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International Journal of Molecular... May 2024Recently, a compound derived from recent scientific advances named has emerged as the focus of this research, the aim of which is to explore its potential impact on...
Recently, a compound derived from recent scientific advances named has emerged as the focus of this research, the aim of which is to explore its potential impact on solid tumor cell lines. Using a combination of bioinformatics and biological assays, this study conducted an in-depth investigation of the effects of . The results of this study have substantial implications for cancer research and treatment. has shown remarkable efficacy in inhibiting the growth of several cancer cell lines, including those representing prostate carcinoma (PC3) and cervical carcinoma (HeLa). The high sensitivity of these cells, indicated by low IC values, underscores its potential as a promising chemotherapeutic agent. In addition, has revealed the ability to induce cell cycle arrest, particularly in the G2/M phase, a phenomenon with critical implications for tumor initiation and growth. By interfering with DNA replication in cancer cells, has shown the capacity to trigger cell death, offering a new avenue for cancer treatment. In addition, computational analyses have identified key genes affected by treatment, suggesting potential therapeutic targets. These genes are involved in critical biological processes, including cell cycle regulation, DNA replication and microtubule dynamics, all of which are central to cancer development and progression. In conclusion, this study highlights the different mechanisms of that inhibit cancer cell growth and alter the cell cycle. These promising results suggest the potential for more effective and less toxic anticancer therapies. Further in vivo validation and exploration of combination therapies are critical to improve cancer treatment outcomes.
Topics: Humans; Microtubules; Antineoplastic Agents; Cell Line, Tumor; Acrylonitrile; Cell Proliferation; Neoplasms; HeLa Cells; Apoptosis; Triazoles; Cell Cycle Checkpoints; Tubulin Modulators; PC-3 Cells
PubMed: 38891892
DOI: 10.3390/ijms25115704 -
Polymers Jun 2024Fused Deposition Modeling (FDM) is a well-established manufacturing method for producing both prototype and functional components. This study investigates the mechanical...
Fused Deposition Modeling (FDM) is a well-established manufacturing method for producing both prototype and functional components. This study investigates the mechanical properties of FDM components by material and process-related influencing variables. Tensile tests were conducted on seven different materials in their raw filament form, two of which were fiber-reinforced, to analyze their material-related influence. To cover a wide range from standard to advanced materials relevant for load-carrying components as well as their respective variations, polylactic acid (PLA), 30% wood-fiber-reinforced PLA, acrylonitrile butadiene styrene (ABS), polycarbonate (PC), a blend of ABS and PC, Nylon, and 30% glass-fiber-reinforced Nylon were selected. The process-related influencing variables were studied using the following process parameters: layer thickness, nozzle diameter, build orientation, nozzle temperature, infill density and pattern, and raster angle. The first test series revealed that the addition of wood fibers significantly worsened the mechanical behavior of PLA due to the lack of fiber bonding to the matrix and significant pore formation. The polymer blend of ABS and PC only showed improvements in stiffness. Significant strength and stiffness improvements were found by embedding glass fibers in Nylon, despite partially poor fiber-matrix bonding. The materials with the best properties were selected for the process parameter analysis. When examining the impact of layer thickness on part strength, a clear correlation was evident. Smaller layer thicknesses resulted in higher strength, while stiffness did not appear to be affected. Conversely, larger nozzle diameters and lower nozzle temperatures only positively impacted stiffness, with little effect on strength. The part orientation did alter the fracture behavior of the test specimens. Although an on-edge orientation resulted in higher stiffness, it failed at lower stresses. Higher infill densities and infill patterns aligned with the load direction led to the best mechanical results. The raster angle had a significant impact on the behavior of the printed bodies. An alternating raster angle resulted in lower strengths and stiffness compared to a unidirectional raster angle. However, it also caused significant stretching due to the rotation of the beads.
PubMed: 38891522
DOI: 10.3390/polym16111576 -
Heliyon Jun 2024Acrylonitrile butadiene styrene (ABS) composites were prepared in filament form compatible with the material extrusion (MEX) 3D printing method, using biochar as a...
Acrylonitrile butadiene styrene (ABS) composites were prepared in filament form compatible with the material extrusion (MEX) 3D printing method, using biochar as a filler at various loadings of up to 10.0 wt %. Samples were fabricated to experimentally investigate their mechanical performance. The ABS/biochar composites were characterized using thermogravimetric analysis, differential scanning calorimetry, Raman spectroscopy, and rheological tests. The electrical properties of the composites were investigated using broadband dielectric spectroscopy. Scanning electron microscopy was utilized to analyze the morphological features of the fabricated specimens by examining their side and fracture surfaces. The results indicate that the composite with 4.0 wt % biochar content compared to pure ABS showed the highest mechanical response between the prepared composites (24.9 % and 21 % higher than the pure ABS tensile and flexural strength respectively). The composites retained their insulating behavior. These findings contribute to expanding the utilization of the material extrusion (MEX) 3D printing method while also unlocking prospects for potential applications in microelectronics, apart from mechanical reinforcement.
PubMed: 38882316
DOI: 10.1016/j.heliyon.2024.e32094 -
ACS Omega Jun 2024In this study, the functionality of an elastomer composite material containing polypyrrole (PPy) as a stress sensor was evaluated. The material was prepared using the...
In this study, the functionality of an elastomer composite material containing polypyrrole (PPy) as a stress sensor was evaluated. The material was prepared using the swelling method by diffusing the pyrrole monomer into the elastomer before polymerization. To achieve adequate diffusion, organic solvents with affinity for the elastomer were used. The resulting materials were characterized by scanning electron microscopy (SEM), surface electrical resistance, and thermal and mechanical properties for application as a stress sensor. The simultaneous change in electrical resistance and tension stress was measured using a digital multimeter with electrodes connected to the jaws of a universal mechanical testing machine. The influence of stress cycles on the piezoresistivity of the composite materials was investigated. The obtained PPy/NBR composite presented a good combination of electrical conductivity and mechanical properties. The strain at break remained with mild variation after coating with PPy.
PubMed: 38882075
DOI: 10.1021/acsomega.4c02166 -
Journal of Environmental Management Jul 2024The newly discovered ClO• and BrO• contribute to pollutant degradation in advanced oxidation processes, while acrylamide (AM) and acrylonitrile (ACN) are always the...
The newly discovered ClO• and BrO• contribute to pollutant degradation in advanced oxidation processes, while acrylamide (AM) and acrylonitrile (ACN) are always the focus of scientists concerned due to their continuous production and highly toxic effects. Moreover, various particles with a graphene-like structure are the companions of AM/ACN in dry/wet sedimentation or aqueous phase existence, which play an important role in heterogeneous oxidation. Thus, this work focuses on the reaction mechanism and environmental effect of AM/ACN with ClO•/BrO•/HO• in the water environment under the influence of graphene (GP). The results show that although the reactivity sequence of AM and ACN takes the order of with HO• > with BrO• > with ClO•, the easiest channel always occurs at the same C-position of the two reactants. The reaction rate constants (k) of AM with three radicals are 2 times larger than that with ACN, and amide groups have a better ability to activate CC bonds than cyanide groups. The existence of GP can accelerate the target reaction, and the k increased by 9-13 orders of magnitude. The toxicity assessment results show that the toxic effect of most products is lower than that of parent compounds, but the environmental risk of products from ClO•/BrO•-adducts is higher than those from HO•-adducts. The oxidative degradation process based on ClO• and BrO• deserves special attention, and the catalytic effect of GP and its derivatives on the oxidation process is non-negligible.
Topics: Acrylonitrile; Acrylamide; Graphite; Oxidation-Reduction; Water Pollutants, Chemical; Models, Theoretical; Hydroxyl Radical
PubMed: 38878582
DOI: 10.1016/j.jenvman.2024.121473 -
Anais Da Academia Brasileira de Ciencias 2024The blend of butadiene and acrylonitrile copolymer (NBR) with natural poly-cis-isoprene (NR) shows increased resistance to swelling in solvents in comparison to the... (Comparative Study)
Comparative Study
The blend of butadiene and acrylonitrile copolymer (NBR) with natural poly-cis-isoprene (NR) shows increased resistance to swelling in solvents in comparison to the individual components. In aerospace, NBR rubber is used as thermal protection for rockets and shall not contain other polymers, even in low contents, otherwise, it can affect the protection performance and rocket safety by causing detachment of the elastomer/propellant interface; therefore, this investigation presents methodologies to determine the NR/NBR contents. This study explores different analytical techniques, such as Raman spectroscopy and Fourier transform infrared (FTIR) spectroscopy, in the mid-infrared (MIR) by reflection and in the near-infrared by reflectance (NIRA) modes, Furthermore, quantification strategies by univariate, bivariate and multivariate (chemometric) models are evaluated and compared. A proposed methodology, based on multivariate Raman microscopy with partial least squares regression (PLS), showed high linearity (R2 > 0.99) and low error (< 0.82 %). The validation of FT-MIR data for the CH3, which presented lower error (1.3%) than vinylidene band (6%), showed that both methodologies (reflection and NIRA reflectance) can be used for the quantification of NR in NR/NBR. These results constitute a contribution to the state of the art in researching industrial and aerospace elastomeric applications.
Topics: Spectrum Analysis, Raman; Rubber; Spectroscopy, Fourier Transform Infrared; Butadienes
PubMed: 38865508
DOI: 10.1590/0001-3765202420230387 -
ACS Omega Jun 2024An unprecedented and efficient three-component 1,3-dipolar cycloaddition reaction using (2-(benzo[d]thiazol-2-yl)-3-(aryl)acrylonitriles - and an in situ generated...
Study on Regio- and Diastereoselectivity of the 1,3-Dipolar Cycloaddition Reaction of Azomethine Ylide with 2-(Benzo[]thiazol-2-yl)-3-(aryl)acrylonitrile: Synthesis, Spectroscopic, and Computational Approach.
An unprecedented and efficient three-component 1,3-dipolar cycloaddition reaction using (2-(benzo[d]thiazol-2-yl)-3-(aryl)acrylonitriles - and an in situ generated azomethine ylide from isatin and -methylglycine is described. The reaction exhibits exclusive regioselectivity, resulting in the formation of 3'-(benzo[]thiazol-2-yl)-1'-methyl-2-oxo-4'-(aryl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitriles regioisomers through / approaches. The diastereoselectivity of the reaction is highly dependent on the substitution pattern of the phenyl ring in dipolarophiles -, leading to the formation of /-cycloadducts in varying ratios. To understand the stereoselectivity, the transition state structures were optimized using the TS guess geometry with the QST3-based method. The reaction mechanism and regioselectivity were elucidated by evaluating global and local electrophilicity and nucleophilicity descriptors at the B3LYP/cc-pVTZ level of theory, along with considerations based on the HSAB principle. The analysis of global electron density transfer (GEDT) showed that the reactions are polar and electron density fluxes from azomethine ylide toward dipolarophile -. It was found from the molecular electrostatic potential map (MESP) that at the more favorable transition state, approach of reactants locates the oppositely charged regions over each other resulting in attractive forces between the two fragments. The computational results are consistent with the experimental observations, confirming that the reactions proceed through an asynchronous one-step mechanism.
PubMed: 38854577
DOI: 10.1021/acsomega.4c01552 -
Scientific Reports Jun 2024This study explores the mechanical properties and fracture characteristics of additively manufactured acrylonitrile butadiene styrene specimens, focusing on the impact...
This study explores the mechanical properties and fracture characteristics of additively manufactured acrylonitrile butadiene styrene specimens, focusing on the impact of raster angle and post-process heat treatment. To this end, a large number of tensile and semi-circular bending samples with three distinct raster angles of 0/90°, 22/ - 68°, and 45/ - 45° were prepared and exposed to four types of heat treatments with different temperature and pressure conditions. Simultaneously, theoretical models of maximum tangential stress (MTS) and generalized MTS (GMTS) were developed to estimate the onset of specimen fracture under mixed-mode in-plane loading conditions. Recognizing the non-linear behavior within the stress-strain curve of tensile test samples, particularly in the annealed samples, an effort was undertaken to transform the original ductile material into a virtual brittle material through the application of the equivalent material concept (EMC). This approach serves the dual purpose of bypassing intricate and tedious elastoplastic analysis, while concurrently enhancing the precision of the GMTS criterion. The experimental findings have revealed that while the annealing process has a minimal effect on the yield strength, it considerably enhances energy absorption capacity, increases fracture toughness, and reduces the anisotropy. Additionally, the combined EMC-GMTS criterion has demonstrated its capability to predict the failure of the additively manufactured parts with an acceptable level of accuracy.
PubMed: 38851832
DOI: 10.1038/s41598-024-64136-y -
Frontiers in Public Health 2024An increasing body of research has demonstrated a correlation between pollutants from the environment and the development of cardiovascular diseases (CVD). However, the...
INTRODUCTION
An increasing body of research has demonstrated a correlation between pollutants from the environment and the development of cardiovascular diseases (CVD). However, the impact of volatile organic chemicals (VOC) on CVD remains unknown and needs further investigation.
OBJECTIVES
This study assessed whether exposure to VOC was associated with CVD in the general population.
METHODS
A cross-sectional analysis was conducted utilizing data from five survey cycles (2005-2006, 2011-2012, 2013-2014, 2015-2016, and 2017-2018) of the National Health and Nutrition Examination Survey (NHANES) program. We analyzed the association between urinary VOC metabolites (VOCs) and participants by multiple logistic regression models, further Bayesian Kernel Machine Regression (BKMR) models and Weighted Quantile Sum (WQS) regression were performed for mixture exposure analysis.
RESULTS
Total VOCs were found to be positively linked with CVD in multivariable-adjusted models (p for trend = 0.025), independent of established CVD risk variables, such as hypertension, diabetes, drinking and smoking, and total cholesterol levels. Compared with the reference quartile of total VOCs levels, the multivariable-adjusted odds ratios in increasing quartiles were 1.01 [95% confidence interval (CI): 0.78-1.31], 1.26 (95% CI: 1.05-1.21) and 1.75 (95% CI: 1.36-1.64) for total CVD. Similar positive associations were found when considering individual VOCs, including AAMA, CEMA, CYMA, 2HPMA, 3HPMA, IPM3 and MHBMA3 (acrolein, acrylamide, acrylonitrile, propylene oxide, isoprene, and 1,3-butadiene). In BKMR analysis, the overall effect of a mixture is significantly related to VOCs when all chemicals reach or exceed the 75th percentile. Moreover, in the WQS models, the most influential VOCs were found to be CEMA (40.30%), DHBMA (21.00%), and AMCC (19.70%).
CONCLUSION
The results of our study indicated that VOC was all found to have a significant association with CVD when comparing results from different models. These findings hold significant potential for public health implications and offer valuable insights for future research directions.
Topics: Humans; Volatile Organic Compounds; Nutrition Surveys; Cardiovascular Diseases; Cross-Sectional Studies; Male; Female; Middle Aged; Adult; Environmental Exposure; Risk Factors; Air Pollutants; United States; Aged
PubMed: 38846604
DOI: 10.3389/fpubh.2024.1378444 -
The Journal of Physical Chemistry. A Jun 20242-Butenenitrile (2-Bu) is a recently discovered crucial interstellar molecule. Herein, an abnormal NH band was observed in the infrared spectrum of the 2-Bu dimer...
2-Butenenitrile (2-Bu) is a recently discovered crucial interstellar molecule. Herein, an abnormal NH band was observed in the infrared spectrum of the 2-Bu dimer cation, suggestive of a proton transfer reaction within the cluster. Through a comprehensive theoretical analysis of the IR spectrum of (2-Bu), we discovered not only the formation of a new C-N bond through the attachment of one 2-Bu to another but also the occurrence of a proton transfer reaction in the cluster. This proton was identified as originating from the methyl group of the attaching 2-Bu in the cluster based on the analysis of IR spectra of (2-Bu) and [2-Bu-acrylonitrile (AN)]. Furthermore, the detailed reaction process of this ion-molecule reaction is examined with theoretical calculation. This finding contributes significantly to our deeper understanding of ion-molecule reactions in the gas phase and the formation of nitrogen-containing prebiotic molecules in the interstellar medium.
PubMed: 38833155
DOI: 10.1021/acs.jpca.4c01989