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Fulltext A short comparative study on modified Duckworth-Lewis methods

Asif M, Ahmadian A, Azeem M, Pansera BA

PLoS One, 2021;16(11):e0259423.
PMID: 34748588 DOI: 10.1371/journal.pone.0259423

In this paper, the Duckworth-Lewis-Stern (DLS) and Duckworth-Lewis-McHale-Asif (DLMA) methods of revising targets for a team batting in second innings in an interrupted Limited Overs International Cricket (LOI), are examined for fairness. The work discusses four significant points: flexibility, intuition, simplicity, and goodness-of-fit of the two mentioned methods. The research findings have shown that the DLMA method is better in every aspect than the DLS method. Further, the data of 1764 ODI matches played during 2004-2021 to investigate the compatibility of the DLMA for high run-scoring One-Day International matches. The results show that DLMA is compatible to the situation of the well-above run-scoring situation.
Bounds on the Partition Dimension of Convex Polytopes

Liu JB, Nadeem MF, Azeem M

Comb Chem High Throughput Screen, 2022;25(3):547-553.
PMID: 33280591 DOI: 10.2174/1386207323666201204144422

AIMS AND OBJECTIVE: The idea of partition and resolving sets play an important role in various areas of engineering, chemistry and computer science such as robot navigation, facility location, pharmaceutical chemistry, combinatorial optimization, networking, and mastermind game.
METHODS: In a graph, to obtain the exact location of a required vertex, which is unique from all the vertices, several vertices are selected; this is called resolving set, and its generalization is called resolving partition, where selected vertices are in the form of subsets. A minimum number of partitions of the vertices into sets is called partition dimension.
RESULTS: It was proved that determining the partition dimension of a graph is a nondeterministic polynomial time (NP) problem. In this article, we find the partition dimension of convex polytopes and provide their bounds.
CONCLUSION: The major contribution of this article is that due to the complexity of computing the exact partition dimension, we provide the bounds and show that all the graphs discussed in the results have partition dimensions either less or equals to 4, but not greater than 4.
Curve Fitting for Damage Evolution through Regression Analysis for the Kachanov-Rabotnov Model to the Norton-Bailey Creep Law of SS-316 Material

Sattar M, Othman AR, Akhtar M, Kamaruddin S, Khan R, Masood F, et al.

Materials (Basel), 2021 Sep 23;14(19).
PMID: 34639910 DOI: 10.3390/ma14195518

In a number of circumstances, the Kachanov-Rabotnov isotropic creep damage constitutive model has been utilized to assess the creep deformation of high-temperature components. Secondary creep behavior is usually studied using analytical methods, whereas tertiary creep damage constants are determined by the combination of experiments and numerical optimization. To obtain the tertiary creep damage constants, these methods necessitate extensive computational effort and time to determine the tertiary creep damage constants. In this study, a curve-fitting technique was proposed for applying the Kachanov-Rabotnov model into the built-in Norton-Bailey model in Abaqus. It extrapolates the creep behaviour by fitting the Kachanov-Rabotnov model to the limited creep data obtained from the Omega-Norton-Bailey regression model and then simulates beyond the available data points. Through the Omega creep model, several creep strain rates for SS-316 were calculated using API-579/ASME FFS-1 standards. These are dependent on the type of the material, the flow stress, and the temperature. In the present work, FEA creep assessment was carried out on the SS-316 dog bone specimen, which was used as a material coupon to forecast time-dependent permanent plastic deformation as well as creep behavior at elevated temperatures and under uniform stress. The model was validated with the help of published experimental creep test data, and data optimization for sensitivity study was conducted by applying response surface methodology (RSM) and ANOVA techniques. The results showed that the specimen underwent secondary creep deformation for most of the analysis period. Hence, the method is useful in predicting the complete creep behavior of the material and in generating a creep curve.
Fulltext Macro and Micro Routes to High Performance Bioplastics: Bioplastic Biodegradability and Mechanical and Barrier Properties

Attallah OA, Mojicevic M, Garcia EL, Azeem M, Chen Y, Asmawi S, et al.

Polymers (Basel), 2021 Jun 30;13(13).
PMID: 34208796 DOI: 10.3390/polym13132155

On a score sheet for plastics, bioplastics have a medium score for combined mechanical performance and a high score for biodegradability with respect to counterpart petroleum-based plastics. Analysis quickly confirms that endeavours to increase the mechanical performance score for bioplastics would be far more achievable than delivering adequate biodegradability for the recalcitrant plastics, while preserving their impressive mechanical performances. Key architectural features of both bioplastics and petroleum-based plastics, namely, molecular weight (Mw) and crystallinity, which underpin mechanical performance, typically have an inversely dependent relationship with biodegradability. In the case of bioplastics, both macro and micro strategies with dual positive correlation on mechanical and biodegradability performance, are available to address this dilemma. Regarding the macro approach, processing using selected fillers, plasticisers and compatibilisers have been shown to enhance both targeted mechanical properties and biodegradability within bioplastics. Whereas, regarding the micro approach, a whole host of bio and chemical synthetic routes are uniquely available, to produce improved bioplastics. In this review, the main characteristics of bioplastics in terms of mechanical and barrier performances, as well as biodegradability, have been assessed-identifying both macro and micro routes promoting favourable bioplastics' production, processability and performance.
Fulltext Effect of Sand Fines Concentration on the Erosion-Corrosion Mechanism of Carbon Steel 90° Elbow Pipe in Slug Flow

Khan R, H Ya H, Pao W, Majid MAA, Ahmed T, Ahmad A, et al.

Materials (Basel), 2020 Oct 16;13(20).
PMID: 33081078 DOI: 10.3390/ma13204601

Erosion-corrosion of elbow configurations has recently been a momentous concern in hydrocarbon processing and transportation industries. The carbon steel 90° elbows are susceptible to the erosion-corrosion during the multiphase flow, peculiarly for erosive slug flows. This paper studies the erosion-corrosion performance of 90° elbows at slug flow conditions for impact with 2, 5, and 10 wt.% sand fines concentrations on AISI 1018 carbon steel exploiting quantitative and qualitative analyses. The worn surface analyses were effectuated by using laser confocal and scanning electron microscopy. The experiment was conducted under air and water slug flow containing sand fines of 50 µm average size circulated in the closed flow loop. The results manifest that with the increase of concentration level, the erosion-corrosion magnitude increases remarkably. Sand fines instigate the development of perforation sites in the form of circular, elongated, and coalescence pits at the elbow downstream and the corrosion attack is much more obvious with the increase of sand fines concentration. Another congruent finding is that cutting and pitting corrosion as the primitive causes of material degradation, the 10 wt.% sand fines concentration in carrier phase increases the erosion-corrosion rate of carbon steel up to 93% relative to the 2 wt.% sand fines concentration in slug flow.
Fulltext Isolation of Antidiabetic Withanolides from Withania coagulans Dunal and Their In Vitro and In Silico Validation

Maher S, Choudhary MI, Saleem F, Rasheed S, Waheed I, Halim SA, et al.

Biology (Basel), 2020 Jul 30;9(8).
PMID: 32751610 DOI: 10.3390/biology9080197

Withania coagulans (W. coagulans) is well-known in herbal medicinal systems for its high biological potential. Different parts of the plant are used against insomnia, liver complications, asthma, and biliousness, as well as it is reported to be sedative, emetic, diuretic, antidiabetic antimicrobial, anti-inflammatory, antitumor, hepatoprotective, antihyperglycemic, cardiovascular, immuno-suppressive and central nervous system depressant. Withanolides present in W. coagulans have attracted an immense interest in the scientific field due to their diverse therapeutic applications. The current study deals with chemical and biological evaluation of chloroform, and n-butanol fractions of W. coagulans. The activity-guided fractionation of both extracts via multiple chromatographic steps and structure elucidation of pure isolates using spectroscopies (NMR, mass spectrometry, FTIR and UV-Vis) led to the identification of a new withanolide glycoside, withacogulanoside-B (1) from n-butanol extract and five known withanolides from chloroform extract [withanolid J (2), coagulin E (3), withaperuvin C (4), 27-hydroxywithanolide I (5), and ajugin E (6)]. Among the tested compounds, compound 5 was the most potent α-glucosidase inhibitor with IC50 = 66.7 ± 3.6 µM, followed by compound 4 (IC50: 407 ± 4.5 µM) and compound 2 (IC50: 683 ± 0.94 µM), while no antiglycation activity was observed with the six isolated compounds. Molecular docking was used to predict the binding potential and binding site interactions of these compounds as α-glucosidase inhibitors. Consequently, this study provides basis to discover specific antidiabetic compounds from W. coagulans.
Fulltext Pharmacological inhibition of endoplasmic reticulum stress mitigates osteoporosis in a mouse model of hindlimb suspension

Al-Daghestani H, Qaisar R, Al Kawas S, Ghani N, Rani KGA, Azeem M, et al.

Sci Rep, 2024 Feb 27;14(1):4719.
PMID: 38413677 DOI: 10.1038/s41598-024-54944-7

Hindlimb suspension (HLS) mice exhibit osteoporosis of the hindlimb bones and may be an excellent model to test pharmacological interventions. We investigated the effects of inhibiting endoplasmic reticulum (ER) stress with 4-phenyl butyrate (4-PBA) on the morphology, physicochemical properties, and bone turnover markers of hindlimbs in HLS mice. We randomly divided 21 male C57BL/6J mice into three groups, ground-based controls, untreated HLS group and 4-PBA treated group (HLS+4PBA) (100mg/kg/day, intraperitoneal) for 21 days. We investigated histopathology, micro-CT imaging, Raman spectroscopic analysis, and gene expression. Untreated HLS mice exhibited reduced osteocyte density, multinucleated osteoclast-like cells, adipocyte infiltration, and reduced trabecular striations on micro-CT than the control group. Raman spectroscopy revealed higher levels of ER stress, hydroxyproline, non-collagenous proteins, phenylalanine, tyrosine, and CH2Wag as well as a reduction in proteoglycans and adenine. Furthermore, bone alkaline phosphatase and osteocalcin were downregulated, while Cathepsin K, TRAP, and sclerostin were upregulated. Treatment with 4-PBA partially restored normal bone histology, increased collagen crosslinking, and mineralization, promoted anti-inflammatory markers, and downregulated bone resorption markers. Our findings suggest that mitigating ER stress with 4-PBA could be a therapeutic intervention to offset osteoporosis in conditions mimicking hindlimb suspension.
Exploring Acyl Thiotriazinoindole Based Pharmacophores: Design, Synthesis, and SAR Studies with Molecular Docking and Biological Activity Profiling against Urease, α-amylase, α-glucosidase, Antimicrobial, and Antioxidant Targets

Haider MB, Saeed A, Ahmed A, Azeem M, Ismail H, Mehmood S, et al.

Protein J, 2024 Sep 02.
PMID: 39222239 DOI: 10.1007/s10930-024-10229-6

A diminutive chemical library of acyl thiotriazinoindole (ATTI) based bioactive scaffolds was synthesized, instigated by taking the economical starting material Isatin, through a series of five steps. Isatin was first nitrated followed by the attachment of pentyl moiety via nucleophilic substitution reaction. The obtained compound was reacted with thiosemicarbazide to obtain thiosemicarbazone derivative, which was eventually cyclized using basic conditions in water as solvent. Finally, the reported series was obtained through reaction of nitrated thiotriazinoindole moiety with differently substituted phenacyl bromides. The synthesized compounds were characterized using NMR spectroscopy and elemental analysis. Finally, the synthesized motifs were scrutinized for their potential to impede urease, α-glucosidase, DPPH, and α-amylase. Compound 5 h with para cyano group manifested the most pivotal biological activity among all, displaying IC50 values of 29.7 ± 0.8, 20.5 ± 0.5 and 36.8 ± 3.9 µM against urease, α-glucosidase, and DPPH assay, respectively. Simultaneously, for α-amylase compound 5 g possessing a p-CH3 at phenyl ring unfolded as most active, with calculated IC50 values 90.3 ± 1.1 µM. The scaffolds were additionally gauged for their antifungal and antibacterial activity. Among the tested strains, 5d having bromo as substituent exhibited the most potent antibacterial activity, while it also demonstrated the highest potency against Aspergillus fumigatus. Other derivatives 5b, 5e, 5i, and 5j also exhibited dual inhibition against both antibacterial and antifungal strains. The interaction pattern of derivatives clearly displayed their SAR, and their docking scores were correlated with their IC50 values. In molecular docking studies, the importance of interactions like hydrogen bonding was further asserted. The electronic factors of various substituents engendered variety of interactions between the ligands and targets implying their importance in the structures of the synthesized heterocyclic scaffolds. To conclude, the synthesized compounds had satisfactory biological activity against various important targets. Further studies are therefore encouraged by attachment of different substitutions in the structure at various positions to enhance the activity of these compounds.
Fulltext Essential oils of aromatic Egyptian plants repel nymphs of the tick Ixodes ricinus (Acari: Ixodidae)

El-Seedi HR, Azeem M, Khalil NS, Sakr HH, Khalifa SAM, Awang K, et al.

Exp Appl Acarol, 2017 Sep;73(1):139-157.
PMID: 28864886 DOI: 10.1007/s10493-017-0165-3

Due to the role of Ixodes ricinus (L.) (Acari: Ixodidae) in the transmission of many serious pathogens, personal protection against bites of this tick is essential. In the present study the essential oils from 11 aromatic Egyptian plants were isolated and their repellent activity against I. ricinus nymphs was evaluated Three oils (i.e. Conyza dioscoridis L., Artemisia herba-alba Asso and Calendula officinalis L.) elicited high repellent activity in vitro of 94, 84.2 and 82%, respectively. The most active essential oil (C. dioscoridis) was applied in the field at a concentration of 6.5 µg/cm2 and elicited a significant repellent activity against I. ricinus nymphs by 61.1%. The most repellent plants C. dioscoridis, C. officinalis and A. herba-alba yielded essential oils by 0.17, 0.11 and 0.14%, respectively. These oils were further investigated using gas chromatography-mass spectrometry analysis. α-Cadinol (10.7%) and hexadecanoic acid (10.5%) were the major components of C. dioscoridis whereas in C. officinalis, α-cadinol (21.2%) and carvone (18.2%) were major components. Artemisia herba-alba contained piperitone (26.5%), ethyl cinnamate (9.5%), camphor (7.7%) and hexadecanoic acid (6.9%). Essential oils of these three plants have a potential to be used for personal protection against tick bites.