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Abstract In this research, the photocatalytic degradation of CIP from aqueous solutions using CQD decorated on N-Cu co-doped titania (NCuTCQD) was made during two synthesis steps by sol–gel and hydrothermal methods. The fabricated catalysts were analyzed using various techniques, including XRD, FT-IR, BET, FESEM, EDX, and DRS. The results showed that N and Cu atoms were doped on TiO2 and CQD was well deposited on NCuT. The investigation of effective operational parameters demonstrated that the complete removal of ciprofloxacin (CIP: 20 mg/L) could be achieved at pH 7.0, NCuTCQD4wt%: 0.8 g/L, and light intensity: 100 mW/cm2 over 60 min reaction time. The O2 •– and OH˙ radicals were identified as the primary reactive species during the decontamination process. The synthesized photocatalyst could be recycled after six consecutive cycles of CIP decomposition with an insignificant decrease in performance. Pharmaceutical wastewater was treated through the optimum degradation conditions which showed the photocatalytic degradation eliminated 89% of COD and 75% of TOC within 180 min. In the effluent toxicity evaluation, the EC50 values for treated and untreated pharmaceutical wastewater increased from 62.50% to 140%, indicating that the NCuTCQD4wt%/Vis system can effectively reduce the toxic effects of pharmaceutical wastewater on aquatic environments.

Abstract Metronidazole (MNZ) is an extensively used antibiotic against bacterial infections for humans and farm animals. Prevention of antibiotics discharge is essential to prevent adverse environmental and health impacts. A member of metal–organic frameworks, zeolite imidazole framework-67 with cobalt sulfate precursor (ZIF-67-SO4) and exceptional physio-chemical properties was prepared via room temperature precipitation to adsorb MNZ. The study framework was designed by Box–Behnken Design to evaluate the effect of pH, ZIF-67-SO4 dose, and contact time on adsorption efficiency. The polynomial model fitted the adsorption system indicated the optimal condition for 97% MNZ removal occurs at pH = 7, adsorbent dosage = 1 g/L, and mixing time = 60 min. The model also revealed that the removal increased with contact time and decreased at strong pH. Equilibrium and kinetic study also indicated the adsorption of MNZ followed the intra-particle diffusion model and the Langmuir isotherm model with a qmax = 63.03 mg/g. The insignificant loss in removal efficacy in use-reuse adsorption cycles reflected the practical viability of ZIF-67-SO4.

Abstract Photocatalytic degradation under ultra-low powered light is a viable advanced oxidation process technique against extensive emerging contaminants. As a new and remarkable class of nanoporous materials, metal-organic frameworks (MOFs), attract interest for the supreme adsorptive and photocatalytic functionalities. An outstanding MOF, MIL-101(Fe) chosen as a photocatalyst template for the synthesis of α-Fe2O3 by a simple thermal modification to improve the structural properties toward methylene blue (MB) eradication. Octahedron-like α-Fe2O3 photocatalyst (Modified MIL-101(Fe), M-MIL-101(Fe)) was superior in dispersion and separation properties in aqueous medium. Moreover, the adsorptive and catalytic performance was increased for modified form by ~ 7.3% and ~ 17.1% compared to pristine MIL-101(Fe), respectively. Synergistic improvement of MB removal achieved by simultaneous adsorption/degradation under 5-W LED irradiation. Parametric study indicated an 18.1% and 44.5% improvement in MB removal was observed by increasing pH from 4 to 10, and M-MIL-101(Fe) dose from 0.2 to 1 g L−1, respectively. MB removal followed the pseudo-second-order kinetics model and the process efficiency dropped by 38% as MB concentration increased from 5 to 20 mg L−1. Radical trapping tests revealed the significant role of $${\mathrm{OH}}^{.}$$ OH . and electron radicals as the major participants in dye degradation. A significant loss in the efficiency of M-MIL-101(Fe) was observed in the reusability tests that is good to study further. In conclusion, a simple thermal post-synthesis modification on MIL-101(Fe) improved its structural, catalytic, and adsorptive properties against MB.

Abstract α-Thalassemia is a common inherited blood disorder manifested mainly by the deletions of α-globin genes. In geographical areas with high carrier frequencies, screening of α-thalassemia carrier state is therefore of vital importance. This study presents a novel method for identifying female carriers of common α-thalassemia deletions using samples routinely taken for non-invasive prenatal tests for screening of fetal chromosomal aneuploidies. A total of 68,885 Vietnamese pregnant women were recruited and α-thalassemia statuses were determined by gap-PCR, revealing 5344 women (7.76%) carried deletions including αα/−−SEA (4.066%), αα/−α3.7 (2.934%), αα/−α4.2 (0.656%), and rare genotypes (0.102%). A two-stage model was built to predict these α-thalassemia deletions from targeted sequencing of the HBA gene cluster on maternal cfDNA. Our method achieved F1-scores of 97.14–99.55% for detecting the three common genotypes and 94.74% for detecting rare genotypes (−α3.7/−α4.2, αα/−−THAI, −α3.7/−−SEA, −α4.2/−−SEA). Additionally, the positive predictive values were 100.00% for αα/αα, 99.29% for αα/−−SEA, 94.87% for αα/−α3.7, and 96.51% for αα/−α4.2; and the negative predictive values were 97.63%, 99.99%, 99.99%, and 100.00%, respectively. As NIPT is increasingly adopted for pregnant women, utilizing cfDNA from NIPT to detect maternal carriers of common α-thalassemia deletions will be cost-effective and expand the benefits of NIPT.

Abstract Using density functional theory (DFT), we performed theoretical investigation on structural, energetic, electronic, and magnetic properties of pure armchair silicene nanoribbons with edges terminated with hydrogen atoms (ASiNRs:H), and the absorptions of silicon (Si) atom(s) on the top of ASiNRs:H. The calculated results show that Si atoms prefer to adsorb on the top site of ASiNRs:H and form the single- and/or di-adatom defects depending on the numbers. Si absorption defect(s) change electronic and magnetic properties of ASiNRs:H. Depending on the adsorption site the band gap of ASiNRs:H can be larger or smaller. The largest band gap of 1 Si atom adsorption is 0.64 eV at site 3, the adsorption of 2 Si atoms has the largest band gap of 0.44 eV at site 1-D, while the adsorption at sites5 and 1-E turn into metallic. The formation energies of Si adsorption show that adatom defects in ASiNRs:H are more preferable than pure ASiNRs:H with silicon atom(s). 1 Si adsorption prefers to be added on the top site of a Si atom and form a single-adatom defect, while Si di-adatom defect has lower formation energy than the single-adatom and the most energetically favorable adsorption is at site 1-F. Si adsorption atoms break spin-degeneracy of ASiNRs:H lead to di-adatom defect at site 1-G has the highest spin moment. Our results suggest new ways to engineer the band gap and magnetic properties silicene materials.

In this research, the photocatalytic degradation of CIP from aqueous solutions using CQD decorated on N-Cu co-doped titania (NCuTCQD) was made during two synthesis steps by sol–gel and hydrothermal methods. The fabricated catalysts were analyzed using various techniques, including XRD, FT-IR, BET, FESEM, EDX, and DRS. The results showed that N and Cu atoms were doped on TiO2 and CQD was well deposited on NCuT. The investigation of effective operational parameters demonstrated that the complete removal of ciprofloxacin (CIP: 20 mg/L) could be achieved at pH 7.0, NCuTCQD4wt%: 0.8 g/L, and light intensity: 100 mW/cm2 over 60 min reaction time. The O2•– and OH˙ radicals were identified as the primary reactive species during the decontamination process. The synthesized photocatalyst could be recycled after six consecutive cycles of CIP decomposition with an insignificant decrease in performance. Pharmaceutical wastewater was treated through the optimum degradation conditions which showed the photocatalytic degradation eliminated 89% of COD and 75% of TOC within 180 min. In the effluent toxicity evaluation, the EC50 values for treated and untreated pharmaceutical wastewater increased from 62.50% to 140%, indicating that the NCuTCQD4wt%/Vis system can effectively reduce the toxic effects of pharmaceutical wastewater on aquatic environments. [ABSTRACT FROM AUTHOR]