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Authors = Usman Ghani

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19 pages, 1635 KiB  
Article
Integrating AI-Driven Wearable Metaverse Technologies into Ubiquitous Blended Learning: A Framework Based on Embodied Interaction and Multi-Agent Collaboration
by Jiaqi Xu, Xuesong Zhai, Nian-Shing Chen, Usman Ghani, Andreja Istenic and Junyi Xin
Educ. Sci. 2025, 15(7), 900; https://doi.org/10.3390/educsci15070900 - 15 Jul 2025
Viewed by 465
Abstract
Ubiquitous blended learning, leveraging mobile devices, has democratized education by enabling autonomous and readily accessible knowledge acquisition. However, its reliance on traditional interfaces often limits learner immersion and meaningful interaction. The emergence of the wearable metaverse offers a compelling solution, promising enhanced multisensory [...] Read more.
Ubiquitous blended learning, leveraging mobile devices, has democratized education by enabling autonomous and readily accessible knowledge acquisition. However, its reliance on traditional interfaces often limits learner immersion and meaningful interaction. The emergence of the wearable metaverse offers a compelling solution, promising enhanced multisensory experiences and adaptable learning environments that transcend the constraints of conventional ubiquitous learning. This research proposes a novel framework for ubiquitous blended learning in the wearable metaverse, aiming to address critical challenges, such as multi-source data fusion, effective human–computer collaboration, and efficient rendering on resource-constrained wearable devices, through the integration of embodied interaction and multi-agent collaboration. This framework leverages a real-time multi-modal data analysis architecture, powered by the MobileNetV4 and xLSTM neural networks, to facilitate the dynamic understanding of the learner’s context and environment. Furthermore, we introduced a multi-agent interaction model, utilizing CrewAI and spatio-temporal graph neural networks, to orchestrate collaborative learning experiences and provide personalized guidance. Finally, we incorporated lightweight SLAM algorithms, augmented using visual perception techniques, to enable accurate spatial awareness and seamless navigation within the metaverse environment. This innovative framework aims to create immersive, scalable, and cost-effective learning spaces within the wearable metaverse. Full article
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20 pages, 690 KiB  
Article
The Green Blueprint: Founder Clan Culture Imprints and Green Innovation in Chinese Family Firms
by Feifei Lu, Zixuan Zang, Khalid Mehmood, Usman Ghani and Shuya Rao
Sustainability 2025, 17(5), 1978; https://doi.org/10.3390/su17051978 - 25 Feb 2025
Cited by 2 | Viewed by 869
Abstract
Drawing on upper-echelon, imprinting, and agency theories, this paper investigates the influence of founder CEOs’ clan cultural values on family firms’ green innovation performance and examines the moderating roles of family involvement and the intensity of government environmental regulation. Using data from 1678 [...] Read more.
Drawing on upper-echelon, imprinting, and agency theories, this paper investigates the influence of founder CEOs’ clan cultural values on family firms’ green innovation performance and examines the moderating roles of family involvement and the intensity of government environmental regulation. Using data from 1678 Chinese public family firms over the period from 2012 to 2020, which include 9048 firm–year observations, our results show a significant positive effect of founder CEOs’ clan cultural values on firms’ green innovation practices. Additionally, this positive effect is weakened when the level of family involvement is high, due to conflict. Moreover, the positive influence is strengthened when government environmental regulation is more stringent. Full article
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20 pages, 4034 KiB  
Article
Nicotinamide Mononucleotide Restores NAD+ Levels to Alleviate LPS-Induced Inflammation via the TLR4/NF-κB/MAPK Signaling Pathway in Mice Granulosa Cells
by Mehboob Ahmed, Umair Riaz, Haimiao Lv, Muhammad Amjad, Sohail Ahmed, Shaokat Ali, Muhammad Usman Ghani, Guohua Hua and Liguo Yang
Antioxidants 2025, 14(1), 39; https://doi.org/10.3390/antiox14010039 - 31 Dec 2024
Cited by 6 | Viewed by 1919
Abstract
Inflammation disrupts the normal function of granulosa cells (GCs), which leads to ovarian dysfunction and fertility decline. Inflammatory conditions such as polycystic ovary syndrome (PCOS), primary ovarian insufficiency (POI), endometriosis, and age-related ovarian decline are often associated with chronic low-grade inflammation. Nicotinamide mononucleotide [...] Read more.
Inflammation disrupts the normal function of granulosa cells (GCs), which leads to ovarian dysfunction and fertility decline. Inflammatory conditions such as polycystic ovary syndrome (PCOS), primary ovarian insufficiency (POI), endometriosis, and age-related ovarian decline are often associated with chronic low-grade inflammation. Nicotinamide mononucleotide (NMN) is an important precursor of NAD+ and has gained attention for its potential to modulate cellular metabolism, redox homeostasis, and mitigate inflammation. This study investigated the protective roles of NMN against lipopolysaccharide LPS-mediated inflammation in GCs. The results of this experiment demonstrated that LPS had negative effects on GCs in term of reduced viability and proliferation rates and upregulated the production of pro-inflammatory cytokines, including interleukin-1 beta (IL-1β), interleukin-6 (IL-6), cyclooxygenase-2 (Cox-2), and tumor necrosis factor-alpha (TNF-α). Notably, the levels of NAD+ and NAD+/NADH ratio in GCs were reduced in response to inflammation. On the other hand, NMN supplementation restored the NAD+ levels and the NAD+/NADH ratio in GCs and significantly reduced the expression of pro-inflammatory markers at both mRNA and protein levels. It also enhanced cell viability and proliferation rates of GCs. Furthermore, NMN also reduced apoptosis rates in GCs by downregulating pro-apoptotic markers, including Caspase-3, Caspase-9, and Bax while upregulating anti-apoptotic marker Bcl-2. NMN supplementation significantly reduced reactive oxygen species ROS and improved steroidogenesis activity by restoring the estradiol (E2) and progesterone (P4) levels in LPS-treated GCs. Mechanistically, this study found that NMN suppressed the activation of the TLR4/NF-κB/MAPK signaling pathways in GCs, which regulates inflammatory processes. In conclusion, the findings of this study revealed that NMN has the potential to reduce LPS-mediated inflammatory changes in GCs by modulating NAD+ metabolism and inflammatory signaling pathways. NMN supplementation can be used as a potential therapeutic agent for ovarian inflammation and related fertility disorders. Full article
(This article belongs to the Section Antioxidant Enzyme Systems)
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31 pages, 8528 KiB  
Article
Neuroplastic Responses to Chiropractic Care: Broad Impacts on Pain, Mood, Sleep, and Quality of Life
by Heidi Haavik, Imran Khan Niazi, Imran Amjad, Nitika Kumari, Usman Ghani, Moeez Ashfaque, Usman Rashid, Muhammad Samran Navid, Ernest Nlandu Kamavuako, Amit N. Pujari and Kelly Holt
Brain Sci. 2024, 14(11), 1124; https://doi.org/10.3390/brainsci14111124 - 7 Nov 2024
Cited by 1 | Viewed by 15292
Abstract
Objectives: This study aimed to elucidate the mechanisms of chiropractic care using resting electroencephalography (EEG), somatosensory evoked potentials (SEPs), clinical health assessments (Fitbit), and Patient-reported Outcomes Measurement Information System (PROMIS-29). Methods: Seventy-six people with chronic low back pain (mean age ± SD: 45 [...] Read more.
Objectives: This study aimed to elucidate the mechanisms of chiropractic care using resting electroencephalography (EEG), somatosensory evoked potentials (SEPs), clinical health assessments (Fitbit), and Patient-reported Outcomes Measurement Information System (PROMIS-29). Methods: Seventy-six people with chronic low back pain (mean age ± SD: 45 ± 11 years, 33 female) were randomised into control (n = 38) and chiropractic (n = 38) groups. EEG and SEPs were collected pre and post the first intervention and post 4 weeks of intervention. PROMIS-29 was measured pre and post 4 weeks. Fitbit data were recorded continuously. Results: Spectral analysis of resting EEG showed a significant increase in Theta, Alpha and Beta, and a significant decrease in Delta power in the chiropractic group post intervention. Source localisation revealed a significant increase in Alpha activity within the Default Mode Network (DMN) post intervention and post 4 weeks. A significant decrease in N30 SEP peak amplitude post intervention and post 4 weeks was found in the chiropractic group. Source localisation demonstrated significant changes in Alpha and Beta power within the DMN post-intervention and post 4 weeks. Significant improvements in light sleep stage were observed in the chiropractic group along with enhanced overall quality of life post 4 weeks, including significant reductions in anxiety, depression, fatigue, and pain. Conclusions: These findings indicate that many health benefits of chiropractic care are due to altered brain activity. Full article
(This article belongs to the Special Issue Altered Musculoskeletal Sensory Input and Neuromechanics)
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44 pages, 16725 KiB  
Review
Microchannel Heat Sinks—A Comprehensive Review
by Usman Ghani, Muhammad Anas Wazir, Kareem Akhtar, Mohsin Wajib and Shahmir Shaukat
Electron. Mater. 2024, 5(4), 249-292; https://doi.org/10.3390/electronicmat5040017 - 6 Nov 2024
Cited by 3 | Viewed by 7604
Abstract
An efficient cooling system is necessary for the reliability and safety of modern microchips for a longer life. As microchips become smaller and more powerful, the heat flux generated by these chips per unit area also rises sharply. Traditional cooling techniques are inadequate [...] Read more.
An efficient cooling system is necessary for the reliability and safety of modern microchips for a longer life. As microchips become smaller and more powerful, the heat flux generated by these chips per unit area also rises sharply. Traditional cooling techniques are inadequate to meet the recent cooling requirements of microchips. To meet the current cooling demand of microelectromechanical systems (MEMS) devices and microchips, microchannel heat sink (MCHS) technology is the latest invention, one that can dissipate a significant amount of heat because of its high surface area to volume ratio. This study provides a concise summary of the design, material selection, and performance parameters of the MCHSs that have been developed over the last few decades. The limitations and challenges associated with the different techniques employed by researchers over time to enhance the thermal efficiency of microchannel heat sinks are discussed. The effects on the thermal enhancement factor, Nusselt number, and pressure drop at different Reynold numbers in passive techniques (flow obstruction) i.e., ribs, grooves, dimples, and cavities change in the curvature of MCHSs, are discussed. This study also discusses the increase in heat transfer using nanofluids and how a change in coolant type also significantly affects the thermal performance of MCHSs by obstructing flow. This study provides trends and useful guidelines for researchers to design more effective MCHSs to keep up with the cooling demands of power electronics. Full article
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26 pages, 5936 KiB  
Article
Analysis of Wheat-Yield Prediction Using Machine Learning Models under Climate Change Scenarios
by Nida Iqbal, Muhammad Umair Shahzad, El-Sayed M. Sherif, Muhammad Usman Tariq, Javed Rashid, Tuan-Vinh Le and Anwar Ghani
Sustainability 2024, 16(16), 6976; https://doi.org/10.3390/su16166976 - 14 Aug 2024
Cited by 12 | Viewed by 6777
Abstract
Climate change has emerged as one of the most significant challenges in modern agriculture, with potential implications for global food security. The impact of changing climatic conditions on crop yield, particularly for staple crops like wheat, has raised concerns about future food production. [...] Read more.
Climate change has emerged as one of the most significant challenges in modern agriculture, with potential implications for global food security. The impact of changing climatic conditions on crop yield, particularly for staple crops like wheat, has raised concerns about future food production. By integrating historical climate data, GCM (CMIP3) projections, and wheat-yield records, our analysis aims to provide significant insights into how climate change may affect wheat output. This research uses advanced machine learning models to explore the intricate relationship between climate change and wheat-yield prediction. Machine learning models used include multiple linear regression (MLR), boosted tree, random forest, ensemble models, and several types of ANNs: ANN (multi-layer perceptron), ANN (probabilistic neural network), ANN (generalized feed-forward), and ANN (linear regression). The model was evaluated and validated against yield and weather data from three Punjab, Pakistan, regions (1991–2021). The calibrated yield response model used downscaled global climate model (GCM) outputs for the SRA2, B1, and A1B average collective CO2 emissions scenarios to anticipate yield changes through 2052. Results showed that maximum temperature (R = 0.116) was the primary climate factor affecting wheat yield in Punjab, preceding the Tmin (R = 0.114), while rainfall had a negligible impact (R = 0.000). The ensemble model (R = 0.988, nRMSE= 8.0%, MAE = 0.090) demonstrated outstanding yield performance, outperforming Random Forest Regression (R = 0.909, nRMSE = 18%, MAE = 0.182), ANN(MLP) (R = 0.902, MAE = 0.238, nRMSE = 17.0%), and boosting tree (R = 0.902, nRMSE = 20%, MAE = 0.198). ANN(PNN) performed inadequately. The ensemble model and RF showed better yield results with R2 = 0.953, 0.791. The expected yield is 5.5% lower than the greatest average yield reported at the site in 2052. The study predicts that site-specific wheat output will experience a significant loss due to climate change. This decrease, which is anticipated to be 5.5% lower than the highest yield ever recorded, points to a potential future loss in wheat output that might worsen food insecurity. Additionally, our findings highlighted that ensemble approaches leveraging multiple model strengths could offer more accurate and reliable predictions under varying climate scenarios. This suggests a significant potential for integrating machine learning in developing climate-resilient agricultural practices, paving the way for future sustainable food security solutions. Full article
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18 pages, 2633 KiB  
Article
Investigating the Ability of Road Specifications to Discriminate the Rutting Behavior of Rubberized Asphalt Mixtures in Italy
by Usman Ghani, Silvia Milazzo, Gaspare Giancontieri, Gabriella Buttitta, Fan Gu and Davide Lo Presti
Infrastructures 2024, 9(7), 113; https://doi.org/10.3390/infrastructures9070113 - 18 Jul 2024
Cited by 2 | Viewed by 1766
Abstract
Despite its worldwide adoption in many countries, rubberized asphalt mixtures are not fully incorporated as an alternative paving material in current Italian road specifications. This reluctance stems from a lack of experience, resistance to change in established work practices, and, sometimes, insufficient evidence [...] Read more.
Despite its worldwide adoption in many countries, rubberized asphalt mixtures are not fully incorporated as an alternative paving material in current Italian road specifications. This reluctance stems from a lack of experience, resistance to change in established work practices, and, sometimes, insufficient evidence demonstrating tangible benefits with local specifications. Furthermore, conventional characterization methods such as void checks and indirect tensile strength testing by means of IDT may not accurately capture the true benefits of using alternative paving materials. This study introduces performance-driven characterization approaches with the final aim of evaluating whether more advanced procedures may provide additional information compared to current practices and, in turn, promote the use of alternative paving materials. Hence, an investigation has been conducted to compare the rutting behavior of conventional asphalt mixtures with those modified with engineered crumb rubber (ECR). This comparison utilized performance-driven characterization approaches, including a basic IDT-based methodology at higher temperatures (HT-IDT), as well as two more sophisticated approaches, the Stress Sweep Rutting (SSR) and Flow Number (FN) tests, using the asphalt mixture performance tester (AMPT). Finally, the results were compared with those obtained using the IDT, a conventional method as specified by the major Italian road authority. As a result, the addition of ECR proves beneficial in enhancing the qualities of dense mixtures tailored for use on urban and secondary roads; however, only performance-driven characterization, with both basic and advanced methodologies, can clearly describe the pivotal role of ECR in achieving discernible enhancements in the rutting behavior of asphalt mixtures. Full article
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19 pages, 2800 KiB  
Protocol
Investigating Whether a Combination of Electro-Encephalography and Gene Expression Profiling Can Predict the Risk of Chronic Pain: A Protocol for an Observational Prospective Cohort Study
by Ann-Christin Sannes, Usman Ghani, Imran Khan Niazi, Torgeir Moberget, Rune Jonassen, Heidi Haavik and Johannes Gjerstad
Brain Sci. 2024, 14(7), 641; https://doi.org/10.3390/brainsci14070641 - 26 Jun 2024
Viewed by 3315
Abstract
Despite most episodes of low back pain (LBP) being short-lasting, some transition into persistent long-lasting problems. Hence, the need for a deeper understanding of the physiological mechanisms of this is pertinent. Therefore, the aims of the present study are (1) to map pain-induced [...] Read more.
Despite most episodes of low back pain (LBP) being short-lasting, some transition into persistent long-lasting problems. Hence, the need for a deeper understanding of the physiological mechanisms of this is pertinent. Therefore, the aims of the present study are (1) to map pain-induced changes in brain activity and blood gene expression associated with persistent LBP, and (2) to explore whether these brain and gene expression signatures show promise as predictive biomarkers for the development of persistent LBP. The participants will be allocated into three different pain groups (no pain, mild short-lasting, or moderate long-term). One in-person visit, where two blood samples will be collected and sent for RNA sequencing, along with resting 64-channel electro-encephalography measurements before, during, and after a cold pressor test, will be conducted. Thereafter, follow-up questionnaires will be distributed at 2 weeks, 3 months, and 6 months. Recruitment will start during the second quarter of 2024, with expected completion by the last quarter of 2024. The results are expected to provide insight into the relationship between central nervous system activity, gene expression profiles, and LBP. If successful, this study has the potential to provide physiological indicators that are sensitive to the transition from mild, short-term LBP to more problematic, long-term LBP. Full article
(This article belongs to the Special Issue Altered Musculoskeletal Sensory Input and Neuromechanics)
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24 pages, 3185 KiB  
Review
Review and Assessment of Material, Method, and Predictive Modeling for Fiber-Reinforced Polymer (FRP) Partially Confined Concrete Columns
by Muhammad Usman Ghani, Nauman Ahmad, Kahsay Gebresilassie Abraha, Rana Zafar Abbas Manj, Muhammad Haroon Sharif and Li Wei
Polymers 2024, 16(10), 1367; https://doi.org/10.3390/polym16101367 - 10 May 2024
Cited by 4 | Viewed by 2454
Abstract
The repairing and strengthening of concrete structures using external and internal partial confinements are inevitable in the construction industry due to the new standards and rapid developments. The conventional materials and methods of confinement are unable to meet modern safety and functional standards. [...] Read more.
The repairing and strengthening of concrete structures using external and internal partial confinements are inevitable in the construction industry due to the new standards and rapid developments. The conventional materials and methods of confinement are unable to meet modern safety and functional standards. The fiber-reinforced polymer (FRP) enhances the strength and ductility of deteriorating and new concrete columns by reducing lateral confinement pressure and resistance against seismic shocks. The precise methods of partial confinement are inevitable for effective FRP-concrete bonding, durability, and cost-effectiveness under different loading conditions and to cope with external environmental factors. Predictive modeling and simulation techniques are pivotal for the optimization of confinement materials and methods by investigating the FRP-concrete novel confinement configurations, stress–strain responses, and failure modes. The novel materials and methods for concrete columns’ partial confinement lack high compressive strength, ductility, chemical attack resistivity, and different fiber orientation impacts. This review provides an overview of recent confinement materials, novel methods, and advanced modeling and simulation techniques with a critical analysis of the research gaps for partial FRP confinement of concrete columns. The current challenges and future prospects are also presented. Full article
(This article belongs to the Special Issue Sustainable Polymeric Materials in Building and Construction)
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14 pages, 3652 KiB  
Article
Identification of Aniline-Degrading Bacteria Using Stable Isotope Probing Technology and Prediction of Functional Genes in Aerobic Microcosms
by Baoqin Li, Muhammad Usman Ghani, Weimin Sun, Xiaoxu Sun, Huaqing Liu, Geng Yan, Rui Yang, Ying Huang, Youhua Ren and Benru Song
Catalysts 2024, 14(1), 64; https://doi.org/10.3390/catal14010064 - 15 Jan 2024
Cited by 2 | Viewed by 2550
Abstract
Aniline, a vital component in various chemical industries, is known to be a hazardous persistent organic pollutant that can cause environmental pollution through its manufacturing, processing, and transportation. In this study, the microcosms were established using sediment with a history of aniline pollution [...] Read more.
Aniline, a vital component in various chemical industries, is known to be a hazardous persistent organic pollutant that can cause environmental pollution through its manufacturing, processing, and transportation. In this study, the microcosms were established using sediment with a history of aniline pollution as an inoculum to analyze the aniline biodegradation under aerobic conditions through stable isotope probing (SIP) and isopycnic density gradient centrifugation technology. During the degradation assay, aniline that was 13C-labeled in all six carbons was utilized to determine the phylogenetic identity of the aniline-degrading bacterial taxa that incorporate 13C into their DNA. The results revealed that aniline was completely degraded in the microcosm after 45 and 69 h respectively. The bacteria affiliated with Acinetobacter (up to 34.6 ± 6.0%), Zoogloea (up to 15.8 ± 2.2%), Comamonas (up to 2.6 ± 0.1%), and Hydrogenophaga (up to 5.1 ± 0.6%) genera, which are known to degrade aniline, were enriched in the heavy fractions (the DNA buoyant density was 1.74 mg L−1) of the 13C-aniline treatments. Moreover, some rarely reported aniline-degrading bacteria, such as Prosthecobacter (up to 16.0 ± 1.6%) and Curvibacter (up to 3.0 ± 1.6%), were found in the DNA-SIP experiment. Gene families affiliated with atd, tdn, and dan were speculated to be key genes for aniline degradation based on the abundance in functional genes and diversity in different treatments as estimated using Phylogenetic Investigation of Communities by Reconstruction of Unobserved States version 2 (PICRUSt2) and the Kyoto Encyclopedia of Genes and Genomes (KEGG). This study revealed the functional bacteria and possible degradation genes for aniline degradation in simulated polluted environments through SIP. These findings suggest that important degrading bacteria for the transformation of aniline and potential degradation pathways may be useful in the effective application of bioremediation technologies to remediate aniline-contaminated sites. Full article
(This article belongs to the Special Issue Microbial Biocatalysis, 2nd Edition)
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14 pages, 3617 KiB  
Article
Enset Fiber-Reinforced Polylactic Acid-Based Biocomposites for High-Performance Application
by Kahsay Gebresilassie Abraha, Dereje Kebebew Debeli, Muhammad Usman Ghani, Awet Arefe Tesfahunegn and Jiansheng Guo
J. Compos. Sci. 2023, 7(10), 407; https://doi.org/10.3390/jcs7100407 - 25 Sep 2023
Cited by 11 | Viewed by 2739
Abstract
In recent years, there has been growing interest in using plant fibers to reinforce materials in modern manufacturing. This study focuses on the development of a novel biocomposite made from an enset fiber (EF) and polylactic acid (PLA) matrix using compression molding at [...] Read more.
In recent years, there has been growing interest in using plant fibers to reinforce materials in modern manufacturing. This study focuses on the development of a novel biocomposite made from an enset fiber (EF) and polylactic acid (PLA) matrix using compression molding at a hot-pressing temperature of 170 °C and pressure of 7 MPa for 7 min. Before preparing the biocomposites, the fibers were chemically modified with different concentrations of sodium hydroxide (NaOH) and cut into shorter fibers with a 40 mm average length in size. Then, the extent of modifications on the mechanical properties, dynamic mechanical behavior, morphology, and water absorption were investigated. The tensile, flexural, and Charpy impact tests were carried out to evaluate the mechanical properties of the samples as per ASTM standards. Moreover, dynamic mechanical analysis (DMA) and the water absorbency of the biocomposites were investigated, and the results were graphically shown and explained. The results indicate that the biocomposite treated with 5% NaOH exhibited significant improvements in tensile strength, flexural strength, and impact strength compared to the untreated composite. The tensile modulus and flexural modulus of 5% NaOH-modified enset fiber biocomposite were also enhanced by 55.8% and 70.3% compared to untreated enset fiber biocomposite. The highest tensile strength, flexural strength, and impact strength found for the PLA composite reinforced by EF treated with 5% w/v NaOH solution were 20.16 MPa, 30.21 MPa, and 12.02 kJ/m2, respectively. In general, the modification of natural fibers improves adhesion at the interface and therefore decreases the water absorption and improves the dynamic mechanical properties of biocomposites. Full article
(This article belongs to the Section Fiber Composites)
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15 pages, 7593 KiB  
Article
Comparative In Vitro and In Silico Enzyme Inhibitory Screening of Rosa x damascena and Pelargonium graveolens Essential Oils and Geraniol
by Ayşe Esra Karadağ, Sevde Nur Biltekin, Betül Demirci, Fatih Demirci and Usman Ghani
Plants 2023, 12(18), 3296; https://doi.org/10.3390/plants12183296 - 18 Sep 2023
Cited by 7 | Viewed by 2337
Abstract
The present work aims to evaluate Rosa x damascena Herrm. and Pelargonium graveolens L’Hér. essential oils, and the major constituent geraniol for their in vitro and in silico inhibitory activities against 5-lipoxygenase (5-LOX), cyclooxygenase (COX), acetyl cholinesterase (AChE), butyryl cholinesterase (BuChE), and [...] Read more.
The present work aims to evaluate Rosa x damascena Herrm. and Pelargonium graveolens L’Hér. essential oils, and the major constituent geraniol for their in vitro and in silico inhibitory activities against 5-lipoxygenase (5-LOX), cyclooxygenase (COX), acetyl cholinesterase (AChE), butyryl cholinesterase (BuChE), and angiotensin converting enzyme (ACE2) enzymes. Geraniol most potently inhibited the ACE2 relative to other enzymes. R. damascena essential oil moderately inhibited the cancer cell lines with no toxic effects on healthy HEK 293 cells. P. graveolens essential oil inhibited a number of cancer cell lines including A549, MCF7, PC3, and HEK 293 that are reported here for the first time. The molecular docking of geraniol with the target enzymes revealed that it binds to the active sites similar to that of known drugs. Geraniol carries the potential for further drug development due to its drug-like binding mode for the target enzymes. Our work confirms that these essential oils possess similar biological activities due to their similar phytochemistry in terms of the major constituents of the plants. The promising biological activities reported in this work further warrant the inclusion of in vivo studies to establish safe use of the target essential oils and their constituents. Full article
(This article belongs to the Special Issue Chemical Characteristics and Bioactivity of Plant Natural Products)
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30 pages, 5349 KiB  
Article
Computational Analysis of Some More Rectangular Tessellations of Kekulenes and Their Molecular Characterizations
by S. Prabhu, M. Arulperumjothi, Muhammad Usman Ghani, Muhammad Imran, S. Salu and Bibin K. Jose
Molecules 2023, 28(18), 6625; https://doi.org/10.3390/molecules28186625 - 14 Sep 2023
Cited by 11 | Viewed by 1636
Abstract
Cycloarene molecules are benzene-ring-based polycyclic aromatic hydrocarbons that have been fused in a circular manner and are surrounded by carbon–hydrogen bonds that point inward. Due to their magnetic, geometric, and electronic characteristics and superaromaticity, these polycyclic aromatics have received attention in a number [...] Read more.
Cycloarene molecules are benzene-ring-based polycyclic aromatic hydrocarbons that have been fused in a circular manner and are surrounded by carbon–hydrogen bonds that point inward. Due to their magnetic, geometric, and electronic characteristics and superaromaticity, these polycyclic aromatics have received attention in a number of studies. The kekulene molecule is a cyclically organized benzene ring in the shape of a doughnut and is the very first example of such a conjugated macrocyclic compound. Due to its structural characteristics and molecular characterizations, it serves as a great model for theoretical research involving the investigation of π electron conjugation circuits. Therefore, in order to unravel their novel electrical and molecular characteristics and foresee potential applications, the characterization of such components is crucial. In our current research, we describe two unique series of enormous polycyclic molecules made from the extensively studied base kekulene molecule, utilizing the essential graph-theoretical tools to identify their structural characterization via topological quantities. Rectangular kekulene Type-I and rectangular kekulene Type-II structures were obtained from base kekulene molecules arranged in a rectangular fashion. We also employ two subcases for each Type and, for all of these, we derived ten topological indices. We can investigate the physiochemical characteristics of rectangular kekulenes using these topological indices. Full article
(This article belongs to the Section Computational and Theoretical Chemistry)
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33 pages, 9351 KiB  
Article
An Integrated Approach to Analyze the Progress of Developing Economies in Asia toward the Sustainable Development Goals
by Awais Mahmood, Ahsan Farooq, Haseeb Akbar, Hafiz Usman Ghani and Shabbir H. Gheewala
Sustainability 2023, 15(18), 13645; https://doi.org/10.3390/su151813645 - 12 Sep 2023
Cited by 11 | Viewed by 3189
Abstract
This study endeavored to analyze the progress made to meet the Sustainable Development Goals in terms of resource use, sustainable production and consumption, and the triple planetary crisis (i.e., climate change, biodiversity loss, and pollutant emissions) at the national and regional levels in [...] Read more.
This study endeavored to analyze the progress made to meet the Sustainable Development Goals in terms of resource use, sustainable production and consumption, and the triple planetary crisis (i.e., climate change, biodiversity loss, and pollutant emissions) at the national and regional levels in Asia. The study highlighted that the progress toward sustainable consumption and production is still not sufficient to meet the ambitious national targets. An urgent need for a comprehensive approach to address climate change, biodiversity loss, pollutant emissions, and resource use has been ascertained. China’s greenhouse gas emissions have surged tremendously. India is also endeavoring to decouple emissions from growth via renewable energy. Vulnerable Pakistan seeks emission reduction and financial aid. Indonesia, Thailand, and Vietnam outline emission reduction strategies. Land use change emerges as a key biodiversity loss driver, stressing the need for sustainable land policies and conservation. Material consumption highlights the call for production optimization, circular economies, and innovative technology. Energy’s role in development requires decoupling from growth through efficiency, renewables, and eco-friendly paths. Freshwater needs careful management for sustainability, and international collaboration and policy reform are urged for global water use efficiency. Decoupling trends between growth, resource use, and environmental impact show a complex pattern, with the feasibility of absolute decoupling limited by growth interdependence. Full article
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19 pages, 9767 KiB  
Article
Experimental and Numerical Analysis of Axial Behavior of Triaxial Woven Fabric Confined Concrete Columns
by Muhammad Usman Ghani, Tingting Sun, Honghua Zhang, Kahsay Gebresilassie Abraha, Nauman Ahmad, Khalil Ahmed, Rehan Saeed, Mohmadarslan Kutubuddin Sadannavar and Wei Li
J. Compos. Sci. 2023, 7(9), 358; https://doi.org/10.3390/jcs7090358 - 25 Aug 2023
Cited by 4 | Viewed by 1892
Abstract
Continuous efforts are being made to improve plain concrete compressive strength and ductility by applying carbon, glass fiber, or hybrid-reinforced epoxy resin composites. The investigation centers on analyzing the axial compressive strength and strain, compressive stress–strain behavior, failure morphology, and crack evolution of [...] Read more.
Continuous efforts are being made to improve plain concrete compressive strength and ductility by applying carbon, glass fiber, or hybrid-reinforced epoxy resin composites. The investigation centers on analyzing the axial compressive strength and strain, compressive stress–strain behavior, failure morphology, and crack evolution of the reinforced cylinders. Besides the experiments, non-linear finite element analysis was performed using the finite element (FE) package ABAQUS 2021. The test results indicate that carbon fiber triaxial woven fabric (TWF-C) confinement result in the most significant improvement of 118% in compressive stress than the concrete specimens. On the other hand, glass fiber triaxial woven fabric (TWF-G) confinement shows the highest enhancement of 161% in ductility. The mechanical properties of the sample utilizing glass fiber as the weft yarn and carbon fiber as the warp yarn (TWF-GC2) exhibit superior improvements of 22% in compressive stress and 8% in axial strain compared to the sample using glass fiber as the warp yarn and carbon fiber as the weft yarn (TWF-CG2). Samples with glass fiber as weft yarn show gradual cracks during loading, while carbon fiber as weft yarn show instantaneous damage. The numerical finite element models accurately predict the experimental results of the tested specimens in this study. There were 1.2~3% and 5~10% discrepancies for compressive stress and axial strain, respectively, between experimental and FE results. Overall, the results suggest that Triaxial woven fabric confinement is a valuable technique to improve the strength and strain of concrete and that the type of fibers used could be tailored for appropriate performance characteristics. Full article
(This article belongs to the Section Composites Modelling and Characterization)
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