The current work involves the synthesis of amalgamated heterocyclic scaffolds embracing pyrazolone and triazole nuclei. The suggested methodology leads to streaming in the targeted synthesis in a multicomponent reaction manner resulting in 91% yield of the structural motifs. This strategy makes use of the click reaction mechanism of copper-catalyzed azide-alkyne (CuAAC) cycloaddition. The structures of all the synthesized compounds were ascertained considering spectro-analytical data from 1H NMR, ¹³C NMR, and FTIR and Mass studies. Subsequently, molecular docking studies were performed taking into account the P. gingivalis as the heme binding targeted protein.

The mechanism and regioselectivity of 1,3-dipolar reaction of 2-azido-N-(4-diazenylphenyl) acetamide and an alkyne have been studied in gas phase and in DMSO using the B3LYP-GD3 functional and 6-31G(d,p) basis set. The reaction followed a one-step mechanism with asynchronous TSs. The calculated global reactivity indices calculated revealed, among other things, the nucleophile character of the 2-azido-N-(4-diazenylphenyl)acetamide and the electrophile character of the alkyne (4-bromo-2-chloro-1-ethynylbenzene), in addition to an electron transfer from the 4-bromo-2-chloro-1-ethynylbenzene towards the 2-azido-N-(4-diazenylphenyl) acetamide. The calculated local reactivity indices predicted the formation of the 1,4-triazole, with the most nucleophilic nitrogen and the most electrophilic carbon favoring its formation. However, analysis of the activation energies and thermochemistry parameters showed that the 1,5 triazole is energetically favorable and more stable under thermodynamic control. Bond order analysis coupled with bond formation evolution and the solvent effect was further investigated to support and highlight the asynchronicity in bond formation and the regioselectivity of the reaction, respectively.

Artemisia herba-alba is a perennial herbaceous plant belonging to the Asteraceae family. It is used in folk medicine to treat many nervous and digestive disorders, as well as diabetes. It possesses antioxidant, antifungal and anti-inflammatory properties. The chemical composition of the organic extracts obtained from the leaves of the Syrian Artemisia herba-alba plant was analysed using a Soxhlet extraction device and three solvents with varying degrees of polarity (petroleum ether, chloroform and ethyl acetate). The chemical constituents of the three extracts were determined using GC/MS technology. In the petroleum ether extract (Ah1), 38 compounds were identified, while the chloroform extract (Ah2) contained 39 compounds, and the ethyl acetate extract (Ah3) contained 45 compounds. The most significant compounds in the Ah1 extract were longiverbenone (23.9%), heneicosane (18.2%), 3,3,6-trimethyl-1,5-heptadien-4-one (16.5%), caryophyllene oxide (5.8%), and octacosane (4.6%). In the Ah2 extract, the main constituents were dioctyl hexanedioate (13.2%), (Z,Z) 9,12-octadecadienoyl chloride (7.3%), and (-)-spathulenol (7.1%). The primary compounds in the Ah3 extract were pentanoic acid (9.5%), geranyl isovalerate (9.3%), 2-butyl-1-octanol (7.5%), and 1-heptadecene (6.4%).

While the number of AIDS-related deaths continues to rise, efforts have been made to transform the disease into a manageable chronic condition. HIV protease inhibitors have become central to combination therapy. As a result, these inhibitors have become a major focus of anti-HIV drug development. This research takes a data-driven approach to drug development through the use of quantitative structure-activity relationship (QSAR) analysis. A dataset of 450 anti-HIV drugs was used to construct and validate models. Using extensive validation methods and various machine learning algorithms, the results clearly showed that the "ET" regression outperformed the other models (“XGB”, “LGBM”, “DT”, “RF”, “GB”, “Bag”, and “HGB”) in terms of goodness of fit, predictivity, generalizability, and model robustness. Promising compounds were subjected to molecular docking and molecular dynamics simulation, resulting in drugs with favourable pharmacokinetic and pharmacodynamic properties that consistently interact with the therapeutic target.

This short communication reports about new 5-amino-4-(1H-tetrazol-5-yl)-1,3-oxazoles which were synthesized by [3+2] cycloaddition of 2-R-5-amino-1,3-oxazole-4-carbonitriles and trimethylsilyl azide with dibutyltin oxide present. The reaction conditions provided high yields of the products, and were tolerant to some active functional fragments in the oxazole substituents (amino, amido, and hydroxy group). In the case of 2-((4-cyano-2-phenyloxazol-5-yl)amino)-N-methylacetamide the by-product (N-((1-(2-(methylamino)-2-oxoethyl)-1H-tetrazol-5-yl)(1H-tetrazol-5-yl)methyl)-benzamide) was formed together with the expected tetrazolyloxazole.

This study evaluates the impact of project procurement strategies on supply chain efficiency in the Jordanian construction industry, with vendor relationship management as a mediating variable. The target population was the 25000 construction industry specialists in Jordan. According to purposeful sampling technique and more specifically, stratified random sampling, 454 subjects were asked to complete questionnaires. Partial least squares structural equation modeling was employed for the analysis of data for the test of the hypotheses. This research also revealed that the project procurement strategies which are Just-In-Time, Multiple Sourcing, and Single Sourcing have positive impacts with a statistical significance to the supply chain efficiency dimensions of Demand Forecasting, Supply Chain Integration and Collaboration and Communication. Vendor relationship management was also a partial mediator to these relations. These implications can be summed up for the construction firms and policymakers in Jordan to understand how strategic procurement approach and proper relations with the vendors can improve the performance of the supply chain. This work aims to benefit the academia as it fills a gap in the existing literature by analysing the relationship between procurement strategies, its actors (vendors), and supply chain performance within a developing country environment. The analysis with the help of PLS-SEM enables us to look at both the direct and the indirect effects in such relationships.

The export development of small and medium enterprises (SMEs) in Indonesia is still very low, resulting in their contribution to national exports being very small as well. Government bodies and relevant stakeholders are actively pursuing initiatives to enhance the export performance of SMEs. These efforts include improving the quality of human and social capital and promoting the integration of digital technology into SME operations. This examination evaluates the impact of human capital (HC), social capital (SC), and the utilization of digital technology on the export performance of SMEs. The investigation adopted a survey approach on all export-oriented SMEs listed on the Bank Indonesia website. Data was obtained through the distribution of questionnaires to 614 SMEs. Data analysis was conducted using PLS SEM. The research findings indicate that human capital, social capital, and digital technology have a positive and significant influence on the export performance of SMEs in Indonesia.

This paper aims to explore the influence of digital supply chain flexibility in five-star Hotels on smart quality systems together with its mediating effect through sustainable procurement practices within KSA. The methodology used is quantitative, based on data collected from a sample of five-star Hotels in KSA. Based on the above findings, this study argues about an integral part of DSCF (Digital Supply Chain Flexibility), SP and SQS for adopting theoretical framework. In this study, partial least squares-structural equation modelling (PLS-SEM) was used to validate the hypotheses. Digital supply chain flexibility has a significant positive relationship with sustainable procurement practices and smart quality systems in five-star Hotels. This means that actions such as fostering sustainable procurement practices could act on the ability of digital supply chain flexibility to boost smart quality systems, which play a role in enhancing operational efficiency and service quality. This paper contributes to the examination of various strategies for digital supply chains with sustainable procurement practices and creative quality systems within the hospitality sector; particularly focusing on KSA. Although the research findings are constrained to five-star Hotels from KSA they offer important directions for future research in different hospitality settings. These results provide practical information for hotels managers and policymakers on how digital supply chain flexibility, and sustainable procurement practices combined would contribute to the high-quality service provision as well as operational resilience of five-star Hotels. While these lessons have been drawn from the KSA market, they are also relevant to other hospitality markets with hospitality markets worldwide. This is the first study to examine Mediating Role of Sustainable Procurement and Digital Supply Chain Flexibility Impact on Smart Quality Systems Study in Five-Star Hospitals in KSA.

The study sought to determine the direct impact of accounting system quality (IQ, SQ, and SEQ) on AIS in large Yemeni industrial enterprises as well as the moderating effect of the US on the relationship of IQ, SQ, and SEQ with AIS in large Yemeni industrial companies. A survey instrument was developed to gather data from 287 employees of large industrial companies in Yemen. The structural equation model analysis was used to analyze data collected. The results revealed that SQ and SEQ affect AIS, while IQ does not affect AIS. Importantly, the US does not moderate the effect of IQ, SQ, and SEQ on AIS.

The paper presents a fresh empirical approach for clarifying the impact of Jordan's most prevalent forms of ownership on the link between the “fair value (FV)” model share of assets and auditing costs. Using information gathered from 105 Jordanian financial listed companies spanning 2005 to 2018, ordinary least squares regression is applied in this paper. While financial institution ownership variables cause the opposite to be observed, family ownership decreases the link among the share of assets at FV and audit expenses. Family ownership results in decreased auditing costs paid only for “Level 1” assets; conversely, the extremely uncertain FV assets “Level 2 & 3” show the opposite. Financial institutional ownership demonstrates that auditing FV Level 1 leads to higher auditing costs. When relating FV Levels 2 and 3, the moderating effect of financial institutional ownership was significantly negative. No significant moderating effect of government ownership is confirmed. The inconclusive and limited empirical explanation of audit costs resulting from the FV model from a Western setting motivates our investigation. This study is considered as a unique study as it takes into account the most prevalent types of ownership in the Jordanian context in the FV studies reviewing auditees in Jordan. New evidence is generated by documenting audit characteristics of Jordan, a developing country, and its institutional environment and compliance with the FV model. The results are useful to regulators and policymakers in regulating the auditing profession and resolving FV audit-related conflicts and issues.