euler angle, quaternion, and quantum spin coordinate systems, this work highlights important concepts regarding the rotation axis of the X gate. Several ambiguities and incomplete definitions associated with the qubit state representation are discussed, such as the spin around the qubit itself and the explanation of the considered rotation angles and signs. A mathematical analysis of the physical meaning of each eigenstate is provided along with a new comprehensive and meaningful YPR-based 3D representation of a qubit state.
摘要提出了表示物体空间方向和旋转的各种方法,并与量子比特状态表示进行了比较。通过对比球面、欧拉角、四元数和量子自旋坐标系,这项工作突出了关于X门旋转轴的重要概念。讨论了与量子位状态表示相关的几个模糊性和不完整定义,例如量子位本身的自旋以及对所考虑的旋转角度和符号的解释。提供了对每个本征态的物理意义的数学分析,以及基于YPR的量子位状态的新的全面且有意义的3D表示。
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引用次数: 0
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Karbala International Journal of Modern Science
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