Transmission FTIR Research Articles

Study on molecular structural heterogeneity of tar-rich coal based on micro-FTIR.

The coal molecular structure in micro-areas plays a critical role in matrix thermal conduction and volatile generation during the pyrolysis of tar-rich coal. However, as a major maceral contributing to hydrocarbon generation, the molecular structures of different micro-areas in vitrinite show heterogeneity, which still lacks research. Micro-FTIR technology was used in this study to characterize the molecular structure in different micro-areas of tar-rich coal with varying tar yields. It exhibits a significant advantage in obtaining the molecular structure of the coal surface at the micrometer scale compared to transmission FTIR. The results have shown: Even within the homogeneous vitrinite under a microscope, the molecular structural heterogeneity in different micro-areas is also marked. Specifically, the functional groups in the 1100-1800cm-1 band show a greater heterogeneity than the 2800-3000cm-1 and 700-900cm-1 bands. In the former, the variation of the C=C, C-O, and -CH2- contents is particularly pronounced, indicating that aromatic structures, ether bonds, and alkyl structures are the key factors leading to heterogeneity. Furthermore, samples with higher tar yields exhibit weaker molecular structural heterogeneity. The above research provides theoretical guidance for analyzing the pyrolysis behavior of tar-rich coal.

Novel Syntheses of Wide-Band Gap Semiconducting CdxZnx−1Co2O4 of Spinel Nanostructure: Characterization and Optical Properties

AbstractCadmium doped zinc cobaltite spinel structure in the form of CdxZnx-1Co2O4 (0 ≤ x ≤ 1) are synthesized by sol-gel method. The energy dispersive X-ray spectra confirm the synthesis of pure ZnCo2O4 and Cd doped samples nanoparticles. Scanning and transmission electron microscopes images of Cd ZnCo2O4 samples show the cubic crystal structure of the nanoparticles. A good crystallinity of the ZnCo2O4 and its dopants samples are indicated by the sharpness and strong peaks of X-ray diffraction patterns. The particle size is independent of the ratio of incorporated Cd into the ZnCo2O4 matrix. The FT-IR transmission spectrum of each Cdx Zn1-xCo2O4 complex shows two strong vibration peaks that are ascribed to the spinel structure’s octahedral and tetrahedral. The absorption spectra reveal three distinct absorption characteristics for Cdx Znx-1Co2O4 peaking at 268, 532 and 778 nm due to the photoexcitation of electrons from O 2p to Co 3d transitions and d-d transition of Co 3d. N2 adsorption–desorption isotherms for Cdx Znx-1Co2O4 indicate are carried out.

Optimal synthetic route for obtaining Co/In layered double hydroxide

Cobalt-indium layered double hydroxides were successfully synthesized via coprecipitation and mechanochemical synthesis with subsequent soft hydrothermal treatment and additional crystallization. The latter method was shown to have advantages over coprecipitation and therefore the mechanochemical route was considered to be optimal for obtaining well-crystallized LDH samples, which do not contain extraneous crystalline phases within the detection limit of X-ray diffraction. The samples were characterized by FTIR spectroscopy, Raman spectroscopy, and transmission electron microscopy. The peroxidase-like activity of the samples was estimated, and the crystal lattice parameters were calculated. The possibility of obtaining cobalt-indium layered double hydroxides with a cationic ratio of Co2+: In3+ = 2 : 1 and 1.5 : 1 was shown. Increasing the aging temperature presumably led to the partial oxidation of cobalt in the samples into trivalent state resulted in the peroxidase-like activity of the samples.

Quantitative Analysis of the Li-Ion Solvation Structure in Li-Ion Battery Electrolytes Using ATR-FTIR Spectroscopy.

Attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy is widely used to study condensed materials due to its convenient sample preparation and ability to avoid absorption saturation. Recently, it has been applied to in situ and in operando observations of chemical reactions within electrochemical devices, such as lithium-ion batteries. However, because ATR-FTIR spectroscopy relies on frequency-dependent attenuated reflectance, quantitative concentration measurements of chemical species using the Beer-Lambert law are challenging. Despite the availability of several correction methods, discrepancies remain in the solvation structures around Li+ ions when comparing transmission-type FTIR and ATR-FTIR spectroscopy results, which complicate the determination of solvation and desolvation energies. In this study, we investigate ATR-FTIR correction algorithms, elucidate the reasons for the discrepancies between ATR-FTIR and transmission FTIR spectroscopy results, and develop a method to correct the ATR-FTIR spectrum to accurately determine the solvation structures around Li+ ions.

Green synthesis of silver nanoparticle for catalytic applications and priming study by seed germination

Silver nanoparticles (AgNPs) have been successfully synthesized using leaf extract of Neem (Azadirachta Indica), Mint (Mentha Piperita), Tulsi (Ocimum Tenuiflorum), Bermuda grass (Cynodon Dactylon) and silver salt. As plant extracts produce best capping material for the stabilization of nanoparticles. AgNPs were characterized by UV–Vis spectroscopy in range of 200–800 nm and transmission electron microscopy TEM, XRD and FTIR. The nanoparticles synthesized were mainly in sizes between 25 and 100 nm. They appeared to be spherical, nanotriangles and irregular in shape. Catalytic application was observed for all the aqueous solution of leaves, quantity taken was 1 ml, 2 ml, 3 ml, 4 ml and 5 ml. Furthermore, prepared Ag nanoparticles are also used for seed germination.

Ocimum basilicum L. leaves extract-mediated green synthesis of MnO NPs: Phytochemical profile, characterization, catalytic and thrombolytic activities

ObjectiveThe goal of the present work was the identification and quantification of the phenolic profile of sweet basil using LC-ESI-MS and to evaluation the ability of this plant to synthesise manganese nanoparticles MnONPs and evaluation of their catalytic and thrombolytic activities. Material and methodsStandard procedures were used to extract bioactive molecules and test qualitative phytochemical substances. Phenolic compounds were identified and quantified using LC-ESI-MS. Furthermore, visual observation, UV–Vis and FT-IR spectroscopy, scanning and transmission electron microscopes (SEM and TEM), and XRD technique were used to verify the green synthesis of ObE-MnO NPs. Dye degradation of ObE-MnO NPs was studied using photocatalytic and sonocatalytic activities. Moreover, in vitro thrombolytic activity was evaluated by clot lysis. ResultsResults of phytochemical essays showed that the aqueous extract of Ocimum basilicum L. is very rich in different chemical compounds that reduce and stabilize NPs. The results of the characterization of MnONPs show that the formation of these particles was proven by UV–Vis spectrum with the absorption peak at 405 nm, and also by FTIR spectrum at 470-522 cm−1. The study also confirmed that the MnONPs were spherical in shape with an average size of 6.52 ± 0.88 nm using TEM and SEM analysis, and that their size was 13.4 nm, tetragonal, and crystalline by XRD data. Results of catalytique activity show at a time of 240 min, an efficacy level of 70.18% and 58.90% for the photocatalytic and sonocatalytic activities. Ocimum basilicum L. extract and ObE-MnO NPs demonstrated a significant higher percentage of clot lysis by 93.33% and 94.73% respectively. ConclusionIn conclusion, the synthesized NPs made with basil extract were satisfactorily characterized utilizing a range of analytical techniques. ObE-MnO NPs also exhibit efficient catalytic and thrombolytic activities, qualifying their high degree of safety for usage in the environmental, pharmacological and medicinal domains.

Silicon quantum dots based fluorescent probes for detecting methyl parathion pesticide residues in potato, tap water and Yellow River

In this paper, a novel ratiometric fluorescent probe based on silicon quantum dots (SiQDs) has been developed for the sensitive detection of methyl parathion pesticide residues. The silicon quantum dots were prepared by a simple hydrothermal reaction process using 3-Aminopropyltriethoxysilane (APTES) as silicon resource and were characterized by the analysis of transmission electron microscopy, FTIR spectroscopy, and X-ray photoelectron spectroscopy. The silicon quantum dots displayed characteristic blue fluorescence emission at 440 nm. Tyrosinase can catalyze the oxidation of tyramine to form dopamine. Then, dopamine can interact with silicon quantum dots and effectively change the position of its fluorescence emission for redshifting to 540 nm. In the presence of organic phosphorus pesticides (OPPs), the activity of tyrosinase was inhibited, resulting in the inability to generate dopamine and the fluorescence emission at 440 nm remaining unchanged. As a model of organic phosphorus pesticides, methyl parathion (MP) was determined using this method, and the fluorescence intensity response values showed a good linear relationship with methyl parathion concentration in the range of 50–90 nM, with a detection limit of 0.149 nM. Due to its good performance of relative low detection limit, good selectivity and high reproducibility, this sensing system has been successfully applied to the detection of methyl parathion in environmental water samples and potato samples, which showed good prospects for application in the detection of organic phosphorus pesticide residues in more real samples.

Valorizing Tea Waste: Green Synthesis of Iron Nanoparticles for Efficient Dye Removal from Water.

This study explores the valorization of tea leaf waste by extracting polyphenols through reflux extraction, subsequently using them to synthesize zero-valent iron nanoparticles (nZVI). The in situ generated nanoparticles, when combined with fixed amounts of hydrogen peroxide, facilitated the removal of various dyes (methylene blue, methyl orange, and orange G) via a hetero-catalytic Fenton process. The iron nanoparticles were thoroughly characterized by gas adsorption of N2 at 77 K, scanning electron microscopy (SEM), Transmission Electron Microscopy (TEM), FT-IR spectroscopy, X-ray diffraction (XRD), and thermal analysis, including thermogravimetric analysis (TG) and temperature-programmed reduction (TPR). A statistical design of experiments and response surface methodology were employed to analyze the influence of polyphenol, Fe(III), and H2O2 concentrations on dye removal efficiency. The results demonstrated that optimizing the operational conditions could achieve 100% dye removal efficiency. This study highlights the potential of nZVI synthesized through eco-friendly methods as a promising solution for water decontamination involving diverse model dyes, thus contributing to sustainable waste management and environmental protection.

MFe2O4 (M: Cu, Ni)/SnS2magnetic Core-Shell Heterostructure for Photocatalytic H2 Generation and Environmental Remediation

Overgrowing demand for sustainable energy sources and environmental remediation has driven extensive research in the field of photocatalysis. This study presents a hydrothermal synthesis of a novel MFe2O4 (M: Cu, Ni)/SnS2 magnetic core-shell heterostructure. The engineered heterostructure combines the unique properties of MFe2O4 (M: Cu, Ni) magnetic crystal as a core with SnS2 nanosheets as a shell, aiming to exploit type-2 heterojunction properties to improve effects for improved photocatalytic performance. The structural chemistry, phase formation, and crystal orientation of the prepared material are investigated using various analytical techniques, including X-ray diffraction (XRD), transmission electron microscopy (TEM), Raman, and FTIR Spectroscopy. FE-SEM analysis reveals a well-defined core-shell morphology with intimate interfaces between MFe2O4 (M: Cu, Ni) crystals and SnS2 nanosheets. Photocatalytic efficiency is assessed through the industrial dye degradation process. The influence of the heterostructure's structural features on the photocatalytic activity is explored through density function theory, emphasizing the role of the core-shell interface and the magnetic properties of MFe2O4 (M: Cu, Ni) cores. The chemistry between the magnetic core and the shell in the heterostructure is demonstrated to be crucial for optimizing charge carrier dynamics and promoting surface reactions. Photocatalytic H2 generation under artificial simulated sunlight irradiation in the presence of MFe2O4 (M: Cu, Ni)/SnS2 core-shell heterostructure is demonstrated. This study not only presents a novel MFe2O4 (M: Cu, Ni)/SnS2 heterostructure for photocatalytic H2 generation but also provides valuable insights into the intricate relationship between structural chemistry and photocatalytic efficiency. The engineered heterostructure shows promising potential for applications in sustainable energy production and environmental remediation, contributing to the ongoing efforts towards a cleaner and more sustainable future.

Bioadsorption of crude petroleum oil from seawater using the marine alga Hormophysa triquetra mediated silver nanoparticles

The biosynthesis of silver nanoparticles, both economically and environmentally advantageous, uses algae extracts. In the current work, we extracted the marine brown alga Hormophysa triquetra (C. Agardh) kützing and used it to make silver nanoparticles (HAgNPs) which are characterized via UV–visible spectrophotometers, Transmission Electron Microscopy (TEM), Zeta potential, and FTIR then used them in the bio adsorption of crude petroleum oil from seawater, comparing them with H. triquetra aqueous extract. UV scan of the phycosynthesized silver nanoparticles achieved the highest absorption at 369 nm. TEM showed that the synthesized HAgNPs occur with smooth, spherical, and semispherical forms with sizes ranging from 12.04 to 20.67 nm, zeta potential illustrated that HAgNPs were charged with −22.1, The H. triquetra aqueous extract's FTIR examination identified several active groups like – OH, –C=C–, NO, –CH, CCl, –C ≡ C–H: CH which are responsible for the bioadsorption of crude petroleum oil. When extracting crude petroleum oil from seawater, HAgNPs worked better than its aqueous extract. The maximum removal % for light n-alkanes (Ln-alk), heavy n-alkanes (Hn-alk), and PAHs were 70.4 %, 71.63 %, and 75.38 % respectively for H. triquetra aqueous extract with adsorption capacity 889, 511, 273 μg/g at salinity 36 % and pH 5, while in case of HAgNPs the results were 75.81 %, 77.15 %, and 80.56 %, respectively with adsorption capacity 957, 550, 292 μg/g at the same salinity and pH.

Efficient eco-friendly synthesis of carbon nanotubes over graphite nanosheets from yellow corn: a one-step green approach

The present work reports the synthesis of multi-wall carbon nanotubes (MWCNTs) over graphite nanosheets by an easy and simple approach without using any external catalyst. Simply, yellow corn seeds were thermally annealed in a hydrogen atmosphere at 1050 °C for 3 h without any pretreatments. Notably, the growth of MWCNTs was observed to preferentially occur on the outer surface of the corn shell. This uncomplicated approach not only emphasizes the feasibility of synthesizing carbon nanomaterials using agricultural by-products but also underscores the potential applications of these synthesized materials in various fields. Samples were examined through a comprehensive analysis employing various techniques, including scanning electron microscopy (SEM), Raman spectroscopy, FTIR, X-ray diffraction (XRD), and high-resolution transmission electron microscopy (HRTEM). The findings unveiled the formation of rolled graphene accompanied by the presence of vertical multi-wall carbon nanotubes (MWCNTs) positioned over stacked graphene sheets. This detailed characterization provides insights into the structural features and arrangement of the synthesized materials, paving the way for a deeper understanding of their potential applications. The pyrolysis temperature is a crucial factor in the morphological characteristics of the synthesized carbon nanostructures. While graphene cage-like structures were obtained at 800 °C, small carbon nanotubes were grafted to larger ones and formed three-dimensional hierarchical morphologies when the annealing temperature increased to 900 °C. The growth mechanism of the carbon nanotubes was explained based on the jet self-extrusion of the generated gases through the inherent pores of the corn seeds. The current technique employed in manufacturing MWCNTs shows significant promise as a green synthesis method for producing catalyst-free MWCNTs suitable for industrial applications including sensors and energy storage materials.

Silver nanoparticles biosynthesis from Ficus pomifera, Strobilanthes flaccidifoliuss, and Crassocephalum crepidioides plant extracts

This research can potentially impact the silver nanoparticle synthesis field significantly. The study describes the synthesis and tentative mechanism involved in silver nanoparticles with bioactives compounds 1, 2, 3, and 4 (cyclopentane derivative, polyol, Indigo, and polymer), characterized isolates from Ficus pomifera Wall, Strobilanthes flaccidifolius Nees and Crassocephalum crepidioides (Benth.) Moore. The findings of this research, particularly the characterization of silver nanoparticles formed with three compounds using energy-dispersive X-ray analysis, X-ray diffraction, transmission electron microscopy, FTIR, and UV–Vis spectroscopy, could pave the way for future advancements in the field. The average size was reported to be 50 nm, 16 nm, and 61 nm, respectively, for compounds 1, 3, and 4. Tentative mechanisms were developed for the formation of the nanoparticles by each compound 1, 3, and 4. Compound 1 reduced silver after dehydration, evident from a new ester carbonyl peak at 1743 nm from the IR spectrum. Compound 2 failed to reduce silver ions.

PEGylated Micro/Nanoparticles Based on Biodegradable Poly(Ester Amides): Preparation and Study of the Core-Shell Structure by Synchrotron Radiation-Based FTIR Microspectroscopy and Electron Microscopy.

Surface modification of drug-loaded particles with polyethylene glycol (PEG) chains is a powerful tool that promotes better transport of therapeutic agents, provides stability, and avoids their detection by the immune system. In this study, we used a new approach to synthesize a biodegradable poly(ester amide) (PEA) and PEGylating surfactant. These were employed to fabricate micro/nanoparticles with a core-shell structure. Nanoparticle (NP)-protein interactions and self-assembling were subsequently studied by synchrotron radiation-based FTIR microspectroscopy (SR-FTIRM) and transmission electron microscopy (TEM) techniques. The core-shell structure was identified using IR absorption bands of characteristic chemical groups. Specifically, the stretching absorption band of the secondary amino group (3300 cm-1) allowed us to identify the poly(ester amide) core, while the band at 1105 cm-1 (C-O-C vibration) was useful to demonstrate the shell structure based on PEG chains. By integration of absorption bands, a 2D intensity map of the particle was built to show a core-shell structure, which was further supported by TEM images.

Microstructure evolution of carbon films, grown by physical vapor deposition, when substrate temperature is increased

We study how the increases of substrate temperature influence the structural properties of carbon films deposited by physical vapor deposition (PVD) techniques. We installed and adapted a heating system inside the deposition chamber, which can reach temperatures as high as 700 °C. Here we develop an experimental setup that allows us to obtain large films of the desired material on any substrate, with deposition times of the order of a minute. The characterization is based mainly on the analysis of the Raman spectra, where the evolution of the G and D peaks corresponding to the material in its amorphous phase is observed. With the increase of substrate temperature, the sp2 zones grow. A displacement to the right of the G peak and an increase in the ID/IG ratio is seen. At 700 °C a 2D zone at a frequency greater than 2000 cm−1 appears. Four Lorentzian-shaped bands are necessary to account for the peaks at this zone, whose centers correspond to different combinations of first-order ones. This shows that we are transitioning from an amorphous to a carbon phase with more ordered or graphitic zones and that we are near the crystallization point. This opens the path to produce structures similar to graphene using this method of deposition. The Tauc gap energy ratio decreases as temperature increases indicating that there is a graphitization of the sample. Transmission FTIR study is carried out at some of the intermediate temperatures, determining the type of bond at low frequencies. These bonds are consistent with the ones of the hydrogenated amorphous carbon (a-C:H) structure.

Isotherm and kinetics study of Ni(II) ions adsorption from wastewater using carbon nanotubes decorated with ZnO nanoparticles

A zinc oxide/carbon nanotube hybrid (ZnO/MWCNT) was synthesized utilizing a straightforward precipitation technique based on the physical approach of pulsed laser ablation. Various techniques were employed to investigate the composition, morphology and optical of the synthesized nanocomposite. The techniques employed were X-ray diffraction, Raman spectroscopy, transmission electron microscopy, FT-IR and thermal gravimetric analysis (TGA) to confirm the compete decoration to be applicable for removal Ni(II) ions in an aqueous solution. ZnO have a hexagonal wurtzite structure connected to hexagonal graphite of MWCNT from XRD. The interaction between ZnO and CNTs resulted in a reduction in the domain of sp2 bonds, according to Raman. From TGA, we can attribute the reduction in thermal analysis to the oxidation of surface hydroxyl functional groups (-OH), the evaporation of surface solvent and the presence of ZnO’s inorganic oxide structure compared to pristine MWCNT. These findings confirmed that adding ZnO NPs to MWCNT caused more structural flaws and surface disorder, even though the structure of the CNTs stayed the same. We then investigated numerous factors affecting the extraction of Ni(II) ions, including pH, duration of extraction, amount of nanosorbent used and circumstances. We observed the optimal conditions at room temperature, pH of 5.9, nanoadsorbent dosage of 0.2 g/L and contact time of 1 h. Atomic absorption spectrometry easily monitored the kinetics of this reaction. The Langmuir, Freundlich and Redlich–Peterson isotherm models explain the mechanism underlying the adsorption equilibrium isotherm. Furthermore, regeneration experiments revealed that the adsorbent still maintained a high adsorption capacity after six cycles, demonstrating remarkable potential for use in environmentally friendly applications.

First-principle molecular dynamics and in situ DRIFTS study the stability of the intermediates of CO2 hydrogenation to methanol on ZnZrOx solid solution catalyst

Among the many catalysts used for CO2 hydrogenation to methanol, ZnZrOx solid solution is a highly efficient catalyst. Although the reaction mechanism has been widely explored at 0 K using DFT, critical aspects such as the atomic structure of the solid solution and the stability of reaction intermediates during CO2 reduction at experimental temperatures remain unclear. This study employs first-principle molecular dynamics (MD) simulations, FTIR and DRIFTS characterization to address these important questions. During the MD simulation, oxygen vacancies are formed in the system and same as the doped Zn atoms. The formation of oxygen vacancies was further confirmed by the Transmission FTIR and in situ DRIFTS. Due to the creating of oxygen vacancies, the coordination of Zn and Zr in the bulk is reduced to five and seven, respectively. And on the surface, their coordination is reduced to three、four and six、seven, respectively. Subsequently, the hydrogenation of CO2 to methanol using the formate and CO* pathways was studied. In the formate pathway, all intermediates remained stable at 593 K. However, in the CO* pathway, we observe instability of key intermediates which also confirmed by transmission FTIR and in situ DRIFTS characterization.

The potential biological activities of Aspergillus luchuensis-aided green synthesis of silver nanoparticles.

Biosynthetic metals have attracted global attention because of their safety, affordability, and environmental friendliness. As a consequence, the cell-free filtrate (CFF) of Dill leaf-derived endophytic fungus Aspergillus luchuensis was employed for the extracellularly synthesis silver nanoparticles (AgNPs). A reddish-brown color shift confirmed that AgNPs were successfully produced. The obtained AgNPs were characterized by UV-Vis (ultraviolet-visible spectroscopy), Transmission electron microscopy (TEM), FTIR, EDX, and zeta potential. Results demonstrated the creation of crystalline AgNPs with a spherical shape at 427.81 nm in the UV-Vis spectrum, and size ranged from 16 to 18 nm as observed by TEM. Additionally, the biogenic AgNPs had a promising antibacterial activity versus multidrug-resistant bacteria, notably, S. aureus, E. coli, and S. typhi. The highest growth reduction was recorded in the case of E. coli. Furthermore, the biosynthesized AgNPs demonstrated potent antifungal potential versus a variety of harmful fungi. The maximum growth inhibition was evaluated from A. brasinsilles, followed by C. albicans as compared to cell-free extract and AgNO3. In addition, data revealed that AgNPs possess powerful antioxidant activity, and their ability to scavenge radicals increased from 33.0 to 85.1% with an increment in their concentration from 3.9 to 1,000 μg/mL. Furthermore, data showed that AgNPs displayed high catalytic activity of safranin under light irradiation. The maximum decolorization percentage (100%) was observed after 6 h. Besides, the biosynthesized AgNPs showed high insecticidal potential against 3rd larval instar of Culex pipiens. Taken together, data suggested that endophytic fungus, A. luchuensis, is an attractive candidate as an environmentally sustainable and friendly fungal nanofactory.

Study of the anti-cancer activity of a mesoporous silica nanoparticle surface coated with polydopamine loaded with umbelliprenin

A mesoporous silica nanoparticle (MSN) coated with polydopamine (PDA) and loaded with umbelliprenin (UMB) was prepared and evaluated for its anti-cancer properties in this study. Then UMB-MSN-PDA was characterized by dynamic light scattering (DLS), Field emission scanning electron microscopy (FESEM), Transmission electron microscopy (TEM) and FTIR methods. UV-visible spectrometry was employed to study the percentage of encapsulation efficiency (EE%). UMB-MSN-PDA mediated cell cytotoxicity and their ability to induce programmed cell death were evaluated by MTT, real-time qPCR, flow cytometry, and AO/PI double staining methods. The size of UMB-MSN-PDA was 196.7 with a size distribution of 0.21 and a surface charge of −41.07 mV. The EE% was 91.92%. FESEM and TEM showed the spherical morphology of the UMB-MSN-PDA. FTIR also indicated the successful interaction of the UMB and MSN and PDA coating. The release study showed an initial 20% release during the first 24 h of the study and less than 40% during 168 h. The lower cytotoxicity of the UMB-MSN-PDA against HFF normal cells compared to MCF-7 carcinoma cells suggested the safety of formulation on normal cells and tissues. The induction of apoptosis in MCF-7 cells was indicated by the upregulation of P53, caspase 8, and caspase 9 genes, enhanced Sub-G1 phase cells, and the AO/PI fluorescent staining. As a result of these studies, it may be feasible to conduct preclinical studies shortly to evaluate the formulation for its potential use in cancer treatment.

Cadmium oxide nanoparticles from new organometallic Cd(II)-Schiff base complex and in vitro biological potentials: dual S. aureus and E. coli DNA gyrase inhibition by the precursors via in silico binding modes’ study

At the nanoscale level, several biological processes take place, owing to the potential that engineered nanomaterials might interrelate with bio-molecules and cellular procedures. This study aimed to synthesize cadmium oxide nanoparticles via a one-step calcination process of tetradentate Schiff base-Cd(II) complex at different temperature ranges. The as-synthesized compounds were carried out via a viz UV–visible, elemental analysis, 1H NMR, molar conductivity, transmission electron microscopy (TEM), FT-IR spectroscopy, and X-ray diffraction (PXRD). The band gap energy and average particle sizes of the CdO particles are respectively (2.69 eV, 3.54 eV), 26.88 nm for CdO@250, and (3.20 eV, 3.57 eV), 25.67 nm for CdO@300, while CdO@350 exhibited the 3.78 eV and 28.42 nm values. The antioxidant accomplishments of the test samples through the scavenging activity of DPPH radicals showed CdO@300 to possess (IC50 = 5.18 ± 0.56 µg/mL). Similarly, the as-synthesized CdO nanoparticles exhibited higher antibacterial activities against S. aureus and E. coli as compared to the corresponding Cd-HMB and ligand (HMB), while ciprofloxacin acted as a standard antibiotic. Furthermore, HMB and its complex Cd-HMB were docked against the DNA gyrase enzymes of S. aureus (PDB IDs: 5CDQ) and E. coli (PDB IDs: 6F86) as receptors. The binding sites docking results showed that the binding energies of HMB and Cd-HMB to 5CDQ ranged from − 3.44 to − 4.99 kcal/mol and from − 6.45 to − 6.64 kcal/mol, while the binding energies related to the target 6F86 are in the ranges of (− 3.64, − 4.76) kcal/mol and (− 6.08, − 6.09) kcal/mol respectively. Therefore, the significant antioxidant and antibacterial activities of the ligand (HMB), Cd-HMB, and CdO NPs review the broad application prospects of these compounds as therapeutic agents for wide-ranging biomedical applications.

Cationic UV-curing of bio-based epoxidized castor oil vitrimers with electrically conductive properties

The growing appeal of carbon nanotube composites in the contemporary market derives from their exceptional thermal and chemical stability, coupled with electrical conductivity. In this study, we combined these salient features with a biobased epoxy matrix having vitrimeric properties, hence being reprocessable and resheapable, to obtain a biobased conductive coating. Epoxidised castor oil (ECO) was chosen as a monomer precursor for the straightforward synthesis. The synthesis relied on a cationic UV-curing process, embedding the conductive carbon nanotubes in the matrix. Photo DSC and transmission FTIR analysis were conducted to determine the final conversion of the epoxy rings in the cationic photocuring process. Thermo-mechanical properties were evaluated by tensile tests, and DMTA. Thermal stability was assessed by TGA. Dielectric spectroscopy confirmed increased electrical conductivity in the presence of increasing CNT content, reaching a percolation threshold at 0.5 phr of CNTs. Vitrimeric properties were proved by stress relaxation experiments, and the UV-cured composite underwent a thermo-activated transesterification reaction starting from 70 °C, catalysed by dibutyl phosphate. Overall, the ECO-CNT composite showed high thermal resistance (up to 400 °C) electrical conductivity with 0.5 phr CNT concentration, and vitrimeric properties. The study can be, therefore, considered a promising starting point to obtain sustainable biobased and electrically conductive vitrimers.