Journal of King Saud University - Science最新文献

Copper and chromium binding by Pseudomonas aeruginosa strain PA01 for implications of heavy metal detoxification and soil remediation: A computational approach 铜绿假单胞菌菌株PA01结合铜和铬对重金属解毒和土壤修复的影响：计算方法

IF 3.7 3区综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES

Journal of King Saud University - Science

Pub Date : 2024-12-01 DOI: 10.1016/j.jksus.2024.103552

Shanmuga Priya Ramasamy , Priya Sundararajan , Muthukrishnan Pallikondaperumal , Ponmurugan Karuppiah , Saminathan Kayarohanam , Natarajan Arumugam , Ling Shing Wong , Sinouvassane Djearamane

Heavy metal pollution poses significant environmental and health risks due to the toxic effects of metals like copper and chromium at elevated concentrations. Despite their essential roles in trace amounts, these metals can be highly toxic. Bacteria such as Pseudomonas aeruginosa are promising candidates for bioremediation due to their robustness and adaptability. The objective of this study was to analyze and identify potential copper and chromium binding genes involved in metal detoxification in Pseudomonas aeruginosa PA01. The heavy metal binding protein identified as ferredoxin using MALDI-TOF/PMF-MS analysis was further characterized. The structure of the ferredoxin protein was elucidated using the SWISS-MODEL tool. Metal-binding domains were validated through a pattern search against UniProtKB/Swiss-Prot and UniProtKB/TrEMBL databases using the ScanProsite tool. Comparative sequence alignments were conducted between the copper-binding NosD gene of P. aeruginosa, the ferredoxin gene of P. aeruginosa PA01, and the chromium-binding iron hydrogenase 1 gene of Clostridium chromiireducens. The SWISS-MODEL analysis revealed alpha helices and beta sheets with key metal-coordinating amino acids (cysteine, glutamic acid, aspartic acid, histidine, and methionine). The ScanProsite tool confirmed the presence of a 4Fe-4S ferredoxin-type iron-sulphur binding domain essential for coordinating chromium and copper ions. Sequence alignments showed a 64.29 % similarity between the NosD gene and ferredoxin gene, and a 67 % identity between the iron hydrogenase 1 gene and ferredoxin gene, with correlations in amino acid residues involved in metal binding. These findings suggest that the ferredoxin gene could effectively bind heavy metal ions, offering potential applications in bioremediation of metal-polluted soils using Pseudomonas species. This study contributes to sustainable agricultural productivity by facilitating the targeted remediation of heavy metal-contaminated soils through biological means.

由于铜和铬等金属在浓度升高时的毒性作用，重金属污染对环境和健康构成重大风险。尽管这些微量金属具有重要作用，但它们可能具有剧毒。铜绿假单胞菌等细菌由于其稳健性和适应性而成为生物修复的有希望的候选者。本研究的目的是分析和鉴定铜绿假单胞菌PA01中参与金属解毒的潜在铜和铬结合基因。利用MALDI-TOF/PMF-MS进一步鉴定重金属结合蛋白为铁氧还蛋白。利用SWISS-MODEL工具分析了铁氧还蛋白的结构。通过使用ScanProsite工具对UniProtKB/Swiss-Prot和UniProtKB/TrEMBL数据库进行模式搜索来验证金属结合结构域。对铜绿假单胞菌铜结合NosD基因、铜绿假单胞菌PA01铁氧还蛋白基因和铬还原梭菌铁结合氢化酶1基因进行了比较序列比对。SWISS-MODEL分析显示α螺旋和β薄片具有关键的金属配位氨基酸（半胱氨酸、谷氨酸、天冬氨酸、组氨酸和蛋氨酸）。ScanProsite工具证实了4Fe-4S铁还原蛋白型铁硫结合域的存在，这对铬和铜离子的配位至关重要。序列比对显示，NosD基因与铁氧还蛋白基因的相似性为64.29%，铁氢化酶1基因与铁氧还蛋白基因的相似性为67%，且与金属结合相关的氨基酸残基存在相关性。这些发现表明，铁氧还蛋白基因可以有效结合重金属离子，在利用假单胞菌修复金属污染土壤方面具有潜在的应用前景。该研究有助于通过生物手段对重金属污染土壤进行有针对性的修复，从而促进农业生产力的可持续发展。

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引用次数: 0

Colorimetric detection of anionic surfactant using polydiacetylene/zinc (II)/zinc oxide nanocomposites with unique yellow-to-red color transition 采用独特黄红过渡的聚二乙炔/锌(II)/氧化锌纳米复合材料比色法检测阴离子表面活性剂

IF 3.7 3区综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES

Journal of King Saud University - Science

Pub Date : 2024-12-01 DOI: 10.1016/j.jksus.2024.103557

Watsapon Yimkaew , Johannes Allwang , Christine M. Papadakis , Rakchart Traiphol , Nisanart Traiphol

Polydiacetylenes (PDAs) have extensively received attention as colorimetric sensors because of their stimulus-responsive properties. This contribution presents a simple technique to modify polydiacetylene/zinc (II) ion/zinc oxide (PDA/Zn²⁺/ZnO) nanocomposites for colorimetric detection of an anionic surfactant. Incorporation of cetyltrimethylammonium bromide (CTAB) into the nanocomposite structure is achieved through a simple mixing process in an aqueous medium. Interestingly, the resultant PDA/Zn²⁺/ZnO-CTAB sensors exhibit a unique yellow-to-red color change in response to the anionic surfactant, sodium dodecyl sulfate (SDS). Furthermore, the colorimetric detection of SDS at different concentrations can be achieved by varying the added CTAB concentrations. The detectable concentration range of SDS in this study extends from 0.3 to 7 mM. Our study offers a simple and low-cost method to fabricate colorimetric sensors for anionic surfactant detection using PDA materials.

聚二乙炔（pda）由于其刺激响应特性而作为比色传感器受到广泛关注。本文提出了一种简单的技术来修饰聚二乙炔/锌（II）离子/氧化锌（PDA/Zn2+/ZnO）纳米复合材料，用于阴离子表面活性剂的比色检测。将十六烷基三甲基溴化铵（CTAB）掺入纳米复合材料结构中是通过在水介质中进行简单的混合过程实现的。有趣的是，所得的PDA/Zn2+/ZnO-CTAB传感器在阴离子表面活性剂十二烷基硫酸钠（SDS）的作用下表现出独特的黄到红的颜色变化。此外，通过改变添加CTAB的浓度，可以实现不同浓度下SDS的比色检测。本研究中SDS的检测浓度范围为0.3 ~ 7 mM。本研究提供了一种使用PDA材料制作阴离子表面活性剂检测比色传感器的简单、低成本方法。

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引用次数: 0

Corrigendum to “Interferon-stimulated gene (ISG12a) suppresses hepatitis B virus replication in Huh 7 cells line” [J. King Saud Univ. Sci. 36(9) (2024) 103377] 干扰素刺激基因（ISG12a）抑制乙型肝炎病毒在Huh 7细胞系中的复制[J]。沙特国王大学学报，36(9)(2024)103377]

IF 3.7 3区综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES

Journal of King Saud University - Science

Pub Date : 2024-12-01 DOI: 10.1016/j.jksus.2024.103554

Hafiz Ullah , Amin Ullah , Hadia Gul , Rahat Ullah Khan , Junaid Ahmad , Rafa Almeer , Khurshid Alam , Muhammad Ayaz , Muhammad Ajmal Khan , Zafar Abbass Shah

引用次数: 0

Nano-based herbal Mahkota Dewa (Phaleria macrocarpa) for pre-eclampsia: A histological study on placental and blood changes 纳米草药大戟草治疗先兆子痫：胎盘和血液变化的组织学研究

IF 3.7 3区综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES

Journal of King Saud University - Science

Pub Date : 2024-12-01 DOI: 10.1016/j.jksus.2024.103534

Leo Jumadi Simanjuntak , Cheryl Grace Pratiwi Rumahorbo

Background

Phaleria macrocarpa, a medicinal plant native to Indonesia, can potentially manage oxidative stress and inflammation—key factors in pre-eclampsia. This study investigates its efficacy as a complementary therapy for pre-eclampsia.

Materials and Methods

Sixty Wistar rats (30 male, 30 females; 120–180 g) were housed at Universitas Sumatera Utara. After a two-week acclimatization, confirmed pregnant female rats were divided into six groups: C- (normal), C+ (pre-eclampsia, untreated), C1 (Nifedipine 10 mg/kg BW), T1 (Mahkota Dewa 180 mg/kg BW), T2 (360 mg/kg BW), and T3 (720 mg/kg BW). Treatment groups received daily injections of Prednisone (1.5 mg/kg BW) and 6 % NaCl for 14 days. Pre-eclampsia was confirmed with blood pressure readings of 140/90 mmHg. Blood samples were analyzed for superoxide dismutase (SOD), malondialdehyde (MDA), VEGF, and sFlt-1. Placental samples were assessed for caspase-3, −8, and −10 expression using immunohistochemistry.

Results

The nano-herbal formulation significantly reduced oxidative stress (lower MDA, higher SOD), restored angiogenic balance (lower sFlt-1, higher VEGF), and decreased apoptosis markers (caspase-3, −8, −10).

Conclusion

Nano-herbal Mahkota Dewa shows promise as a therapeutic option for pre-eclampsia. It effectively reduces oxidative stress, improves angiogenic balance, and provides protection against placental apoptosis.

背景：原产于印度尼西亚的药用植物大樱草可以潜在地控制氧化应激和炎症关键因素在子痫前期。本研究探讨其作为子痫前期补充治疗的疗效。材料与方法Wistar大鼠60只，雄性30只，雌性30只；120-180克)被安置在苏门答腊北方大学。经2周适应后，将确认怀孕的雌性大鼠分为6组：C-组（正常）、C+组（子痫前期，未经治疗）、C1组（硝苯地平10 mg/kg BW）、T1组（麻花180 mg/kg BW）、T2组（360 mg/kg BW）、T3组（720 mg/kg BW）。治疗组每日注射强的松（1.5 mg/kg BW）和6% NaCl，连续14 d。先兆子痫的血压读数为140/90 mmHg。分析血液样本超氧化物歧化酶（SOD）、丙二醛（MDA）、VEGF和sFlt-1。应用免疫组织化学方法检测胎盘样品中caspase-3、- 8和- 10的表达。结果纳米草药配方显著降低氧化应激（降低MDA，升高SOD），恢复血管生成平衡（降低sFlt-1，升高VEGF），降低凋亡标志物（caspase-3,−8,−10）。结论纳米草药马科他是治疗先兆子痫的理想选择。它有效地减少氧化应激，改善血管生成平衡，并提供保护，防止胎盘凋亡。

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引用次数: 0

Sustainable nanoparticles of Non-Zero-valent iron (nZVI) production from various biological wastes 从各种生物废物中可持续生产非零价铁纳米颗粒

IF 3.7 3区综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES

Journal of King Saud University - Science

Pub Date : 2024-12-01 DOI: 10.1016/j.jksus.2024.103553

T. Sathish , Jolly Masih , Anirudh Gupta , Anuj Kumar , L. Raja , Vikash Singh , Abdullah M. Al-Enizi , Bidhan Pandit , Manish Gupta , N. Senthilkumar , Mohammad Yusuf

Given the growing importance of biological wastes (such as leaves from pomegranate, green tea, oak, lemon, orange, peach, kiwi, and neem) based iron nanoparticles over the past ten years and their applications in the environment, it is important to investigate new methods for nanoparticle production. Significant research has been conducted in this field as synthesizing these materials now requires careful consideration of green chemistry principles, minimization of disposal, cleaner solvents, energy efficiency, and caring precursor ingredients. The goal of this work is to evaluate the characteristics of environmentally friendly, sustainable non-zero-valent Iron (nZVI) nanoparticle production from different tree’s’ leaves. The requirements required for a product for environmental cleanup were taken into consideration when examining size, form, reactivity, and aggregation propensity. Three categories can be formed from the results of extracts in terms of antioxidant measurements (reported concentration of Fe (II)): >60 mmol/L, 20 mmol/L to 40 mmol/L, and 2 mmol/L to 5 mmol/L. Neem, oak, and green tea leaves yield the highest effects when compared to other tree leaves. It is possible to inject a different emulsion into the contaminated zone that contains nZVI, vegetable oil, and water. The best leaf extracts and operating conditions for generating sustainable nanoparticles from the bio-wastes of plant leaves must be chosen in order to use green nZVIs in environmental cleanup. These environmentally friendly nZVI nanoparticles can be used to treat impure waters to get rid of heavy metals and can use as an emulsion for paints.

鉴于过去十年来生物废弃物（如石榴、绿茶、橡树、柠檬、橙子、桃子、猕猴桃和楝树的叶子）基铁纳米颗粒及其在环境中的应用日益重要，研究纳米颗粒生产的新方法非常重要。在这一领域进行了重要的研究，因为合成这些材料现在需要仔细考虑绿色化学原理，最小化处置，更清洁的溶剂，能源效率和关心前体成分。这项工作的目的是评估从不同树木的叶子中生产环境友好、可持续的非零价铁（nZVI）纳米颗粒的特性。在检查产品的尺寸、形式、反应性和聚集倾向时，考虑了环境清理所需的要求。根据提取物的抗氧化测量结果（报告的铁（II）浓度）可以形成三类：60 mmol/L， 20 mmol/L至40 mmol/L和2 mmol/L至5 mmol/L。与其他树叶相比，印度楝树、橡树和绿茶的效果最高。可以向污染区注入含有nZVI、植物油和水的不同乳液。为了将绿色nZVIs用于环境净化，必须选择从植物叶片生物废弃物中产生可持续纳米颗粒的最佳叶片提取物和操作条件。这些对环境友好的nZVI纳米颗粒可用于处理不纯净的水以去除重金属，并可用作涂料的乳液。

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引用次数: 0

Review: Merging from traditional to potential novel breast cancer biomarkers 回顾：从传统乳腺癌生物标记物到潜在新型乳腺癌生物标记物的融合

IF 3.7 3区综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES

Journal of King Saud University - Science

Pub Date : 2024-11-24 DOI: 10.1016/j.jksus.2024.103551

Hanan Alismail

Breast cancer biomarkers are the main player in decision-making in diagnosis, prognosis, and treatment. Estrogen receptor (ER), progesterone receptor (PR), and human epidermal growth factor receptor 2 (HER2) are well-known in breast cancer management. Additionally, the Ki-67 protein is used as a tumor proliferation indicator to asses the cancer aggressiveness. Recently, the field has been rapidly integrating novel biomarkers to develop precise, personalized with high effectiveness in patient care. A group of merging biomarkers, including genomic and transcriptomic signatures, circulating tumor cells (CTCs), cell-free DNA (cfDNA), tumor-infiltrating lymphocytes (TILs), and immune checkpoint proteins such as PD-L1, all showed promising toward revealing tumor behavior, treatment response, and potential metastatic spread. microRNAs (miRNAs) and long non-coding RNAs (lncRNAs) are merging as new potential diagnostic tools. All mentioned merging innovative biomarkers showed promising results, yet challenges remain in their validation, standardization, and integration into routine clinical practice. This review will highlight the transition from traditional to novel strategies, developing more effective treatments that improve breast cancer patients’ outcomes and survival.

乳腺癌生物标志物是诊断、预后和治疗决策的主要依据。雌激素受体（ER）、孕激素受体（PR）和人表皮生长因子受体 2（HER2）在乳腺癌治疗中是众所周知的。此外，Ki-67 蛋白被用作肿瘤增殖指标，以评估癌症的侵袭性。最近，该领域正在迅速整合新型生物标记物，以开发精确、个性化、高效的患者护理方法。包括基因组和转录组特征、循环肿瘤细胞（CTCs）、无细胞DNA（cfDNA）、肿瘤浸润淋巴细胞（TILs）和免疫检查点蛋白（如PD-L1）在内的一组合并生物标志物都显示出揭示肿瘤行为、治疗反应和潜在转移扩散的前景。所有提到的合并创新生物标志物都显示出良好的效果，但在其验证、标准化和融入常规临床实践方面仍存在挑战。本综述将重点介绍从传统策略到新型策略的转变，从而开发出更有效的治疗方法，改善乳腺癌患者的预后和生存率。

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引用次数: 0

Short-term wind power prediction based on IBOA-AdaBoost-RVM 基于 IBOA-AdaBoost-RVM 的短期风力发电预测

IF 3.7 3区综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES

Journal of King Saud University - Science

Pub Date : 2024-11-22 DOI: 10.1016/j.jksus.2024.103550

Yongliang Yuan , Qingkang Yang , Jianji Ren , Kunpeng Li , Zhenxi Wang , Yanan Li , Wu Zhao , Haiqing Liu

This study introduces an innovative model, namely IBOA-AdaBoost-RVM, which leverages the Improved Butterfly Optimization Algorithm (IBOA), Adaptive Boosting (AdaBoost), and Relevance Vector Machine (RVM). This model is used to solve the problem of low precision of wind power prediction. Initially, normalization is applied to reduce the influence of varying data dimensions. Subsequently, input variables are determined through the Pearson correlation method. Lastly, the efficacy of the introduced model is assessed across four distinct seasonal monthly data sets. The observed outcomes indicate that the proposed model outperforms other models in terms of evaluation metrics, with the average R², RMSE, MAE, and MAPE values across the four datasets being 0.954, 10.403, 7.032, and 0.645, respectively, show that the proposed method has potential in the field of wind power prediction.

本研究介绍了一种创新模型，即 IBOA-AdaBoost-RVM 模型，它利用了改进的蝴蝶优化算法（IBOA）、自适应提升（AdaBoost）和相关性向量机（RVM）。该模型用于解决风能预测精度低的问题。首先，对数据进行归一化处理，以减少不同数据维度的影响。随后，通过皮尔逊相关法确定输入变量。最后，通过四个不同季节的月度数据集对所引入模型的功效进行评估。观察结果表明，所提出的模型在评价指标方面优于其他模型，四个数据集的平均 R2、RMSE、MAE 和 MAPE 值分别为 0.954、10.403、7.032 和 0.645，表明所提出的方法在风力发电预测领域具有潜力。

引用次数: 0

Effect of heat generation on MHD Maxwell fluid flow on a stretching cylinder embedded in a porous medium along with impact of radiation 热量产生对嵌入多孔介质的拉伸圆柱体上 MHD 麦克斯韦流体流动的影响以及辐射的影响

IF 3.7 3区综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES

Journal of King Saud University - Science

Pub Date : 2024-11-22 DOI: 10.1016/j.jksus.2024.103530

Umadevi Raj , Prabhakar Sagadevan , Nazek Alessa

This study addresses the critical problem of understanding Maxwell fluids’ thermal and flow behavior in the occurrence of magnetohydrodynamics (MHD), radiation, and heat generation over a stretching cylinder, which is of significant importance in various industrial applications such as polymer processing and heat exchangers. The novelty of this work lies in its detailed exploration of the curvature parameter (α_e) and its influence on the flow dynamics, extending beyond the scope of previous literature. The governing equations, incorporating the impacts of MHD, radiation, and heat generation, are derived and subsequently simplified using similarity transformations to convert them into ordinary differential equations. These equations are then solved numerically via the bvp4c solver in MATLAB. The results are presented through tables and graphical representations to deliver clear insights into the behavior of key non-dimensional parameters. Quantitative findings reveal that the temperature profile of the fluid increases with higher heat generation and radiation, with specific enhancements observed on both flat plates (curvature parameter α_e = 0) and cylindrical surfaces (α_e = 1). Our results are consistent with existing studies, validating the robustness of our numerical approach.

这项研究解决了一个关键问题，即如何理解麦克斯韦流体在拉伸圆柱体上发生磁流体动力学（MHD）、辐射和发热时的热和流动行为，这在聚合物加工和热交换器等各种工业应用中具有重要意义。这项研究的新颖之处在于详细探讨了曲率参数（αe）及其对流动动力学的影响，超出了以往文献的研究范围。研究得出了包含 MHD、辐射和发热影响的控制方程，随后使用相似性转换将其简化为常微分方程。然后通过 MATLAB 中的 bvp4c 求解器对这些方程进行数值求解。结果通过表格和图形表示法呈现，让人清楚地了解关键非尺寸参数的行为。定量研究结果表明，流体的温度曲线随着发热量和辐射量的增加而增加，在平板（曲率参数 αe = 0）和圆柱表面（αe = 1）上都观察到了具体的增强。我们的结果与现有研究一致，验证了我们的数值方法的稳健性。

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引用次数: 0

Optimizing structure-property models of three general graphical indices for thermodynamic properties of benzenoid hydrocarbons 优化苯类碳氢化合物热力学性质的三种通用图形指数的结构-性质模型

IF 3.7 3区综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES

Journal of King Saud University - Science

Pub Date : 2024-11-19 DOI: 10.1016/j.jksus.2024.103541

Suha Wazzan , Sakander Hayat , Wafi Ismail

<div><div>Cheminformatics is an interdisciplinary field that combines principles of chemistry, computer science, and information technology to process, store, analyze, and interpret chemical data. One area of cheminformatics is quantitative structure–property relationship (QSPR) modeling which is a computational approach that correlates the structural attributes of chemical compounds with their physical, chemical, or biological properties to predict the behavior and characteristics of new or untested compounds. Structure descriptors deliver contemporary mathematical tools required for QSPR modeling. One of a significant class of such descriptors is graph-based descriptors known as graphical descriptors. A degree-based graphical descriptor/invariant of a <span><math><mi>υ</mi></math></span>-vertex graph <span><math><mrow><mi>Ω</mi><mo>=</mo><mrow><mo>(</mo><msub><mrow><mi>V</mi></mrow><mrow><mi>Ω</mi></mrow></msub><mo>,</mo><msub><mrow><mi>E</mi></mrow><mrow><mi>Ω</mi></mrow></msub><mo>)</mo></mrow></mrow></math></span> has a general structure <span><math><mrow><mi>G</mi><msub><mrow><mi>D</mi></mrow><mrow><mi>d</mi></mrow></msub><mo>=</mo><msub><mrow><mo>∑</mo></mrow><mrow><mi>i</mi><mi>j</mi><mo>∈</mo><msub><mrow><mi>E</mi></mrow><mrow><mi>Ω</mi></mrow></msub></mrow></msub><mi>π</mi><mfenced><mrow><msub><mrow><mi>deg</mi></mrow><mrow><msub><mrow><mi>x</mi></mrow><mrow><mi>i</mi></mrow></msub></mrow></msub><mo>,</mo><msub><mrow><mi>deg</mi></mrow><mrow><msub><mrow><mi>x</mi></mrow><mrow><mi>j</mi></mrow></msub></mrow></msub></mrow></mfenced></mrow></math></span>, where <span><math><mi>π</mi></math></span> is bivariate symmetric map, and <span><math><msub><mrow><mi>deg</mi></mrow><mrow><msub><mrow><mi>x</mi></mrow><mrow><mi>i</mi></mrow></msub></mrow></msub></math></span> is the degree of vertex <span><math><mrow><msub><mrow><mi>x</mi></mrow><mrow><mi>i</mi></mrow></msub><mo>∈</mo><msub><mrow><mi>V</mi></mrow><mrow><mi>Ω</mi></mrow></msub></mrow></math></span>. For <span><math><mrow><mi>α</mi><mo>∈</mo><mi>R</mi><mo>∖</mo><mrow><mo>{</mo><mn>0</mn><mo>}</mo></mrow></mrow></math></span>, if <span><math><mrow><mi>π</mi><mo>=</mo><msup><mrow><mrow><mo>(</mo><msub><mrow><mi>deg</mi></mrow><mrow><msub><mrow><mi>x</mi></mrow><mrow><mi>i</mi></mrow></msub></mrow></msub><mo>×</mo><msub><mrow><mi>deg</mi></mrow><mrow><msub><mrow><mi>x</mi></mrow><mrow><mi>j</mi></mrow></msub></mrow></msub><mo>)</mo></mrow></mrow><mrow><mi>α</mi></mrow></msup></mrow></math></span> (resp. <span><math><mrow><mi>π</mi><mo>=</mo><msup><mrow><mrow><mo>(</mo><msub><mrow><mi>deg</mi></mrow><mrow><msub><mrow><mi>x</mi></mrow><mrow><mi>i</mi></mrow></msub></mrow></msub><mo>+</mo><msub><mrow><mi>deg</mi></mrow><mrow><msub><mrow><mi>x</mi></mrow><mrow><mi>j</mi></mrow></msub></mrow></msub><mo>)</mo></mrow></mrow><mrow><mi>α</mi></mrow></msup></mrow></math></span>, then <span><math><mrow><mi>G</mi><msub><mrow><mi>D</mi></mrow><mrow><mi>d</mi></mrow></msub></mrow></math></span> is called

化学信息学是一个跨学科领域，它结合了化学原理、计算机科学和信息技术，用于处理、存储、分析和解释化学数据。定量结构-性能关系（QSPR）建模是化学信息学的一个领域，它是一种计算方法，将化合物的结构属性与其物理、化学或生物特性相关联，以预测新的或未经测试的化合物的行为和特性。结构描述符提供了 QSPR 建模所需的现代数学工具。其中一类重要的描述符是基于图形的描述符，即图形描述符。υ-顶点图 Ω=（VΩ,EΩ）的基于度的图形描述符/常量具有一般结构 GDd=∑ij∈EΩπdegxi,degxj，其中 π 是双变量对称图，degxi 是顶点 xi∈VΩ 的度。对于 α∈R∖{0}，如果 π=(degxi×degxj)α （或者 π=(degxi+degxj)α），那么 GDd 称为 Ω 的一般积连接性 PCα （或者和连接性 SCα）索引。此外，一般松博指数 SOα 具有 π=（degxi2×degxj2）α 结构。通过选择热容量 ΔH 和熵 E 作为热力学性质的代表，我们在本文中找到了最佳的 α 值，该值能使预测器 GDd∈{PCα,SCα,SOα}在预测苯类碳氢化合物的 ΔH 和 E 时发挥最大潜力。为此，我们采用了离散优化和多元回归分析等工具。这反过来又彻底解决了文献中提出的两个悬而未决的问题。

引用次数: 0

Deciphering the role of exogenously-applied vanillic acid in regulating drought stress tolerance in pea (Pisum sativum L.): Key growth and physio-biochemical attributes 解密外源施用的香草酸在调节豌豆（Pisum sativum L.）干旱胁迫耐受性中的作用：关键生长和生理生化属性

IF 3.7 3区综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES

Journal of King Saud University - Science

Pub Date : 2024-11-17 DOI: 10.1016/j.jksus.2024.103544

Abdul Rahman , Nudrat Aisha Akram , Muhammad Ashraf , Abdulaziz Abdullah Alsahli , Parvaiz Ahmad

To investigate the impact of exogenously applied vanillic acid (VA) in mitigating the adverse effects of drought stress, a greenhouse experiment was conducted on pea plants (Pisum sativum L.). The pea seeds were primed for 14 h in varying concentrations (0, 0.5, 1.0, 2.0, 3.0, 4.0, 5.0, and 6.0 mM) of VA Then, thirty-five days old pea plants were subjected to control (100 % field capacity) and water deficit conditions (60 % F.C.). After thirty days of water stress treatments, the data showed a notable reduction in shoot and root fresh and dry weights, shoot and root lengths, and chlorophyll contents. While, water deficit stress led to an increase in leaf free proline, total phenolics, glycinebetaine (GB), ascorbic acid AsA) as well as the activities of catalase (CAT), superoxide dismutase (SOD) and peroxidase (POD) enzymes. We observed that seed priming with various concentrations of vanillic acid resulted in significant enhancement in shoot and root fresh and dry weights, shoot and root lengths, chlorophyll contents, proline, total phenolics, GB, AsA and the activities of POD, SOD and CAT enzymes of pea plants. Of varying concentrations of VA, 2.0 and 4.0 mM VA were more effective in improving the plant morphology and physio-biochemical metabolites of pea plants. So the results of the present study suggested that the improvement in growth and different physio-biochemical characteristics can be attributed to the VA-induced upregulation of osmoprotection and oxidative defense system of pea plants.

为了研究外源香草酸（VA）在减轻干旱胁迫不利影响方面的作用，我们对豌豆植物（Pisum sativum L.）进行了温室实验。将豌豆种子在不同浓度（0、0.5、1.0、2.0、3.0、4.0、5.0 和 6.0 mM）的香草酸中浸泡 14 小时，然后将 35 天大的豌豆植株置于对照（100% 田间容纳量）和缺水条件（60% F.C.）下。经过三十天的水分胁迫处理后，数据显示豌豆的嫩枝和根的鲜重和干重、嫩枝和根的长度以及叶绿素含量都明显下降。而缺水胁迫导致叶片游离脯氨酸、总酚、甘氨酸甜菜碱（GB）、抗坏血酸（AsA）以及过氧化氢酶（CAT）、超氧化物歧化酶（SOD）和过氧化物酶（POD）活性增加。我们观察到，用不同浓度的香草酸对种子进行预处理后，豌豆植株的芽和根的鲜重和干重、芽和根的长度、叶绿素含量、脯氨酸、总酚、GB、AsA 以及 POD、SOD 和 CAT 酶的活性都有显著提高。在不同浓度的 VA 中，2.0 mM 和 4.0 mM VA 对改善豌豆植株的形态和生理生化代谢物更有效。因此，本研究的结果表明，豌豆植物的生长和不同的生理生化特征的改善可归因于 VA 诱导的渗透保护和氧化防御系统的上调。

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引用次数: 0