Ultrasonic Irradiation Research Articles

In vivo evaluation of Sono-chemo therapy via hollow gold nanoshells conjugated to mitoxantrone on breast cancer.

Conventional methods of cancer treatment include surgery, chemotherapy, radiation therapy, and immunotherapy. Chemotherapy, as one of the main methods of cancer treatment, due to the lack of targeted distribution of the drug in tumor tissues, is not able to destroy cancer cells and also affects healthy tissues and causes serious side effects in patients. Sonodynamic therapy (SDT) is a promising strategy for non-invasive treatment of deep solid cancer tumors. In this study, for the first time, the sono-sensitive activity of mitoxantrone was investigated and then mitoxantrone (MTX) was conjugated to hollow gold nanostructure (HGN) to improve the efficiency of in vivo SDT. Firstly, after the synthesis of hollow gold nanoshells and the PEGylation process, conjugation of MTX was performed. Then, after evaluating the toxicity of the treatment groups in vitro, in order to perform an in vivo study, 56 male Balb/c mice that had been tumorized by subcutaneous injection of 4T1 cells were divided into eight groups of breast tumor model. Ultrasonic irradiation (US) conditions including intensity of 1.5 W/cm2 (with a frequency of 800 kHz, 5 min), MTX concentration of 2 μM, and HGN dose of 2.5 mg/kg (unit of animal weight) were used. The results show that administration of PEG-HGN-MTX caused a slight reduction in tumor size and growth compared with free MTX. Ultrasound also improved the therapeutic effect of the gold nanoshell in treated groups, and the HGN-PEG-MTX-US treated groups were able to significantly reduce and control tumor size and growth. The findings also show that MTX and HGN can be used as sonosensitizers in SDT. Also, HGN-PEG-MTX can act as a sono-chemotherapy agent for the combination of sonodynamic therapy and chemotherapy for in vivo breast tumors.

Evaluation of the Microstructure and Mechanical Properties of Biopolymer-Based Cementitious Composites with Silver Nanoparticles

This study investigated the effects of using silver nanoparticles (Ag NPs) on the microstructure and mechanical properties of cementitious composites. Ag NPs were synthesized with an ultrasonic irradiation method using konjac gum–polyethylene glycol (KG/PEG) and locust gum–polyethylene glycol (LG/PEG) and characterized using scanning electron microscopy (SEM), energy dispersive X-ray (EDX), high-resolution transmission electron microscopy (TEM), and Fourier-transform infrared (FTIR) analyses. To identify the effect of the Ag NPs on the mechanical properties of mortar, four different cement mortar mixtures were prepared with varying percentages of Ag NPs (0%, 0.5%, 1%, 2%, 3%, 4%, and 5% by weight). Clear improvements were observed in the 7- and 28-day compressive and flexural strengths of nanocomposites with Ag NPs. A thorough microstructure investigation using SEM, EDS, XRD, and thermogravimetric analysis (TGA) was presented, and the relationship between microstructure and the mechanical properties of cementitious composites including Ag NPs was discussed.

Artificial nano-red blood cells nanoplatform with lysosomal escape capability for ultrasound imaging-guided on-demand pain management.

Postoperative pain management would benefit significantly from an anesthetic that could take effect in an on-demand manner. An ultrasound would be an appropriate tool for such nanoplatform because it is widely used in clinical settings for ultrasound-guided anesthesia. Herein, we report a nanoplatform for postoperative on-demand pain management that can effectively enhance their analgesic time while providing ultrasonic imaging. Levobupivacaine and perfluoropentane were put into dendritic mesoporous silica and covered with red blood cell membranes to make the pain relief last longer in living organisms. The generated nanoplatform with gas-producing capability is ultrasonic responsive and can finely escape from the lysosomal in cells under ultrasound irradiation, maximizing the anesthetic effect with minimal toxicity. Using an incision pain model in vivo, levobupivacaine's sustained and controlled release gives pain reduction for approximately 3 days straight. The duration of pain relief is over 20 times greater than with a single injection of free levobupivacaine. Effective pain management was reached in vivo, and the pain reduction was enhanced by repeated ultrasonic irradiation. There was no detectable systemic or tissue injury under either of the treatments. Thus, our results suggest that nanoplatform with lysosomal escape capability can provide a practical ultrasound imaging-guided on-demand pain management strategy. STATEMENT OF SIGNIFICANCE: On-demand pain management is essential to postoperative patients. However, the traditional on-demand pain management strategy is hampered by the limited tissue penetration depth of near-infrared stimuli and the lack of proper imaging guidance. The proposed research is significant because it provides a nanoplatform for deep penetrated ultrasound controlled pain management under clinical applicable ultrasound imaging guidance. Moreover, the nanoplatform with prolonged retention time and lysosomal escape capability can provide long-term pain alleviation. Therefore, our results suggest that nanoplatform with lysosomal escape capability can provide an effective strategy for ultrasound imaging-guided on-demand pain management.

Fluorescence and molecular weight dependence of disinfection by-products formation from extracellular organic matter after ultrasound irradiation

Algal blooms have a negative impact on the safety of drinking water. Ultrasonic radiation technology is an “environment-friendly” technology that is widely used in algae removal. However, this technology leads to the release of intracellular organic matter (IOM), which is an important precursor of disinfection by-products (DBPs). This study investigated the relationship between the release of IOM in Microcystis aeruginosa and the generation of DBPs after ultrasonic radiation as well as analyzed the generation mechanism of DBPs. Results showed that the content of extracellular organic matter (EOM) in M. aeruginosa increased in the order of 740 kHz >1120 kHz >20 kHz after 2 min of ultrasonic radiation. Organic matter with a molecular weight (MW) greater than 30 kDa increased the most, including protein-like, phycocyanin (PC) and chlorophyll a, followed by small-molecule organic matter less than 3 kDa, mainly humic-like substances and protein-like. DBPs with an organic MW range of less than 30 kDa were dominated by trichloroacetic acid (TCAA), while those with an MW greater than 30 kDa had the highest trichloromethane (TCM) content. Ultrasonic irradiation changed the organic structure of EOM, affected the amount and type of DBPs, and tended to generate TCM.

Modified Ultrasonic Irradiation reactor: Application on Produced Water Treatment

Modified Ultrasonic Irradiation reactor: Application on Produced Water Treatment

Facile synthesis of a novel recyclable dual Z-scheme WO3/NiFe2O4/BiOBr composite with broad-spectrum response and enhanced sonocatalytic performance for levofloxacin removal in aqueous solution

In recent decades, the overuse and misuse of antibiotics have caused serious harm to aquatic ecosystems. This work successfully designed a unique recyclable WO3/NiFe2O4/BiOBr (WNB) composite with dual Z-scheme heterojunction to degrade levofloxacin (LEV) in aqueous solution. The results indicated that the as-prepared WNB composite displayed the greatest sonocatalytic activity for LEV degradation. In particular, WNB showed the highest LEV (at 10 mg/L) removal efficiency (97.97 %) within 75 min under ultrasonic irradiation. The significantly enhanced catalytic activity of WNB was attributed to the unique dual Z-scheme structure, which makes it easier for the transfer and the spatial separation of photo-generated electron-hole (e−-h+) pairs, and dramatically increases the carrier lifespan. Furthermore, the ternary composite comprises three different semiconductors from narrow to broad bandgap, which are suitable for harvesting full-spectrum light. The recycle experiments demonstrated the catalyst's excellent sonocatalytic stability and easy recovery, which is attributed to its magnetic property. Furthermore, based on the intermediates identified during the degradation process, a potential mechanism and pathway for LEV degradation were presented. This work provides a unique perspective on designing efficient sonocatalysts for environmental remediation.

Continuous one-pot synthesis of new spiro-fused indoles from biobased building blocks using carbamoylation and imidation reactions under ultrasonic irradiation

Continuous one-pot synthesis of new spiro-fused indoles from biobased building blocks using carbamoylation and imidation reactions under ultrasonic irradiation

Electrochemical behavior of NiWO4 modified by ultrasonic and laser irradiation

In this work, NiWO4 was prepared by co-precipitation and modified by ultrasonic and laser irradiation. Its electrochemical properties were investigated by potentiodynamic, galvanostatic and impedance spectroscopy methods. The results show that NiWO4 ultrasonic-modified and exposed to laser irradiation for 420 s has the highest capacitance of 520 F/g at a discharge current of 1 mA. This capacitance value is 2.5 times higher than for NiWO4 ultrasonic-modified and 3.4 times higher than for NiWO4 obtained by co-deposition. The capacitance enhancement of NiWO4 modified by ultrasonic and laser irradiation is the result of stimulation of fast redox reactions, which is confirmed by impedance studies.

An Efficacious Synthesis of Xanthenones and Chromenopyrimidinediones Catalyzed by Copper Chromite Nanoparticles and Preliminary Assessment of Their Bioactivity

An ultrasonic irradiation-assisted green approach was developed for the facile preparation of xanthenones and chromenopyrimidinediones using copper chromite nanoparticles (CuCr2O4 NPs) as an efficient heterogeneous catalyst. The desired products were formed by a one-pot three-component reaction of aromatic aldehydes, 3,4-methylenedioxyphenol, and C-H activated acidic compounds including dimedone and 1,3-dimethylbarbituric acid. Various aromatic aldehydes extended the scope and generality of the presented route. Using water as green and nonvolatile solvent and ultrasonic irradiation as an innocuous energy resource, high yields of products within a short reaction time increase the current protocol’s economic and environmental superiority. Compounds were evaluated for their antimicrobial inhibition against some selected Gram-positive and Gram-negative bacterial strains. The results showed that the growth of Gram-positive bacteria was highly inhibited by only compounds 5a, 5b, 6d, and 6e, while the rest of test compounds show moderate effects on microbial growth. All test compounds, aside compound 6d, did not display any remarkable growth inhibitory activity against the Gram-negative bacteria. Highlights The present study introduces a ground work for the application prospects of ultrasound-based novel, green, and sustainable method for the preparation of some xanthenone and chromenopyrimidinedione derivatives. Copper chromite nanoparticles have appeared as efficacious and reusable catalyst for ultrasonic irradiation treatment in the synthesis of the above-mentioned compounds. The present study establishes that several synthesized compounds show good antimicrobial effects against the standard Gram-positive bacteria Staphylococcus aureus and Streptococcus pyogenes and Gram-negative bacterium Serratia marescens. Due to the best of our knowledge for these previously known compounds, this study is the first report of their promising antimicrobial activity.

Gold − Titanium dioxide heterojunction for enhanced sonodynamic mediated biofilm eradication and peri-implant infection treatment

Peri-implant infection caused by bacterial biofilm is the main reason for dental implant repair failure. The success of controlling infection depends mainly on eliminating bacterial biofilm. However, traditional medicine therapy is not practical due to the growth of bacterial resistance. Recently, antibacterial sonodynamic therapy (aSDT) activated by ultrasound has been recognized as an emerging strategy for treating biofilm infections. In this study, an activatable nanoplatform (Au-TNT) fabricated on the implant surface is proposed for aSDT. Au-TNT could rapidly produce O2 under ultrasonic irradiation, which could relieve the hypoxic microenvironment of biofilm and improve the anti-biofilm efficiency of aSDT. Furthermore, it could generate singlet oxygen (1O2) and hydroxyl radicals (OH), resulting in a powerfully high antibacterial capacity for both single and multi-species pathogenic biofilms as assessed by bacterial survival rate, cell membrane rupture, biofilm metabolism and thickness. Meanwhile, Au-TNT exhibited excellent antibacterial ability in vivo with a 3 logs CFU decreased compared to the control group. Interestingly, it also showed that Au-TNT downregulated inflammatory factor levels and promoted bone repair. Thus, this study provides a sonodynamic-catalytic nanoplatform for efficient biofilm eradication and peri-implant infection treatment.

Ultrasound assisted synthesis of Fe‐TiO2 and Ce‐TiO2 catalysts and subsequent application for photocatalytic, sonocatalytic, and sonophotocatalytic decolorization of basic Victoria blue dye

AbstractSynthesis of Fe‐TiO2 and Ce‐TiO2 catalysts using conventional, and ultrasound assisted (US) homogeneous coprecipitation method has been investigated. Effects of ultrasonic irradiation time and ultrasonic power on catalyst synthesis were studied and it was elucidated that best conditions were 140 W and 60 min, respectively. Characterization using FE‐SEM revealed spherical particles with the size range from 36.4 to 49.4 nm whereas XRD analysis affirmed a mixture of anatase, rutile, and brookite TiO2 phase with crystallite size ranging from 4.18 to 12.99 nm. BET analysis revealed highest specific surface area (211.59 m2/g) for the sonochemically synthesized Ce‐TiO2. The process intensification benefits demonstrated in catalyst synthesis were better crystallinity, lower particle size, and higher surface area. The application of catalyst efficacy was tested for photocatalytic, sonocatalytic, and sonophotocatalytic oxidation where maximum decolorization as 71.97% was obtained for sonochemically synthesized Ce‐TiO2 applied in the sonophotocatalytic approach. Studies related to regeneration, stability, and leaching of Ce and Ti ion from the sonochemically synthesized Ce‐TiO2 catalyst were also performed. It was observed that the catalyst can be regenerated easily and there were no structural changes in the catalyst after regeneration with negligible leaching of the ions from the catalyst into the solution. Overall, an improved process for catalyst synthesis with intensified decolorization application was demonstrated based on the use of ultrasound.

A fundamental study on the degradation of paracetamol under single- and dual-frequency ultrasound

The degradation of paracetamol, a widely found emerging pharmaceutical contaminant, was investigated under a wide range of single-frequency and dual-frequency ultrasonic irradiations. For single-frequency ultrasonic irradiation, plate transducers of 22, 98, 200, 300, 400, 500, 760, 850, 1000, and 2000 kHz were employed and for dual-frequency ultrasonic irradiation, the plate transducers were coupled with a 20 kHz ultrasonic horn in opposing configuration. The sonochemical activity was quantified using two dosimetry methods to measure the yield of HO• and H2O2 separately, as well as sonochemiluminescence measurement. Moreover, the severity of the bubble collapses as well as the spatial and size distribution of the cavitation bubbles were evaluated via sonoluminescence measurement. The paracetamol degradation rate was maximised at 850 kHz, in both single and dual-frequency ultrasonic irradiation. A synergistic index higher than 1 was observed for all degrading frequencies (200 – 1000 kHz) under dual-frequency ultrasound irradiation, showing the capability of dual-frequency system for enhancing pollutant degradation. A comparison of the results of degradation, dosimetry, and sonoluminescence intensity measurement revealed the stronger dependency of the degradation on the yield of HO• for both single and dual-frequency systems, which confirms degradation by HO• as the main removal mechanism. However, an enhanced degradation for frequencies higher than 500 kHz was observed despite a lower HO• yield, which could be attributed to the improved mass transfer of hydrophilic compounds at higher frequencies. The sonoluminescence intensity measurements showed that applying dual-frequency ultrasonic irradiation for 200 and 400 kHz made the bubbles larger and less uniform in size, with a portion of which not contributing to the yield of reactive oxidant species, whereas for the rest of the frequencies, dual-frequency ultrasound irradiation made the cavitation bubbles smaller and more uniform, resulting in a linear correlation between the overall sonoluminescence intensity and the yield of reactive oxidant species.

Degradation of 1-alkyl-3-methylimidazolium tetrafluoroborate in an ultrasonic zero-valent zinc and activated carbon micro-electrolysis system

Increased attention has been given to the removal of ionic liquids (ILs) from natural water environments. In this work, 5 kinds of 1-alkyl-3-methylimidazoliumtetrafluoroborate ([Cnmim][BF4] (n = 2, 4, 6, 8, 10)) ILs were degraded in an ultrasonic zero-valent zinc (ZVZ) and activated carbon (AC) micro-electrolysis system. Optimization of degradation conditions and the degradation levels were studied by high performance liquid chromatography, the surface morphology of the ZVZ and AC changed before and after the reaction were observed by scanning electron microscope. The degradation intermediates were detected by gas chromatography- mass spectrometry and ion chromatography, and inferred the degradation pathway. The degradation effect of [C4mim][BF4] was best with ultrasonic assistance, pH 3 and an AC/ZVZ ratio of 1:1. The degradation of [Cnmim][BF4] in aqueous solution exceeded 91.7% in 120 min, and the mineralization level exceeded 88.9%. The surface of smooth and dense ZVZ particles became loose flocculent and the porous surface of AC became larger and rougher after reaction. The degradation pathway suggested that the imidazolium ring was sulfurized or oxidized, and then the ring was opened to form N-alkyl formamide and N-methyl formamide. ZVZ/AC micro-electrolysis combined with ultrasonic irradiation is an effective method to remove ILs, which provides new insight into IL degradation.

The Influence of Ultrasound on the Growth of Nannochloris sp. in Modified Growth Medium.

The influence of ultrasound irradiation on the algal biomass productivity as well as its oil content and fatty acids profile, grown in a modified Zarrouk medium, i.e., deproteinized whey waste solution, was investigated. The algal samples (Nannochloris sp. 424-1 microalgae) were grown for 7 days in a thermostated incubator at 28 °C, shaken under continuous light. During this period, the algal biomass was subjected to induced stress by ultrasonic irradiation at different powers and sonication time. The obtained results demonstrate that ultrasound stressing of algae biomass has a positive effect on both the quantity of biomass and the oil obtained, also causing a shift in fatty acid composition by increasing the proportion of C16 and C18 polyunsaturated fatty acids. A low dosage level of exposure to the ultrasound led to algal biomass increase as well as lipid accumulation. For both types of irradiation modes which were investigated, daily and only initial irradiation, the beneficial effect of the ultrasound decreases as the exposure time increases and the excessive sonication becomes detrimental to microalgae growth.

Extracting myricetin and dihydromyricetin simultaneously from Hovenia acerba seed by Ultrasound-Assisted extraction on a lab and small Pilot-Scale

The flavonoids myricetin and dihydromyricetin are significant components of Hovenia acerba seed. In this work, myricetin and dihydromyricetin were extracted from Hovenia acerba seed using an ultrasound-assisted technique, and the extraction parameters were adjusted using the response surface design approach. HPLC was used to assess the yield of myricetin and dihydromyricetin. According to the data, myricetin and dihydromyricetin yields were 0.53mg/g and 4.06mg/g at a 60% ethanol solution concentration, 180W of ultrasonic irradiation power, a 20mL/g ratio of liquid to solid, and a 40°C optimal extraction temperature. The aforementioned findings are virtually in agreement with the experimental findings suggested by the model. The study mentioned above thus offers a means of separating and developing useful components of natural goods.

A sonochemical synthesis of SrTiO3 supported N-doped graphene oxide as a highly efficient electrocatalyst for electrochemical reduction of a chemotherapeutic drug.

A sonochemical based green synthesis method playa powerful role in nanomaterials and composite development. In this work, we developed a perovskite type of strontium titanate via sonochemical process. SrTiO3 particles were incorporated with nitrogen doped graphene oxide through simple ultrasonic irradiation method. The SrTiO3/NGO was characterized by various analytical methods. The nanocomposite of SrTiO3/NGO was modified with laser-induced graphene electrode (LIGE). The SrTiO3/NGO/LIGE was applied for electrochemical sensor towards chemotherapeutic drug detection (nilutamide). Cyclic voltammetry (CV) and differential pulse voltammetry (DPV) techniques have been used to examine the electrochemical performance of nilutamide (anti-cancer drug). DPV was found to be more sensitive and found to exhibit a sensitivity 8.627 µA µM-1 cm-2 for SrTiO3/NGO/LIGE with a wide linear range (0.02-892µM) and low Limit of detection (LOD: 1.16µM). SrTiO3/NGO/LIGE has been examined for the detection of nilutamide in blood serum and urine samples and obtained a good recovery in the range of 97.2-99.72%. The enhanced stability and selectivity and practical application results indicates the suitability of SrTiO3/NGO/LIGE towards the detection of nilutamide drug in pharmaceutical industries.

Ionic Liquid Modified SPION@Chitosan as a Novel and Reusable Superparamagnetic Catalyst for Green One-Pot Synthesis of Pyrido[2,3-d]pyrimidine-dione Derivatives in Water

In this paper, the chitosan-functionalized ionic liquid is modified with superparamagnetic iron oxide nanoparticles to form a novel and reusable catalyst (SPION@CS-IL), which was carried out using an ultrasonic promoted approach. Transmission electron microscopy (TEM), vibrating-sample magnetometer (VSM), energy-dispersive X-ray spectroscopy (EDX), Fourier transform infrared spectroscopy (FT-IR), X-ray powder diffraction (XRD), energy-dispersive X-ray spectroscopy (EDX), and thermogravimetric analysis (TGA) are some of the techniques that are used to fully characterize SPION@CS-IL. The created nanoparticles were discovered to be a reusable heterogeneous superparamagnetic catalyst for the environmentally friendly one-pot synthesis of pyrido[2,3-d]pyrimidine derivatives using a simple three-component reaction approach involving thiobarbituric acid, 4-hydroxy coumarin, and various aromatic aldehydes. The method is studied by performing the reaction under ultrasonic irradiation, while the approach is a “green” method, it uses water as the solvent. The isolated yields of the synthesized products are very advantageous. The catalyst has outstanding reusability and is easily removed from the products via filtration (5 runs). Short reaction times, low catalyst loadings, the nanocatalyst’s capacity to be recycled five times, and the absence of harmful chemical reagents are all significant benefits of this environmentally benign process.

Elucidation of Operating Parameters Influencing the Ultrasonic-Assisted Absorption of Bulk CO2 Using Unpromoted and Promoted Methyldiethanolamine

Various acid gas sweetening processes can be used to separate CO2 from natural gas. As one of the most matured and widely utilized gas sweetening processes, absorption has been continuously improved to meet the stringent separation requirement. Ultrasonic irradiation has recently been introduced as an alternative technique to intensify the absorption process. Nevertheless, further studies are still needed to mature this new technique, particularly using slow kinetic absorbents possessing high inherent CO2 absorption capacity. Moreover, performing experimental studies using blended solvents in the high-frequency ultrasonic-assisted absorption system has also introduced a new idea in this field. This experimental study presents the CO2 absorption into aqueous solutions of methyldiethanolamine (MDEA) and piperazine (PZ)-promoted MDEA in an ultrasonic-assisted batch reactor. The influences of various operating parameters on CO2 absorption performance were evaluated in both promoted and unpromoted conditions. The parameters of the experiments included ultrasonic power at a frequency of 1.7 MHz, absorbent concentration, temperature, and CO2 partial pressure. Based on the results, ultrasonic power was found to be the most critical factor influencing the CO2 absorption rate. Moreover, the potential of the high-frequency ultrasonic-assisted CO2 absorption reactor was further elucidated via comparison with the conventional stirring and silent conditions under identical operating conditions. The highest CO2 absorption rate was achieved at an ultrasonic power of 12.36 W, a temperature of 70 °C, a CO2 partial pressure of 10 bar, an absorbent concentration of 50 wt %, and a promoter concentration of 5 wt %. In addition, the CO2 absorption rate in the high-frequency ultrasonic-assisted reactor using the MDEA absorbent was 28 and 52 times higher compared to stirring and silent conditions, respectively. The CO2 absorption rate enhancement was approximately 17 and 54 times higher for the PZ-MDEA.

Biosynthesized Zinc Oxide Nanoparticles Using Ziziphus Jujube Plant Extract Assisted by Ultrasonic Irradiation and Their Biological Applications

The green biosynthesis of zinc oxide nanoparticles (GBS ZnO NPs) using Ziziphus jujuba leaves extract assisted by ultrasonic irradiation was reported in this research work. The green biosynthesized ZnO NPs were characterized using different techniques and the results revealed the synthesis of hexagonal wurtzite crystal of GBS ZnO nanoparticles; per the XRD measurement, with average practice size of 90 ± 10 nm; based on both SEM and TEM images, and with specific surface area of 14.23 m2/g; per the nitrogen gas adsorption/desorption isotherms. The antibacterial activity of the prepared GBS ZnO NPs was explored against S. aureus and E. coli bacteria using different evaluation methods; disc diffusion, column (filter), and aqueous solution, and the results showed the effective antibacterial activities against S. aureus and E. coli bacteria, as the inhibition zones were 15 mm and 11 mm for the E. coli and S. aureus, respectively. Moreover, the anticancer activity of the green biosynthesized ZnO NPs was evaluated on two different cancer cells; human colon cancer cell lines (HCT-116) and the human liver cancer (HepG2) cells, and the experiments showed that GBS ZnO NPs had an outstanding cytotoxic effect on both cancer cell lines, as well as dose-dependent behavior, as the viability of the cancer cells decreased by using GBS ZnO NPs at concentrations of 10 and 20 µg/mL. Cell lines (HCT-116) and the human liver cancer (HepG2) cells, and the experiments showed that GBS ZnO NPs had an outstanding cytotoxic effect on both cancer cell lines, as the GBS ZnO NPs enhanced the cytotoxicity mechanism by generating ROS as the nanoparticles interact with cells, lower its cellular defense mechanism, and accordingly cause apoptosis to the cell.

Photocatalytic degradation of remdesivir nucleotide pro-drug using [Cu(1-methylimidazole)4(SCN)2] nanocomplex synthesized by sonochemical process: Theoretical, hirshfeld surface analysis, degradation kinetic, and thermodynamic studies

The first ultrasonic synthesis of [Cu(L)4(SCN)2] (L = 1-methylimidazole) nanocomplex was carried out under ultrasonic irradiation, and its photocatalytic performance for the degradation of remdesivir (RS) under sunlight irradiation was comprehensively investigated for the first time in this study. The physicochemical properties of the synthesized photocatalyst were examined by Fourier-transform infrared (FT-IR), field emission scanning electron microscopy (FE-SEM), diffuse reflectance spectroscopy (DRS), and thermogravimetric analysis (TGA) techniques. The band gap of the synthesized [Cu(L)4(SCN)2] nanocomplex was determined to be 2.60 eV by the diffuse reflectance spectroscopy method using Kubelka-Munk formula. The photocatalytic performance of nanocomplex was examined for the removal of remdesivir under sunlight from water for which the results indicated that an amount of 0.5 gL−1 of the [Cu(L)4(SCN)2] nanocomplex was sufficient to remove more than 96% remdesivir from its 2 mg L−1 concentration within 20 min, at pH = 6. The kinetic data showed that the photodegradation onto the [Cu(L)4(SCN)2] nanocomplex has a high correlation (0.98) with the pseudo-second-order kinetic model. The decrease in chemical oxygen demand (COD) (from 70.5 mg L−1 to 36.4 mg L−1) under optimal conditions clearly confirmed the mineralization of the RS drug. The values of ΔS° (−0.131 kJ mol−1 K−1) and ΔH° (−49.750 kJ mol−1) were negative, indicating that the adsorption process was spontaneous and more favorable in lower temperatures. Moreover, the RS structure in the open shell state and the high HOMO and LUMO gaps based on the M06/6-31 + G (d) level of theory may be a confirmation of this fact. In addition, the Hirshfeld surface analysis (HSA) of the crystal packing of the prepared complex was discussed in detail to evaluate the interactions between the crystal packings. The results of this study confirm that the [Cu(L)4(SCN)2] nanocomplex can be successfully used for the photodegradation of pharmaceutical contaminants.