Ozone decomposition on transition-metal-atom anchored graphdiyne: Insights from computation and experiment.

Transition-metal-atom anchored graphdiynes (TM@GDY, TM = Mn, Fe, Co, Ni and Cu) have already been synthesized and found applications in hydrogen evolution, nitrogen fixation and etc. By means of first-principle predictions and test experiments, we propose here that Fe@GDY and Co@GDY are efficient catalysts for the sustainable conversion of O3 to O2. These two catalysts can spontaneously chemisorb O3 with zero reaction barrier and have low O3 conversion barriers (0.31 eV and 0.19 eV, respectively). The O3 decomposition experiment in a continuous flow membrane reactor and electron paramagnetic resonance results verify that Fe@GDY and Co@GDY are efficient catalysts under humid conditions. Raman spectra prove the formation of the key Fe-O/Co-O and FeOO and CoOO intermediates. The hydrophobic nature of graphdiyne and the strongest chemisorption of O3 among tested ambient gases, make Fe@GDY and Co@GDY ideal catalysts under both dry and humid conditions. These findings would stimulate future explorations on metal anchored GDY-based catalysts for applications of toxic gas decomposition or fixation.

Effects of water-nitrogen coupling on water and salt environment and root distribution in Suaeda salsa.

Understanding the spatial distribution of crop roots is crucial for effectively managing crop water and fertilizer. We investigate the effects of water-nitrogen coupling on the water-salt environment and root distribution in the root zone of S. salsa. Three irrigation levels were established, calculated according to 0.35 (W1), 0.50 (W2), and 0.65 (W3) of local ET0. The three nitrogen levels were 150 (N1), 250 (N2), and 350 (N3) kg·hm-2 in a complete combination design. With the augmentation of irrigation water and nitrogen application, the total root weight density of the root system of Suaeda salsa increased from 17.18×10-3 g·cm-3 to 27.91×10-3 g·cm-3. The distribution of soil water suction significantly influences the root distribution of Suaeda salsa in saline soil, causing a transition from a narrow deep type to a wide shallow type. Under the W2 irrigation level, soil water suction ranges from 1485.60 to 1726.59 KPa, which can provide water for S. salsa.it becomes feasible to attain the necessary water and salt environment for the growth and development of S. salsa, resulting in the attainment of maximum biomass, ash content, and salt uptake. No significant differences in the biomass, ash content, and salt uptake of S. salsa was noted between N2 and N3 nitrogen application levels (p > 0.05).The optimal irrigation volume and nitrogen application level were 0.50 ET0 and 250 kg·hm-2, respectively. The results of this study provide a scientific basis for the large-scale planting of S. salsa in extreme arid areas to improve and utilize saline wastelands.

Risk Prediction of Diabetes Progression Using Big Data Mining with Multifarious Physical Examination Indicators.

Purpose: The purpose of this study is to explore the independent-influencing factors from normal people to prediabetes and from prediabetes to diabetes and use different prediction models to build diabetes prediction models. Methods: The original data in this retrospective study are collected from the participants who took physical examinations in the Health Management Center of Peking University Shenzhen Hospital. Regression analysis is individually applied between the populations of normal and prediabetes, as well as the populations of prediabetes and diabetes, for feature selection. Afterward,the independent influencing factors mentioned above are used as predictive factors to construct a prediction model. Results: Selecting physical examination indicators for training different ML models through univariate and multivariate logistic regression, the study finds Age, PRO, TP, and ALT are four independent risk factors for normal people to develop prediabetes, and GLB and HDL.C are two independent protective factors, while logistic regression performs best on the testing set (Acc: 0.76, F-measure: 0.74, AUC: 0.78). We also find Age, Gender, BMI, SBP, U.GLU, PRO, ALT, and TG are independent risk factors for prediabetes people to diabetes, and AST is an independent protective factor, while logistic regression performs best on the testing set (Acc: 0.86, F-measure: 0.84, AUC: 0.74). Conclusion: The discussion of the clinical relationships between these indicators and diabetes supports the interpretability of our feature selection. Among four prediction models, the logistic regression model achieved the best performance on the testing set.

Exploring a Substitution Strategy to Ethylene Oxide for CO2 Sequestration and Catalytic Conversion: A Theoretical Study.

We show here that attaching -NH2, -NHCH3, or -N(CH3)2 to ethylene oxide can dramatically reduce the CO2 cycloaddition barrier, from 69.5 kcal/mol (R = -H) down to 22.1 kcal/mol [R = -N(CH3)2], which may enable CO2 fixation under milder conditions without the help of catalysts. A joint analysis of local charges, frontier orbital energies, molecular electronegativity, and partial electron transfer explains how these substituents facilitate CO2 cycloaddition to ethylene oxide. The distortion/interaction-activation strain model (D/I-ASM) simulation reveals that the computed low reaction barrier results from the decreased activation strain energy and increased intermolecular interaction energy in the transition state. Density functional theory calculations show that -N(CH3)2-monosubstituted ethylene oxide (NEO) can greatly lower the energy threshold for CO2 sequestration. NEO can also work with the common organic catalyst 1,5,7-triazabicyclo[4.4.0]dec-5-ene (TBD) that assists CO2 for further conversion into dimethyl carbonate (via alcoholysis) and N,N'-dimethylurea (via ammonolysis) with maximal barrier heights as low as 24.2 and 21.9 kcal/mol, respectively. The facile coupling of NEO with CO2 and the undemanding alcoholysis/ammonolysis of NCC with TBD would promise the inclusion of amino functionalities to small-molecule-based epoxides, or polymeric epoxy resins, in the fixation and further economic conversions of CO2.

Electric-Field Effects on the Internal Charge Reorganization Energies of Crystalline Organic Semiconductors.

The synergistic effects of molecular packing and external electric fields (EEFs, including axial and nonaxial fields) on the internal charge reorganization energies (λ) of typical p-type SMOS have been investigated. Combined quantum and molecular mechanics calculations show that, for all-ring-fused rigid molecules single-molecule approximation and neglect of EEFs are adequate for computing λ, while for nonrigid molecules with inter-ring carbon-carbon (IRCC) linkers, the above simplifications may cause a significant deviation from the actual λ. For nonrigid molecules, solid-state packing can prevent "bad" EEFs (Fz and Fyz) from enhancing λ (adverse to charge transfer), while it allows λ to be greatly reduced (in favor of charge transfer) if "good" EEFs (Fx, Fxy, Fxz and Fxyz) are imposed. Last, a simple strategy that can divide λ into each subring contribution for IRCC-linked molecules has been proposed.

Mine pressure behavior law of isolated island working face under extremely close goaf in shallow coal seam.

In order to study the mining pressure characteristics of the shallow buried coal seam with the same silo working face under the very close mining void zone and the overlying coal rock body, the theoretical analysis is used to determine whether the open-cutting eye bearing layer belongs to the mining under the very close mining void zone or not, based on the numerical simulation of FLAC3D and on-site measurement of the working resistance at the end of the cycle of the working face's hydraulic bracket, It is proposed to divide the mining stress of the working face based on the advancing length of the working face, that is, the high-pressure zone, the transition zone and the low-pressure zone. The results of the study show that: FLAC3D software was used to analyze the stress intensity of the "C" island working face when it was mined back to 50 m, 100 m, 150 m, and 180 m (one time "square"), and the simulation results were imported into the Origin software, which was used to analyze the stress intensity of the working face. The simulation results were imported into Origin software, and the influence range of mining stress was divided into four areas: high-stress area, stress transition area, low-stress area, and "square" stress concentration area. According to the on-site measurement of the working resistance at the end of hydraulic support cycle, the initial pressure step of the working face under the overlying coal rock body is 48.9-55.7 m, with the peak value of 38 MPa, the cycle pressure step is 9.0-23.3 m, with the peak value of 36 MPa, and the dynamic load factor of the working face is 1.14-1.16; relative to the overlying coal rock body, the average decrease of the cycle pressure step is nearly 10% and the average increase of dynamic load factor is 1.14-1.16; compared with that under the overlying coal rock body, the average decrease of the cycle pressure step is nearly 10% and the average increase of dynamic load factor is 1.14-1.16. Compared with the overlying coal rock body, the average decrease of the cycle pressure step under the overlying mining zone is nearly 10%, the average increase of the dynamic load factor is 20%, and there is no obvious regularity and periodicity in the direction of strike, and the working face is divided into three parts along the direction of strike: high-pressure zone, transition zone, and low-pressure zone. Therefore, in the process of mining under the overlying coal rock body, we should strengthen the roadway peripheral rock support and roof and floor management, which is of guiding significance to the mining of similar working faces and mine safety production.

A Reversible Six-Electron Transfer Cathode for Advanced Aqueous Zinc Batteries.

The electrochemical reactions for the storage of Zn2+ while embracing more electron transfer is a foundation of the future high-energy aqueous zinc batteries. Herein, we report a six-electron transfer electrochemistry of nano-sized TeO2 /C (n-TeO2 /C) cathode by facilitating the reversible conversion of TeO2 ↔Te and Te↔ZnTe. Benefitting from the integrated conductive nanostructure and the proton-rich environment in providing optimized electrochemical kinetics (facilitated Zn2+ uptake and high electronic conductivity) and feasible thermodynamic process (low Gibbs free energy change), the as-prepared n-TeO2 /C with stable cycling performance exhibits a superior reversible capacity of over 800 mAh g-1 at 0.1 A g-1 . A precise understanding of the reaction mechanism via ex situ and in situ characterizations presents that the reversible six-electron transfer reaction is proton-dependent, and a proton generating and consuming mechanism of three-phase conversion n-TeO2 /C in the weakly acidic electrolyte is thoroughly revealed.

Research on Output Characteristics of Microscale BST Laminate Structure Based on Mixed Finite Element Method.

The flexoelectric effect, which is sensitive to size, refers to the phenomenon of coupling between the strain gradient and electrical polarization and involves higher-order derivatives of physical quantities such as displacement, and the analytical process is complicated and difficult. Therefore, in this paper, a mixed finite element method is developed considering the effects of size effect and flexoelectric effect on the electromechanical coupling behavior of microscale flexoelectric materials. Based on the theoretical model of enthalpy density and the modified couple stress theory, the theoretical model and finite element model of microscale flexoelectric effect are established, and the Lagrange multiplier is used to coordinate the higher-order derivative relationship between the displacement field and its gradient, and the C1 continuous quadrilateral 8-node (displacement and potential) and 4-node (displacement gradient and Lagrange multipliers) flexoelectric mixed element. By comparing the numerical calculation results and analytical solutions of the electrical output characteristics of the microscale BST/PDMS laminated cantilever structure, it is proved that the mixed finite element method designed in this paper is an effective tool for studying the electromechanical coupling behavior of flexoelectric materials.

Marine-montane transitions coupled with gill and genetic convergence in extant crustacean.

Marine-terrestrial transition represents an important aspect of organismal evolution that requires numerous morphological and genetic innovations and has been hypothesized to be caused by geological changes. We used talitrid crustaceans with marine-coastal-montane extant species at a global scale to investigate the marine origination and terrestrial adaptation. Using genomic data, we demonstrated that marine ancestors repeatedly colonized montane terrestrial habitats during the Oligocene to Miocene. Biological transitions were well correlated with plate collisions or volcanic island formation, and top-down cladogenesis was observed on the basis of a positive relationship between ancestral habitat elevation and divergence time for montane lineages. We detected convergent variations of convoluted gills and convergent evolution of SMC3 associated with montane transitions. Moreover, using CRISPR-Cas9 mutagenesis, we proposed that SMC3 potentially regulates the development of exites, such as talitrid gills. Our results provide a living model for understanding biological innovations and related genetic regulatory mechanisms associated with marine-terrestrial transitions.

Development of a Novel HER2-Targeted Peptide Probe for Dual-Modal Imaging of Tumors.

Human epidermal growth factor receptor 2 (HER2) may serve as a valid target for diagnosis of cancer. The probes with capability for near-infrared window one region II (NIR-II) and positron emission tomography (PET) dual-modal imaging are highly desired for HER2-positive tumor detection. Herein, three HER2-targeted peptides were designed and further modified with indocyanine green (ICG) and 2,2',2″,2″-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid (DOTA), which were used for NIR-II imaging and complexation with 68Ga for PET. Among the resulted probes (DOTA-ZC01-ICG, DOTA-KSP-ICG, and DOTA-ZC02-ICG), NIR-II imaging revealed that DOTA-ZC02-ICG had the best tumor imaging performance in SKOV3 tumor-bearing mice. The highest T/N ratio (5.4) was achieved at 4 h post-injection. Furthermore, DOTA-ZC02-ICG was radiolabeled with 68Ga to generate [68Ga]-DOTA-ZC02-ICG for PET, and it clearly delineated at 0.5, 1, and 2 h post-injection. The tumor uptake reached 1.9 %ID/g at 0.5 h, and the tumor uptakes were significantly inhibited in the blocking study (p < 0.05). Overall, it provides a promising technique for tumor dual-modal imaging and a new molecular scaffold for developing HER2-targeted theranostic agents.

Interactive Effect of Irrigation Volume and Planting Density on Growth and Salt Uptake in Field-Grown Drip-Irrigated Suaeda salsa (L.) Pall.

Planting halophytes such as Suaeda salsa (L.) Pall. under drip irrigation is a viable solution for the remediation of saline soils. We conducted this study to investigate the effects of different irrigation volumes and planting densities on the growth and salt uptake of Suaeda salsa under drip irrigation. The plant was cultivated in a field using drip irrigation at various irrigation volumes (3000 m·hm-2 (W1), 3750 m·hm-2 (W2), and 4500 m·hm-2 (W3)) and planting densities (30 plants·m-2 (D1), 40 plants·m-2 (D2), 50 plants·m-2 (D3), and 60 plants·m-2 (D4)) to examine the effects on growth and salt uptake. The study revealed that the amount of irrigation, planting density, and interaction between the two significantly affected the growth characteristics of Suaeda salsa. The plant height, stem diameter, and canopy width increased simultaneously with an increase in the irrigation volume. However, with an increasing planting density and the same irrigation volume, the plant height first increased and then decreased, while the stem diameter and canopy width decreased simultaneously. The biomass of D1 was the highest with the W1 irrigation, while that of D2 and D3 were highest with the W2 and W3 irrigations. The amount of irrigation, planting density, and their interaction significantly affected the ability of Suaeda salsa to absorb salt. The salt uptake increased initially and then decreased with an increasing irrigation volume. At the same planting density, the salt uptake of Suaeda salsa with the W2 treatment was 5.67~23.76% and 6.40~27.10% higher than that with W1 and W3, respectively. Using the multiobjective spatial optimization method, the scientific and reasonable irrigation volume for planting Suaeda salsa in arid areas was determined to be 3276.78~3561.32 m3·hm-2, and the corresponding planting density was 34.29~43.27 plants·m-2. These data can be a theoretical basis for planting Suaeda salsa under drip irrigation to improve saline-alkali soils.

How Does Molecular Diameter Correlate with the Penetration Barrier of Small Gas Molecules on Porous Carbon-Based Monolayer Membranes?

Molecular diameter is an essential molecule-size descriptor that is widely used to understand, e.g., the gas separation preference of a permeable membrane. In this contribution, we have proposed two new molecular diameters calculated respectively by the circumscribed-cylinder method (Dn') and the group-separated method (Dn), and compared them with the already known kinetic diameter (Dk), averaged diameters (Dpa), and maximum diameters (Dpm and Dmm) in correlating with the penetration barriers of small gas molecules on a total of 14 porous carbon-based monolayer membranes (PCMMs). D1' and D2' give the best barrier-diameter correlations with average Pearson's correlation coefficients of 0.91 and 0.90, which are markedly larger than those (0.77, 0.76, 0.60, 0.48, 0.33, and 0.32) for D1, D2, Dk, Dpa, Dpm, and Dmm. Our results manifest that the choice of vdW radii set does not drastically change the barrier-diameter correlation. Our newly defined D1', D2', D1, and D2, especially D1' and D2', show universal applicability in predicting the relative permeability of small gas molecules on different PCMMs. The circumscribed-cylinder method proposed here is a facile approach that considers the molecule's directionality and can be applicable to larger molecules. The excellent linear correlation between Dn' and gas penetration barrier implies that the computationally less demanding molecular diameter Dn' can be an alternative to the penetration barrier in diagnosing the gas separation preference of the PCMMs.

Novel HER2-Targeted Peptide for NIR-II Imaging of Tumor.

Molecular targets serve a crucial role in drug development. Herein, we discovered a novel peptide that can specifically target the human epidermal growth factor receptor 2 (HER2) and thus named it Herceptide. In our study, Herceptide was conjugated to the near-infrared fluorescent dye indocyanine green (ICG) to obtain a probe, ICG-Herceptide. Importantly, specific binding to HER2 was revealed by molecular docking, surface plasmon resonance analysis, and competition assays. The probe showed high binding affinity (KD = 1.03 nM) and fast binding property (kon = 0.44 min-1). In vivo near-infrared window two (NIR-II, 1000-1700 nm) imaging in HER2-overexpressed SKOV3 tumor-bearing mice demonstrated a high tumor-to-normal tissue signal ratio (T/N = 7.3) at 8 h postinjection. In the blocking study, ICG-Herceptide coinjected with Herceptide only showed a weak tumor signal. In other HER2 high-expression tumors, such as non-small-cell lung cancer A549 and gastric cancer MKN45, the tumor-to-normal tissue signal ratios (T/N) were 4.1 and 4.7, respectively. In contrast, HER2 low-expression tumor MDAMB231 shows no imaging contrast between the tumor and normal tissues. Furthermore, tumor resection was successfully performed under the guidance of the ICG-Herceptide-based NIR-II imaging in subcutaneous SKOV3 mice models. The biocompatibility study indicated that the probe had no observable toxicity to cells and tissues. Overall, these results demonstrate that ICG-Herceptide is a promising optical probe for the diagnosis and localization of HER2-overexpressing tumors. Moreover, Herceptide is a novel HER2-targeting peptide and can be further used for developing theranostic agents.

Energy Level, Crystal Morphology and Fluorescence Emission Tuning in Cocrystals via Molecular-Level Engineering.

Organic donor-acceptor complexes as new organic semiconductor class have attracted wide attention, due to their potential applications in functional optoelectronics. Herein, we present two new charge transfer cocrystals of di-cyanodiazafluorene -perylene (DCPE) and di-cyanodiazaflfluorene-pyrene (DCPY) through a rational cocrystal-engineering strategy. Although they are both 1 : 1 mixed stacking cocrystals with similar chemical structures, the DCPE cocrystal possesses a non-centrosymmetric space group and narrower band gap compared to DCPY cocrystal, because of the non-covalent bonding variation. The electrostatic potential accumulated in the lateral facets leads to highly twisted DCPE nanobelts, and the small band gap causes near infrared fluorescence. Meanwhile, the DCPY crystals with centrosymmetric space groups and weaker intermolecular interactions exhibited an untwisted morphology and red emission. This study will be helpful for the design and understanding of functional cocrystal materials that can be used in flexible micro/nano-mechanics, mechanical energy, and optical devices.

Recent Advances in Hepatocellular Carcinoma Treatment with Radionuclides.

As the third leading cause of cancer death worldwide, hepatocellular carcinoma (HCC) is characterized by late detection, difficult diagnosis and treatment, rapid progression, and poor prognosis. Current treatments for liver cancer include surgical resection, radiofrequency ablation, liver transplantation, chemotherapy, external radiation therapy, and internal radionuclide therapy. Radionuclide therapy is the use of high-energy radiation emitted by radionuclides to eradicate tumor cells, thus achieving the therapeutic effect. Recently, with the continuous development of biomedical technology, the application of radionuclides in treatment of HCC has progressed steadily. This review focuses on three types of radionuclide-based treatment regimens, including transarterial radioembolization (TARE), radioactive seed implantation, and radioimmunotherapy. Their research progress and clinical applications are summarized. The advantages, limitations, and clinical potential of radionuclide treatment of HCC are discussed.

First clinical applications for the NIR-II imaging with ICG in microsurgery.

In microsurgery, it is always difficult to accurately identify the blood supply with ease, such as vascular anastomosis, digit replantation, skin avulsion reconstruction and flap transplantation. Near-infrared window I (NIR-I, 700-900 nm) imaging has many clinical applications, whereas near-infrared window II (NIR-II, 1,000-1700 nm) imaging has emerged as a highly promising novel optical imaging modality and used in a few clinical fields recently, especially its penetration distance and noninvasive characteristics coincide with the needs of microsurgery. Therefore, a portable NIR-II imaging instrument and the Food and Drug Administration (FDA) approved indocyanine green (ICG) were used to improve the operation efficiency in microsurgery of 39 patients in this study. The anastomotic vessels and the salvaged distal limbs were clearly visualized after intravenous injection of ICG. The technique enabled identification of perforator vessels and estimation of perforator areas prior to the flap obtention and made it easier to monitor the prognosis. Overall, this study highlights the use of the portable NIR- II imaging with ICG as an operative evaluation tool can enhance the safety and accuracy of microsurgery.

J-aggregates albumin-based NIR-II fluorescent dye nanoparticles for cancer phototheranostics.

Phototheranostics, relying on energy conversions of fluorophores upon excitation, integrating diagnostic fluorescence imaging and photo-driven therapy, represents a promising strategy for cancer precision medicine. Compared with the first near-infrared biological window (NIR-I), fluorophores imaged in the second window (NIR-II, 1000-1700 â€‹nm) exhibit a higher temporal and spatial resolution and tissue penetration depth. Polymethine cyanine-based dye IR1061 is a typical NIR-II small-molecule organic fluorophore, but its low water solubility and short circulation time limiting its biological applications. Therefore, human serum albumin (HSA) nanoparticles with great biocompatibility and biosafety were employed to fabricate hydrophobic IR1061, which exhibited red-shifted absorption band as typical for J-aggregates. Moreover, IR1061@HSA nanoparticles can be successfully used for NIR-II imaging to noninvasively visualize the tumor vascular networks, as well as real-time intraoperative image-guided tumor resection. Interestingly, benefiting from the high photothermal conversion efficiency brought by J-aggregates, IR1061@HSA nanoparticles were also explored for photothermal therapy (PTT) and cause efficient thermal ablation of tumors. Overall, IR1061@HSA, as a novel J-aggregates albumin-based NIR II dye nanoparticle with high biocompatibility, provides an integrated versatile platform for cancer phototheranostics with promising clinical translation prospects.

LY2874455 and Abemaciclib Reverse FGF3/4/19/CCND1 Amplification Mediated Gefitinib Resistance in NSCLC.

Non-small cell lung carcinoma (NSCLC) patients who initially received tyrosine kinase inhibitor (TKI) therapy often acquired resistance via multiple complex mechanisms. The amplification of FGF3/4/19/CCND1 on chromosome 11q13 was found in many cancers with TKI resistance. However, the role of these amplifications in TKI-resistant NSCLC remains uncovered. Here, we generated the FGF3/4/19/CCND1 amplification model in the NSCLC cell lines PC-9 and HCC827. Upregulation of FGF3/4/19/CCND1 strongly promoted cell proliferation and gefitinib resistance in NSCLC cells. To find out the potential therapeutic strategies, we screened the combination of inhibitors against the FGF/FGFR signaling pathway and the CCND1/CDK4 complex and revealed that gefitinib combined with LY2874455 and abemaciclib exhibited the most effective inhibition of resistance in vitro and in vivo. Mechanistically, FGFs/CCND1 activated the MAPK pathway, which was abolished by the combination drugs. Our study provides a rationale for clinical testing of dual targeting FGFR and CCND1 with LY2874455 and abemaciclib in NSCLC patients who harbored FGF3/4/19/CCND1 amplification.

Anti-atherosclerotic Effects of Myrtenal in High-Fat Diet-Induced Atherosclerosis in Rats.

The major cause of death worldwide is atherosclerosis-related cardiovascular disease (ACD). Myrtenal was studied to determine control rats were given standard diets and a high-fat diet was given to AS model groups. Atherosclerosis-related cardiovascular disease (ACD) is globally attributed to being a predominant cause of mortality. While the beneficial effects of Myrtenal, the monoterpene from natural compounds, are increasingly being acknowledged, its anti-atherosclerotic activity has not been demonstrated clearly. The present study is proposed to determine the anti-atherosclerotic activity of Myrtenal in high-fat diet-induced atherosclerosis (AS) rat models. Control groups were maintained with standard diets, the AS model rats were provided a high-fat diet, two of the experimental groups fed with a high-fat diet were treated with Myrtenal (50 mg/kg and 100 mg/kg), and one experimental group on high-fat diet was treated with simvastatin (10 mg/kg) for 30 days. The levels of inflammatory cytokines were analyzed using kits. The lipoproteins and the lipid profile were estimated using an auto-analyzer. The atherogenic index and marker enzyme activities were also determined. Serum concentrations of 6-keto-prostaglandin F1α (6-keto-PGF1α), thromboxaneB2 (TXB2), endothelin (ET), and nitric oxide (NO) were measured. The AS model groups indicated altered lipid profile, lipoprotein content, atherogenic index, calcium levels, HMG-CoA reductase activity, collagen level, and mild mineralization indicating atherosclerosis, while the AS-induced Myrtenal-treated groups demonstrated anti-atherogenic activity. The Myrtenal-treated groups exhibited a decreased TC, TG, and LDLc levels; increased HDLc levels; and a decline in the inflammatory cytokines such as CRP, IL-1ß, IL-8, and IL-18 when compared to the untreated AS rats. Furthermore, Myrtenal decreased ET, TXB2, and 6-keto-PGF1α levels indicating its anti-atherosclerotic activity. The study results thus indicate that Myrtenal modulates the lipid metabolic pathway to exert its anti-atherosclerotic activity.