Journal of Applied Science & Process Engineering最新文献

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Naturally Occurring Rhamnopyranosides as Anticancer Agents: Molecular Docking and ADMET Study 天然鼠李糖苷作为抗癌剂:分子对接和ADMET研究
Journal of Applied Science & Process Engineering Pub Date : 2022-10-31 DOI: 10.33736/jaspe.5065.2022
M. Islam, S. Sultan, Takbir Hossain, Md. Mohin Hasnain, M. Islam, A. Azad
{"title":"Naturally Occurring Rhamnopyranosides as Anticancer Agents: Molecular Docking and ADMET Study","authors":"M. Islam, S. Sultan, Takbir Hossain, Md. Mohin Hasnain, M. Islam, A. Azad","doi":"10.33736/jaspe.5065.2022","DOIUrl":"https://doi.org/10.33736/jaspe.5065.2022","url":null,"abstract":"After heart disease, cancer continues to be the second most prevalent cause of death in the USA. Several chemotherapeutic treatments (drugs) are available for cancer that use powerful chemicals to kill the body's rapidly proliferating cells. However, recent research disclosed that many clinically viable anticancer drugs have been developed with the help of chemicals originating from plants. A number of phytochemicals isolated from plants possess rhamnopyranoses and some of them are acyl rhamnopyranoses. Encouragingly, such compounds were reported for their cell proliferation and migration inhibition activities against invasive human triple-negative breast cancer cells. In this study, four naturally occurring rhamnopyranose esters were checked against three cancer-related proteins (PDB IDs: 3TJM, 4OAR, and 5FGK) via molecular docking. Rhamnose compounds 3-6 showed better binding energy compared to the related standard drugs in use in the hospitals. Compound 6 was found highly potential against all the proteins (-8.5 to -11.3 kcal/mol). ADMET studies have also been discussed in this respect. This study indicated that natural rhamnopyranose esters could be used to stop the spreading of cancer cells like other reported sugar fatty acid esters (SFAEs).","PeriodicalId":159511,"journal":{"name":"Journal of Applied Science & Process Engineering","volume":"23 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134043219","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Application of Mahalanobis-Taguchi System in Liver Function Profile of Methadone Flexi Dispensing Program 马氏-田口系统在美沙酮柔性配药项目肝功能分析中的应用
Journal of Applied Science & Process Engineering Pub Date : 2022-10-31 DOI: 10.33736/jaspe.4283.2022
S. Zaini, S. Saad, M. Y. Abu
{"title":"Application of Mahalanobis-Taguchi System in Liver Function Profile of Methadone Flexi Dispensing Program","authors":"S. Zaini, S. Saad, M. Y. Abu","doi":"10.33736/jaspe.4283.2022","DOIUrl":"https://doi.org/10.33736/jaspe.4283.2022","url":null,"abstract":"Patients under the methadone flexi dispensing (MFlex) program are required to do blood tests like liver function profile. A doctor assesses 3 parameters like Alk phosphatase, ALT (SGPT), and AST (SGOT) to ensure the patient has a liver problem. Consequently, the existing system does not have a stable ecosystem towards classification and optimization. The objective is to apply the Mahalanobis-Taguchi system (MTS) in the MFlex program. The data is collected at Bandar Pekan clinic with 34 parameters. Two types of MTS methods are used like RT-Method and T-Method for classification and optimization respectively. The average Mahalanobis distance (MD) of healthy is 1.00 and unhealthy is 352.58. A positive degree of contribution has only 1 parameter. 15 unknown samples have been diagnosed. Type 2 of 6 modifications has been selected as the best-proposed solution. In conclusion, a pharmacist from Bandar Pekan clinic confirmed that MTS can solve problems in the classification and optimization of MFlex program.","PeriodicalId":159511,"journal":{"name":"Journal of Applied Science & Process Engineering","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129044438","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Review of Particle Detachment and Attachment in Porous Media 多孔介质中颗粒分离与附着的研究进展
Journal of Applied Science & Process Engineering Pub Date : 2022-10-31 DOI: 10.33736/jaspe.4719.2022
N. Ogolo, M. Onyekonwu
{"title":"Review of Particle Detachment and Attachment in Porous Media","authors":"N. Ogolo, M. Onyekonwu","doi":"10.33736/jaspe.4719.2022","DOIUrl":"https://doi.org/10.33736/jaspe.4719.2022","url":null,"abstract":"Particle detachment, migration and attachment are common processes in porous media, especially in unconsolidated formations. In this review, the processes are discussed and equations describing the processes are presented. Two particle detachment processes analyzed are the hydrodynamic forces and electric double-layer forces. The particle detachments equations were critically examined to determine if they reflect crucial factors that trigger particle detachment in porous media. Essential factors that are missing in the equation are the effect of pressure and the level of rock consolidation. Incorporating the level of rock cementation and the effect of pressure in the equations will make the models more empirical and less theoretical. For particle attachment, Van der Waals forces, adhesion, particle attachment efficiency, and straining processes and their equations are considered. The colloidal forces are all embraced in terms of capturing important elements that mobilize particles in porous media, however, the practical application of the models can pose a challenge. For particle adsorption on grain surfaces, it is recommended that the effect of pressure and temperature be studied.","PeriodicalId":159511,"journal":{"name":"Journal of Applied Science & Process Engineering","volume":"40 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126577564","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Characterisation of Flexural Properties of Glass Fibre/Pineapple Leaf Fibre (PALF) Hybrid Composite 玻璃纤维/菠萝叶纤维(PALF)杂化复合材料的弯曲性能研究
Journal of Applied Science & Process Engineering Pub Date : 2022-04-30 DOI: 10.33736/jaspe.4602.2022
M. Ismail, M. Mohamad, Leanna Mohd Yunos, Mohammad Hazim Mohamad Hamdan
{"title":"Characterisation of Flexural Properties of Glass Fibre/Pineapple Leaf Fibre (PALF) Hybrid Composite","authors":"M. Ismail, M. Mohamad, Leanna Mohd Yunos, Mohammad Hazim Mohamad Hamdan","doi":"10.33736/jaspe.4602.2022","DOIUrl":"https://doi.org/10.33736/jaspe.4602.2022","url":null,"abstract":"The use of natural resource materials has gained awareness among industries recently. Today, replacing the material with something more environmentally friendly, especially from waste natural products like pineapple leaf fibre (PALF), is a top concern. This research aims to look at the flexural properties of a glass fibre/pineapple leaf fibre (PALF) hybrid composite. The hand layup and cold compression methods were used to manufacture the hybrid composite plates, which provide 30 wt% of fibre and 70 wt% of the matrix. The form of the hybrid composite was unidirectional with a size of 30 cm 30 cm 3 cm and sandwich stacking. Universal testing equipment was used to conduct the flexural test. With a flexural strength of 290.11 MPa, 5 wt% PALF and 25 wt% bi-directional glass fibre were found to have the maximum flexural strength.","PeriodicalId":159511,"journal":{"name":"Journal of Applied Science & Process Engineering","volume":"33 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116747383","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Electricity Demand Pattern and Supply Availability On Nigeria Grid System 尼日利亚电网系统的电力需求模式和供应可用性
Journal of Applied Science & Process Engineering Pub Date : 2022-04-30 DOI: 10.33736/jaspe.4264.2022
T. Ale, A. Adeyemi
{"title":"Electricity Demand Pattern and Supply Availability On Nigeria Grid System","authors":"T. Ale, A. Adeyemi","doi":"10.33736/jaspe.4264.2022","DOIUrl":"https://doi.org/10.33736/jaspe.4264.2022","url":null,"abstract":"This paper presents the analysis of electricity transmitted and demand on Nigeria's electricity grid system from the year 2018 to 2020 to give the present progress of the electricity system in Nigeria. The daily electricity generated and transmitted data, daily distribution companies (DISCOs) electricity demand and consumption data, and data of transmission lines connected to other neighbouring countries (international lines) within the year 2018 and 2020 were used for the analysis. Also, the extrapolation of the monthly energy of each of the data obtained was computed. The analysis was done and graphs and results obtained showed that daily average electricity day-ahead demand by DISCOs varied majorly between 3.5GW to 4GW with a corresponding increase above 4GW and the total daily day-ahead electricity demand by DISCOs varied majorly between 80GW and 90GW from 2018 to 2020. But despite this demand, the study showed that distribution companies did not at any time pick up to their declared load demand despite being the major electricity stakeholder in electricity delivery to consumers. Also, some generating station units were not generating to their capacity due to fault and gas constraints and some generating stations were connected to the grid without using free governor mode (control required for the generating units to respond to the state of electricity demand on the grid in real-time). The study recommends that the government should ensure proper monitoring and impose necessary sanctions if needs be on any electricity stakeholders and participants who violate the Nigeria Electricity Supply Market Rules for effective and the Nigeria grid code created for efficient power delivery. The government should, as a matter of urgency, start the expansion of her generating stations as well as developing new ones considering other sources for power generation such as wind and solar which are predominately abundant in the northern part of the country.","PeriodicalId":159511,"journal":{"name":"Journal of Applied Science & Process Engineering","volume":"487 2","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114016157","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Investigation of Sodium Benzoate and Potassium Sorbate in Anti-Diabetic Herbal Drugs 抗糖尿病中药中苯甲酸钠和山梨酸钾的研究
Journal of Applied Science & Process Engineering Pub Date : 2022-04-30 DOI: 10.33736/jaspe.4544.2022
N. Islam, M. Faruque, R. Zamir
{"title":"Investigation of Sodium Benzoate and Potassium Sorbate in Anti-Diabetic Herbal Drugs","authors":"N. Islam, M. Faruque, R. Zamir","doi":"10.33736/jaspe.4544.2022","DOIUrl":"https://doi.org/10.33736/jaspe.4544.2022","url":null,"abstract":"The objective of the study was to assess sodium benzoate and potassium sorbate in some anti-diabetic herbal drugs (ADHDs) collected from local markets using UV-Vis spectrophotometric method. Analytes were measured in bulk and finished drug formulations at 224 nm for Sodium benzoate and 254.5 nm for potassium sorbate. The calibration curve obeyed Beer’s law in the range of 0-40 ppm for sodium benzoate and 0-50 ppm for potassium sorbate and passed the goodness of fit evaluation. Limit of detection, LOD and limit of quantification, LOQ for sodium benzoate was 0.13 pm and 0.40 ppm respectively. The limit of detection, LOD and limit of quantification country is unknown. To conclude, whether the herbal drugs are safe to consume in terms of preservatives, more assessment is required., LOQ for potassium sorbate were 0.28 pm and 0.85 ppm respectively. No samples crossed safety limits for sodium benzoate and potassium sorbate. Overall picture of preservative content in herbal drugs of the country is unknown and, in this study, we identified both preservatives in the drug samples. To conclude, whether the herbal drugs are safe to consume in terms of preservatives, more assessment is required.","PeriodicalId":159511,"journal":{"name":"Journal of Applied Science & Process Engineering","volume":"144 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"127305757","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Evaluation of Heterocyclic Aromatic Compound Dye (Methylene Blue) on Chitosan Adsorbent Sourced from African Snail Shell: Modelling and Optimization Studies 非洲蜗牛壳壳聚糖吸附剂对杂环芳香族化合物染料(亚甲基蓝)的评价:建模与优化研究
Journal of Applied Science & Process Engineering Pub Date : 2022-04-30 DOI: 10.33736/jaspe.4464.2022
V. E. Bello, Olaosebikan Abidoye Olafadehan
{"title":"Evaluation of Heterocyclic Aromatic Compound Dye (Methylene Blue) on Chitosan Adsorbent Sourced from African Snail Shell: Modelling and Optimization Studies","authors":"V. E. Bello, Olaosebikan Abidoye Olafadehan","doi":"10.33736/jaspe.4464.2022","DOIUrl":"https://doi.org/10.33736/jaspe.4464.2022","url":null,"abstract":"In this article, the modelling and optimization of five operational process parameters involving initial concentration, adsorbent dosage, contact time, temperature and pH of the solution as it affects the treatment of aqueous solution contaminated with methylene blue, a heterocyclic aromatic compound, on chitosan sourced from African Snail Shell were studied using response surface methodology (RSM) and artificial neural network (ANN) techniques coupled with genetic algorithm. The single and interactive effects of the variables were examined by way of analysis of variance (ANOVA). A comparison of the model techniques was done and an evaluation was carried out with some selected error functions. Both modelling and optimization tools performed creditably well. However, the hybrid ANN-GA proved to be a superior modelling and optimization technique with excellent generalization ability which gave an average absolute deviation between the experimental and predicted data of both response variables considered. The insightful relative importance of the process variables based on the renowned Garson and Olden’s algorithm methods coupled with step by step approach initiated in the Matlab environment were equally investigated. The findings from this study revealed in clear terms that pH and initial concentrations were the most influential parameters and the maximum value of 99.28% of methylene blue removed at optimum conditions affirmed that the chitosan adsorbent is viable for the treatment of effluents from the textile industry. \u0000 ","PeriodicalId":159511,"journal":{"name":"Journal of Applied Science & Process Engineering","volume":"38 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121194359","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
Viscosities, Free Energies of Activation and their Excess Properties in the Binary Mixtures of Some Monoalkanolamines with Acetonitrile between 303.15 and 323.15 K: Experimental and Correlative Approach 303.15 ~ 323.15 K范围内单烷醇胺与乙腈二元混合物的黏度、自由活化能及其过量性质:实验及相关方法
Journal of Applied Science & Process Engineering Pub Date : 2022-04-30 DOI: 10.33736/jaspe.4581.2022
Muhammad A. R. Khan, M. Mehedi Hasan Rocky, Md. Ariful Islam, Faisal I Chowdhury, M. Shamsuddin Ahmed, Shamim Akhtar
{"title":"Viscosities, Free Energies of Activation and their Excess Properties in the Binary Mixtures of Some Monoalkanolamines with Acetonitrile between 303.15 and 323.15 K: Experimental and Correlative Approach","authors":"Muhammad A. R. Khan, M. Mehedi Hasan Rocky, Md. Ariful Islam, Faisal I Chowdhury, M. Shamsuddin Ahmed, Shamim Akhtar","doi":"10.33736/jaspe.4581.2022","DOIUrl":"https://doi.org/10.33736/jaspe.4581.2022","url":null,"abstract":"Viscosities (h) of three binary non-aqueous systems of ACN + MEA, + MMEA and + MEEA have been measured in the whole range of compositions at temperatures ranging between 303.15 and 323.15 K at an interval of 5 K. At different compositions, deviations in viscosity (Dh), free energy (ΔG‡) of activation for viscous flow along its excess values (ΔG‡E) were calculated from experimental ρ andh data. For all systems, h vs. x2 initially changed very slowly, but with the increment of solute concentration h were found to rise quite rapidly. The values of Dh were largely positive and they formed a sharp maximum invariably at the highly alkanolamine-rich regions. All positive values of Dh followed the increasing order as: ACN + MMEA > ACN + MEA > ACN + MEEA. The order of DG‡E at the maximum point was ACN + MMEA > ACN + MEA > ACN + MEEA. For the correlative model, zero parameter relations: Bingham, Kendall- Munroe, Gambill, and Eyring relations, one parameter relations: Hind, Grunberg-Nissan, Frenkel, Wijk, Katti-Chaudhri, Tamura Kurata and two as well as three parameter-based models: Heric, Ausländer, McAllister (3-body) and McAllister (4-body) Equation and the Jouyban-Acree model (JA) were employed to correlate viscosities. Ausländer equation fit the best for: ACN + MEA.  McAlliester 4-body fit the best for ACN + MMEA and ACN + MEEA. All the above results were attempted to be interpreted in terms of the strength and order of self-association, intra- as well as intermolecular hydrogen bonding via OH···O or OH···N and the effect due to steric hindrance of the concerned alkanolamine molecules and interstitial accommodation of ACN into alkanolamine network.","PeriodicalId":159511,"journal":{"name":"Journal of Applied Science & Process Engineering","volume":"10 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132498715","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Non-Stationary Vibratory Signatures Bearing Fault Detection Using Alternative Novel Kurtosis-based Statistical Analysis 基于新峰度统计分析的非平稳振动特征轴承故障检测
Journal of Applied Science & Process Engineering Pub Date : 2022-04-30 DOI: 10.33736/jaspe.4594.2022
N. A. Kasim, Mohd Ghafran Mohamed, M. Nuawi
{"title":"Non-Stationary Vibratory Signatures Bearing Fault Detection Using Alternative Novel Kurtosis-based Statistical Analysis","authors":"N. A. Kasim, Mohd Ghafran Mohamed, M. Nuawi","doi":"10.33736/jaspe.4594.2022","DOIUrl":"https://doi.org/10.33736/jaspe.4594.2022","url":null,"abstract":"Vibration signature-based analysis to detect and diagnose is the commonly used technique in the monitoring of rotating machinery. Reliable features will determine the efficacy of diagnosis and prognosis results in the field of machine condition monitoring. This study intends to produce a reliable set of signal features through an alternative statistical characteristic before available relevant prediction methods. Given the above advantage of Kurtosis, a newly formed feature extraction analysis is adapted to extract a single coefficient out of EMD-based pre-processing vibration signal data for bearing fault detection monitoring. Each set of IMFs data is analyzed using the Z-rotation method to extract the data coefficient. Afterwards, the Z-rot coefficients, RZ are presented on the base of the specification of the defect vibratory signal to observe which IMF data set has the highest correlation over the specification given. Throughout the analysis studies, the RZ shows some significant non-linearity in the measured impact. For that reason, the Z-rotation method has effectively determined the strong correlation that existed in some of the IMFs components of the bearing fault. It corresponds to the first IMF for the inner race and the rolling ball specified a strong RZ coefficient with the highest correlation coefficient of R2 = 0.9653 (1750 rpm) and R2 = 0.9518 (1772 rpm), respectively. Whereas, the 4th IMF decomposition for the outer race bearing fault scored is R2 = 0.8865 (1772 rpm). Meanwhile, the average R-squared score in the correlation between RZ coefficient and bearing fault throughout the study is R2 = 0.8915. Thus, it can be utilized to be the alternative feature extraction findings for monitoring bearing conditions.","PeriodicalId":159511,"journal":{"name":"Journal of Applied Science & Process Engineering","volume":"117 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124181209","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
In Silico Investigation of Some Glucose-Aspirin as COX Inhibitor 一些葡萄糖-阿司匹林作为COX抑制剂的硅片研究
Journal of Applied Science & Process Engineering Pub Date : 2022-04-30 DOI: 10.33736/jaspe.4065.2022
Md. Atiquel Islam Chowdhury, Tasnim Rahman Anisa, S. Bhattacharjee, Suman Das
{"title":"In Silico Investigation of Some Glucose-Aspirin as COX Inhibitor","authors":"Md. Atiquel Islam Chowdhury, Tasnim Rahman Anisa, S. Bhattacharjee, Suman Das","doi":"10.33736/jaspe.4065.2022","DOIUrl":"https://doi.org/10.33736/jaspe.4065.2022","url":null,"abstract":"Monosaccharide derived glucose-aspirin (GA) can be prepared by conjugation between glucose and aspirin (ASA). The GA is reported to show higher analgesic and anti-inflammatory properties than ASA itself. In this perspective, six GAs which are composed of β-D-glucopyranose, ASA and acetyl groups are considered for the present investigations. The glucose unit in these GAs possesses regular chair conformation with slightly lower dipole moments. Molecular orbitals indicated a higher HOMO-LUMO gap of the molecules. All GAs showed more prone to electrophilic interactions than aspirin. Overall, glucose-aspirin esters are found to have better non-steroidal anti-inflammatory properties than the original aspirin. These GAs are better inhibitors of cyclooxygenase-2 (COX2, 5f19) compared to cyclooxygenase-1 (COX1, 6y3c) indicating that these GAs are potential drug candidates for COX2 related inflammation. Additionally, aspirinyl group at C-6 or C-3 position of the glucopyranose unit is found more suitable for anti-inflammatory activities as compared to C-4 position.","PeriodicalId":159511,"journal":{"name":"Journal of Applied Science & Process Engineering","volume":"16 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"127834391","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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