Enhancing antioxidant properties of CeO2 nanoparticles with Nd3+ doping: structural, biological, and machine learning insights.

The antioxidant capabilities of nanoparticles are contingent upon various factors, including their shape, size, and chemical composition. Herein, novel Nd-doped CeO2 nanoparticles were synthesized and the neodymium content was varied to investigate the synergistic impact on the antioxidant properties of CeO2 nanoparticles. Incorporating Nd3+ induced changes in lattice parameters and significantly altered the morphology from nanoparticles to nanorods. The biological activity of Nd-doped CeO2 was examined against pathogenic bacterial strains, breast cancer cell lines, and antioxidant models. The antibacterial and anticancer activities of nanoparticles were not observed, which could be associated with the Ce3+/Ce4+ ratio. Notably, the incorporation of neodymium improved the antioxidant capacity of CeO2. Machine learning techniques were employed to forecast the antioxidant activity to enhance understanding and predictive capabilities. Among these models, the random forest model exhibited the highest accuracy at 96.35%, establishing it as a robust computational tool for elucidating the biological behavior of Nd-doped CeO2 nanoparticles. This study presents the first exploration of the influence of Nd3+ on the structural, optical, and biological attributes of CeO2, contributing valuable insights and extending the application of machine learning in predicting the therapeutic efficacy of inorganic nanomaterials.

Effects of Heat Treatment on the Physicochemical Properties and Electrochemical Behavior of Biochars for Electrocatalyst Support Applications.

The present work reports the synthesis and the physicochemical characterization of biochar from the organic wastes of nopal (Opuntia Leucotricha), coffee grounds (Coffea arabica) and Ataulfo mango seeds (Mangifera indica) as alternative electrocatalyst supports to Vulcan XC-72 carbon black. The biochars were prepared using pyrolysis from organic wastes collected at three temperatures, 600, 750 and 900 °C, under two atmospheres, N2 and H2. The synthesized biochars were characterized using Raman spectroscopy and scanning electron microscopy (SEM) to obtain insights into their chemical structure and morphological nature, respectively, as a function of temperature and pyrolysis atmosphere. A N2 adsorption/desorption technique, two-point conductivity measurements and cyclic voltammetry (CV) were conducted to evaluate the specific surface area (SSA), electrical conductivity and double-layer capacitance, respectively, of all the biochars to estimate their physical properties as a possible alternative carbon support. The results indicated that the mango biochar demonstrated the highest properties among all the biochars, such as an electrical conductivity of 8.3 S/cm-1 at 900 °C in N2, a specific surface area of 829 m2/g at 600 °C in H2 and a capacitance of ~300 mF/g at 900 °C in N2. The nopal and coffee biochars exhibited excellent specific surface areas, up to 767 m2/g at 600 °C in N2 and 699 m2/g at 750 °C in H2, respectively; nonetheless, their electrical conductivity and capacitance were limited. Therefore, the mango biochar at 900 °C in N2 was considered a suitable alternative carbon material for electrocatalyst support. Additionally, it was possible to determine that the electrical conductivity and capacitance increased as a function of the pyrolysis temperature, while the specific surface area decreased for some biochars as the pyrolysis temperature increased. Overall, it is possible to conclude that heat treatment at a high temperature of 900 °C enhanced the biochar properties toward electrocatalyst support applications.

Differential Proliferation Effect of the Newly Synthesized Valine, Tyrosine and Tryptophan-Naphthoquinones in Immortal and Tumorigenic Cervical Cell Lines.

We previously showed that microwave assisted synthesis is the best method for the synthesis of naphthoquinone amino acid and chloride-naphthoquinone amino acid derivatives by a complete evaluation of reaction conditions such as stoichiometry, bases, and pH influence. Following the same strategy, we synthesized chloride and non-chloride tyrosine, valine, and tryptophan-naphthoquinones achieving 85-95%, 80-92%, and 91-95% yields, respectively. The cyclic voltammetry profiles showed that both series of naphthoquinone amino acid derivatives mainly display one redox reaction process. Overall, chloride naphthoquinone amino acid derivatives exhibited redox potential values (E1/2) more positive than non-chloride compounds. The six newly synthesized compounds were tested in HPV positive and negative as well as in immortal and tumorigenic cell lines to observe the effects in different cellular context simulating precancerous and cancerous status. A dose-response was achieved to determine the IC50 of six newly synthesized compounds in SiHa (Tumorigenic and HPV16 positive), CaLo (Tumorigenic and HPV18 positive), C33-A (Tumorigenic and HPV negative) and HaCaT (Keratinocytes immortal HPV negative) cell lines. Non-chloride tryptophan-naphthoquinone (3c) and chloride tyrosine-naphthoquine (4a) effects were more potent in tumorigenic SiHa, CaLo, and C33-A cells with respect to non-tumorigenic HaCaT cells. Interestingly, there seems to be a differential effect in non-chloride and chloride naphthoquinone amino acid derivatives in tumorigenic versus non tumorigenic cells. Considering all naphthoquinone amino acid derivatives that our group synthesized, it seems that hydrophobic and aromatic amino acids have the greatest effect on cell proliferation inhibition. These results show promising compounds for cervical cancer treatment.