Additional Purification Research Articles

Gel-Based Sample Fractionation with SP3-Purification for Top-Down Proteomics.

Precise prefractionation of proteome samples is a potent method for realizing in-depth analysis in top-down proteomics. PEPPI-MS (Passively Eluting Proteins from Polyacrylamide gels as Intact species for MS), a gel-based sample fractionation method, enables high-resolution proteome fractionation based on molecular weight by highly efficient extraction of proteins from polyacrylamide gels after SDS-PAGE separation. Thereafter it is essential to effectively remove contaminants such as CBB and SDS from the PEPPI fraction prior to mass spectrometry. In this study, we developed a complete, robust, and simple sample preparation workflow named PEPPI-SP3 for top-down proteomics by combining PEPPI-MS with the magnetic bead-based protein purification approach used in SP3 (single-pot, solid-phase-enhanced sample preparation), now one of the standard sample preparation methods in bottom-up proteomics. In PEPPI-SP3, proteins extracted from the gel are collected on the surface of SP3 beads, washed with organic solvents, and recovered intact with 100 mM ammonium bicarbonate containing 0.05% (w/v) SDS. The recovered proteins are subjected to mass spectrometry after additional purification using an anion-exchange StageTip. Performance validation using human cell lysates showed a significant improvement in low-molecular-weight protein recovery with a lower coefficient of variation compared to conventional PEPPI workflows using organic solvent precipitation or ultrafiltration.

Aptamer-Proximity Ligation Coupled with Rolling Circle Amplification Strategy for an Ultrasensitive Analysis of Tumor-Derived Extracellular Vesicles PD-L1.

Tumor-derived extracellular vesicles (T-EVs) PD-L1 are an important biomarker for predicting immunotherapy response and can help us understand the mechanism of resistance to immunotherapy. However, this is due to the interference from a large proportion of nontumor-derived EVs. It is still challenging to accurately analyze T-EVs PD-L1 in complex human fluids. Herein, a simple and ultrasensitive method based on the dual-aptamer-proximity ligation assay (PLA)-guided rolling circle amplification (RCA) for the analysis of T-EVs PD-L1 was developed. First, dual aptamers with strong binding affinity were utilized for the recognition of EpCAM and PD-L1 on EVs, and then the aptamer-based PLA occurred. With the aid of the high signal amplification ability of RCA guided by the dual-aptamer-based PLA and efficient magnetic separation, the biosensor could realize highly sensitive quantification of EpCAM and PD-L1 dual-positive EVs with a low detection limit of 7.5 particles/μL. In addition, this method based on the aptamer-PLA-guided RCA was used to discriminate cancer patients from healthy donors with 100% accuracy without additional purification. Overall, this strategy might provide a practical tool for the analysis of multiple proteins on EVs, exhibiting great potential in early cancer diagnosis and treatment.

Optimizing Recycling Processes for Mixed LFP/NMC Lithium-Ion Batteries: A Comparative Study of Acid-Excess and Acid-Deficient Leaching

This study explores the optimization of hydrometallurgical processes for recycling lithium-ion batteries (LIBs) containing a mixture of lithium iron phosphate (LFP) and nickel–manganese–cobalt (NMC) cathodes. Two approaches were investigated: acid-excess leaching and acid-deficient leaching with residue recirculation. A design of experiments (DoE) framework was applied to assess the impact of key parameters, including sulfuric acid and hydrogen peroxide concentrations, as well as solid-to-liquid (S/L) ratios, on the dissolution yields of target metals (Ni, Mn, Co, and Li). Acid-excess leaching achieved nearly complete dissolution of target metals but required additional purification steps to remove impurities. Acid-deficient leaching with a 60% recirculation of leaching residue improved dissolution yields by up to 12.5%, reduced reagent consumption, and minimized operational complexity. The study also evaluated separation strategies for manganese and cobalt through solvent extraction. Results indicate that while acid-excess leaching offers higher yields, acid-deficient leaching with residue recirculation is more cost-effective and environmentally friendly. These findings provide valuable insights for developing sustainable LIB recycling technologies.

Colorimetric Determination of Ascorbic Acid Using Peroxidase Activity of Allium Sativum (Garlic) Extract

Background: Detection and determination of ascorbic acid (AA) or vitamin C as a potent antioxidant substrate in commercial samples have an emerging significance. In relation to the colorimetry of ascorbic acid, the use of organometallic networks as enzyme peroxidase mimics has been reported many times, which is not cost-effective for commercialization. Therefore, this research, for the first time, examined the peroxidase behavior using garlic extract without additional extraction and purification steps. Peroxidase behavior was examined to measure ascorbic acid. Methods: In this research work, firstly, allium sativum (AS) extract was prepared simply by crushing, stirring, and sonicating garlic bulbs in water. It exhibited peroxidase activity, which enabled the oxidation of 3, 30, 5, and 50-tetramethylbenzidine (TMB) in the presence of H2O2 to generate bluecolored oxidized TMB (ox-TMB) with a sharp absorption peak at 6526 nm. In continuation, the ox- TMB could be reduced by the addition of AA to the TMB+H2O2 system, leading to a decrease in absorbance and the fading of the blue color. Determination performance was accomplished after optimization of several factors, such as pH, time, TMB, and AS concentration. Results: The results showed that the decrease in absorbance (ΔA) after AA addition was in a good linear relationship with AA concentration in the range of 9.46-155.24 μM, with a low detection limit of 0.0223 μM. The feasibility of this approach was also assayed in commercial orange drinks and effervescent tablets of vitamin C with a 97.70 %-110.17 % recovery. Conclusion: Finally, a sensitive and simple colorimetric sensor for the detection of AA using AS extract as a biocatalyst was developed.

Comparison of methods of DNA extraction from <i>Hermetia illucens</i> larvae

The black soldier fly (Hermetia illucens) is a promising and promising source of animal feed due to its high protein and fat content. For this reason, in 2023, by decision of the Government of the Russian Federation, it was included in the list of agricultural products. Currently, the active use of molecular genetic analysis methods for agricultural purposes continues, including for the study of feed and feed additives. However, today there is too little data in the domestic literature on their use against the black soldier fly. Thus, there is almost no information about DNA extraction methods – the very first stage of any genetic analysis. Thus, the purpose of this study is to compare the effectiveness of existing DNA extraction methods and adapt them to work with Hermetia illucens larvae. In this study, several DNA extraction methods were tested, based on different lysing (SDS, guanidine thiocyanate, CTAB) and chelating (EDTA) agents, as well as lysis durations (1, 2, 3 hours), in comparison with a commercial kit. As a result, it was found that the highest DNA concentration (750 ng/μl) is achieved using the CTAB method, however, when using this protocol, additional purification is necessary. The combined action of SDS and high concentrations of EDTA results in a lower DNA yield (50ng/µl), but does not require additional purification. For the first time, a method based on guanidine thiocyanate was used, which turned out to be quite relevant for this object of study. All of the above methods resulted in comparable or higher DNA yield compared to the commercial GMO-SORB-B kit. Increasing the lysis time to 3 hours when using methods based on guanidine thiocyanate and CTAB leads to increased DNA concentration.

STANDARDISATION AND OPTIMIZATION OF MERCURY EXTRACTION FROM CINNABAR (HINGULA) USING THE NADA YANTRA METHOD IN AYURVEDIC PRACTICE

The extraction of mercury (Parada) from cinnabar (Hingula) is a critical process in Ayurvedic medicine, particu-larly for use in metallic and mineral formulations known as Rasayoga. Traditional methods for mercury extrac-tion, such as Urdhva Patana (upward sublimation), Adhah Patana (downward sublimation), and Tiryanka Pat-ana (transverse sublimation), face challenges in terms of efficiency and environmental concerns. This research addresses contemporary efficiency, safety, and environmental issues while creating a refined and standardised procedure for extracting mercury (Parada) from cinnabar (Hingula) utilising conventional Ayurvedic techniques. This study aims to refine mercury extraction by applying the Nada Yantra method, a specific approach detailed in classical Ayurvedic texts. A series of pharmaceutical trials developed a standard operating procedure (SOP) to optimise mercury yield from Hingula with and without purification (Shodhana). The process involves a series of sublimations following purification steps and a series of sublimations without purification, ensuring effective procurement of mercury for medicinal use. The study successfully standardises and compares mercury extraction from cinnabar with and without purification using the Nada Yantra method, yielding approximately 60% and 45 % purified mercury, respectively. This optimised process is efficient, environmentally considerate, and suitable for modern Ayurvedic practices, ensuring safe and high-quality mercury for medicinal use without additional pu-rification steps for Parada Shodhana. The project aims to create a repeatable standard operating procedure (SOP) for mercury extraction using the Nada Yantra technique, which has its roots in ancient writing but has been up-dated for modern applications. This method offers a reproducible and efficient means of obtaining purified mer-cury, suitable for modern Ayurvedic pharmaceutical practices. Enhancing the quality and yield of mercury for use in Ayurvedic medicinal formulations by improved extraction techniques would ensure that the material is safe, effective, and comply with environmental and regulatory requirements.

Formulation of Ready-to-Use Broccoli Extracts Rich in Polyphenols and Glucosinolates Using Natural Deep Eutectic Solvents.

Broccoli is rich in biologically active compounds, especially polyphenols and glucosinolates, known for their health benefits. Traditional extraction methods have limitations, leading to a shift towards using natural deep eutectic solvents (NADESs) to create high-quality extracts with enhanced biological activity. This study focuses on preparing broccoli extracts in NADES, enriched with polyphenols and glucosinolates, without additional purification steps. Using the COSMOtherm software, the solubility of polyphenols and glucosinolates in NADESs was predicted, and five biocompatible betaine-based NADESs were prepared with glucose (B:Glc1:1 and B:Glc5:2), sucrose (B:Suc), glycerol (B:Gly), and malic acid (B:MA) as hydrogen bond donors. The resulting extracts were assessed for total polyphenol and glucosinolate content, along with antioxidant capacity, using the ORAC assay. The results demonstrated that NADES extracts contained higher polyphenol content and exhibited enhanced antioxidant effects compared to the reference ethanol extract, with B:Glc1:1 extract showing the highest performance among all the extracts tested. On the other hand, the extract based on B:MA exhibited nearly six times higher total glucosinolate content compared to the ethanol extract. Additionally, polyphenols and glucosinolates were generally more stable in NADES extracts than in the reference solvent. Finally, the B:Glc1:1 extract, identified as optimal in terms of polyphenol and glucosinolate content and stability, exhibited mild stimulation of HaCaT cells growth and facilitated the wound-healing process. Through green chemistry parameter calculations, we demonstrated that the extraction of broccoli bioactives using B:Glc1:1 can be considered sustainable, underscoring the potential of NADESs for producing ready-to-use plant extracts.

Single-step purification and characterization of Pseudomonas aeruginosa azurin.

Azurin is a small periplasmic blue copper protein found in bacterial strains such as Pseudomonas and Alcaligenes where it facilitates denitrification. Azurin is extensively studied for its ability to mediate electron-transfer processes, but it has also sparked interest of the pharmaceutical community as a potential antimicrobial or anticancer agent. Here we offer a novel approach for expression and single-step purification of azurin in Escherichia coli with high yields and optimal metalation. A fusion tag strategy using an N-terminal GST tag was employed to obtain pure protein without requiring any additional purification steps. After the on-column cleavage by HRV 3C Protease, azurin is collected and additionally incubated with copper sulphate to ensure sufficient metalation. UV-VIS absorption, mass spectroscopy, and circular dichroism analysis all validated the effective production of azurin, appropriate protein folding and the development of an active site with an associated cofactor. MD simulations verified that incorporation of the N-terminal GPLGS segment does not affect azurin structure. In addition, the biological activity of azurin was tested in HeLa cells.

Challenges for Hybrid Water Electrolysis to Replace the Oxygen Evolution Reaction on an Industrial Scale

To enable a future society based on sun and wind energy, the transformation of electricity into chemical energy in form of fuels is crucial. Electrolysis offers a promising solution, achieving this transformation by splitting water. At the anode, the oxygen evolution reaction (OER) produces protons and electrons that are used at the cathode for the hydrogen evolution reaction (HER) to generate hydrogen fuel. While hydrogen is the desired product, oxygen has limited economic value. From a techno-economic standpoint, a more attractive approach is hybrid water electrolysis, which replaces the OER with value-added oxidation reactions of abundant organic feedstocks.However, significant challenges stand in the way of widespread adoption of hybrid water electrolysis for large-scale industrial applications. This work provides a critical analysis of these hurdles, delving deeper into each aspect:Higher Kinetic Overpotentials for Organic Oxidation Reactions: Compared to the well-established OER, organic oxidation reactions generally have a lower energy consumption, but generally necessitate greater overpotentials to overcome kinetic limitations. Addressing this challenge requires the development of novel electrocatalysts that can significantly reduce the activation energy for organic oxidation reactions, bringing their kinetic performance closer to that of the OER.Limited Availability and Product Demand of Feedstocks and Products: The organic feedstocks suitable for these reactions may be less abundant or have a lower market demand compared to hydrogen (or even CO2 reduction). This scarcity or limited economic value of the organic substrates and products can potentially hinder the overall economic viability of hybrid water electrolysis. Extensive research into utilizing readily available and sustainable organic feedstocks is crucial. Additionally, exploring and developing markets for the products generated from these oxidation reactions would be necessary for widespread adoption.Additional Purification Needs: The products formed during organic oxidation reactions might require further purification steps to meet the specifications required for downstream applications. These additional purification processes add complexity and increase the cost associated with hybrid water electrolysis. Developing selective electrocatalysts that generate the desired products in high purity could significantly alleviate this challenge.High Activity: The catalysts should possess a high intrinsic activity for the target organic oxidation reactions, ensuring fast reaction rates and maximizing product yield.Selectivity for the Desired Products: Indiscriminate oxidation of the organic feedstock can lead to the formation of undesired byproducts, reducing the efficiency and necessitating complex downstream separations. Therefore, catalysts with high selectivity for the targeted products are essential.Long-Term Stability: Electrocatalysts must maintain their activity and selectivity over extended periods under operating conditions. Degradation of the catalysts can occur due to various factors, including chemical and structural transformations during operation. Developing electrocatalysts with exceptional long-term stability is paramount for the practical application of hybrid water electrolysis.By outlining these challenges, we aim to stimulate discussion and guide research efforts within the academic community. Addressing these critical aspects is essential to pave the way for the successful implementation of hybrid water electrolysis at an industrial scale, ultimately enabling a sustainable energy future.Kahlstorf, J. N. Hausmann, T. Sontheimer, P. W. Menezes, Challenges for Hybrid Water Electrolysis to Replace the Oxygen Evolution Reaction on an Industrial Scale. Global Challenges 2023, 7, 2200242. Figure 1

Green recovery of nuciferine from lotus leaf via star anise oil based two-phase solvent extraction integrated with back-extraction

In this study, we present a novel green bio-based solvent, star anise oil (SAO), which was employed to develop a two-phase solvent system incorporating both alkaline and acidic solutions for the simultaneous extraction and purification of nuciferine from waste lotus leaf. This integrative approach effectively combines two-phase solvent extraction (TPSE) with back-extraction (BE), resulting in a more streamlined extraction process that requires only vortexing (or stirring) and centrifugation, thus simplifying the overall procedure. It is important to note that this method uses very little solvent (only 2.5 times the volume of SAO relative to the weight of the lotus leaf) and takes just 4 min per extraction. After three such extractions, the recovery rate of nuciferine can reach as high as 96.9%. Unlike volatile solvents such as petroleum ether and ethyl acetate, SAO's high boiling point negates the necessity for nitrogen protection during centrifugation, thereby addressing the Pickering emulsification issues caused by particles. Only two back-extraction operations are needed to recover 96.9% of nunciferine from the TPSE extract, resulting in a nunciferine content of 45.4%. Furthermore, approximately 90% of the SAO can be directly reused for at least five cycles without additional purification. Additionally, 85.0% of the SAO remaining in the TPSE waste can be recovered through hydrodistillation (HD) within 30 min. The excellent performance in biomass and extraction solvent selection, solvent repurposing, and other factors contributed to a Path2Green score of 0.28 for this method, highlighting its suitability for the green recovery of nuciferine from lotus leaf.

Sustainable aqueous-mediated one-pot synthesis of 2-hydroxy-5-oxo-5,6,7,8-tetrahydro-4H-chromene and coumarin derivatives using taurine as the green bioorganic catalyst

In this study, two taurine-catalyzed, aqueous-mediated methodologies were reported for the synthesis of 4-aryl-2-hydroxy-7,7-dimethyl-5,6,7,8-tetrahydro-4H-chromen-5-one (3a-j) and 3-substituted coumarin derivatives (3′a-f) under reflux conditions. These methodologies entail the use of substituted aromatic aldehydes, diethyl malonate, and dimedone as reagents for the sustainable synthesis of 2-hydroxy-tetrahydro-4H-chromene derivatives via the Knoevenagel-Michael cascade, as well as the use of substituted salicylaldehyde with diethyl malonate or ethyl 3-oxobutanoate for the efficient synthesis of coumarin derivatives via the Knoevenagel-transesterification reaction. These strategies emphasize environmental sustainability and are designed as one-pot processes, ensuring simplicity and convenience. The methods deliver high yields and are cost-effective, significantly reducing reaction times, enhancing step efficiency, and are successful at the multigram level. Notably, the taurine catalyst demonstrates exceptional reusability, maintaining its activity for up to five cycles without notable degradation. The catalyst is easily recoverable through filtration, and the overall procedure is streamlined, requiring no additional purification steps. These attributes collectively contribute to the green chemistry paradigm by minimizing waste and energy consumption, thus offering a practical and efficient approach to the synthesis of these important organic compounds.

Fully Atom-Efficient Solvent-Mediated Biopolymer Manufacturing: A Base Case Illustrated with Macromolecular Surfactants Tailored to Stable Polymer-Water Interfaces.

This work introduces a novel 1-pot, 0-waste, 0-VOC methodology for synthesizing polymeric surfactants using acrylated epoxidized soybean oil and acrylated glycerol as primary monomers. These macromolecular surfactants are synthesized via reversible addition-fragmentation chain transfer (RAFT) polymerization, allowing for tunable hydrophilic-lipophilic balance (HLB) and ionic properties. We characterize the copolymers' chemical composition and surface-active properties, and evaluate their effectiveness in forming and stabilizing emulsions of semiepoxidized soybean oil and poly(acrylated epoxidized high oleic soybean oil). Comprehensive analyses, including gel permeation chromatography, nuclear magnetic resonance spectroscopy, dynamic light scattering, particle size distribution, zeta potential, and critical micelle concentration, provide detailed insights into the copolymers and the emulsions they form. The results demonstrate that the RAFT-polymerized surfactants offer long-lasting stability and effectively disperse both common oil-in-water emulsions and highly viscous and hydrophobic polymer latexes. These surfactants outperform traditional small molecule surfactants by reducing particle size and preventing phase separation, even over extended storage periods. Stable polymer-water interfaces are achieved through HLB control, tailored by monomer composition, and the final product requires no additional purification since polymerization occurs in liquid surfactants. While small molecules contribute to rapid micelle formation, the polymeric components enhance long-term stability through steric repulsion and slower dynamics. This method enables even the emulsification of polymers with submicron particle size, which ordinarily requires emulsion polymerization. Integrating biobased polymeric surfactants with advanced polymer processing techniques opens new possibilities for transforming highly hydrophobic polymers into latexes, facilitating downstream applications. This innovation enhances the environmental sustainability of surfactant production and broadens the potential for polymer emulsification technologies. Additionally, the integrated solution-processing approach demonstrated here can be applied to other emerging polymers, where judiciously selected nonvolatile solvents facilitate the polymerization and play a role in the final application.

Highly enhanced fluoride removal from aqueous systems via solvent extraction utilizing trialkyl phosphine oxide as an efficient extractant

Solvent extraction (SX) has been recognized as an efficient approach for the large-scale removal of impurities, demonstrating considerable potential for fluoride extraction in industrial applications. However, existing fluoride extraction methods typically require the incorporation of additives to form complexes with fluoride for its removal. Due to the excessive additive requirements for efficient fluoride removal, these methods inevitably result in secondary contamination of feed solution, necessitating additional purification efforts to remove them. In this study, four extractants (trioctyl amine, tributyl phosphate, trioctyl phosphate, and trialkyl phosphine oxide (TRPO)) were investigated for fluoride removal via hydrogen bonding with hydrofluoric acid (HF). Various parameters, including the concentrations of extractants and stripping agents, pH values, extraction time, and temperature were initially optimized. It was found that TRPO exhibits the highest extraction efficiency for HF, with a single-stage extraction rate exceeding 70 %. Complete fluoride removal (> 99.9 %) was achieved through a consecutive four-stage extraction process. Further experiments, including maximum loading and slope analysis, combined with FT-IR and 19F NMR characterization, and DFT calculations elucidate the mechanism of the extraction. The transfer of HF into the organic phase is accomplished by the formation of a 1:1 hydrogen-bonded complex with TRPO. The loaded fluoride in the organic phase can be easily stripped by a base to get a fluoride salt. This study paves the way for the construction of novel SX systems to remove fluoride as HF.

Controlled chemical transformation of lignin by nitric acid treatment and carbonization

This study focuses on understanding the chemical reactions and results of Kraft lignin transformation through nitric acid treatment and subsequent carbonization. With its rich carbon content, lignin stands out as a promising candidate for the manufacturing of high-value carbon materials. The lignin underwent effective nitration, depolymerization, and oxidation under ambient conditions and at 40 °C, while a slight increase in reaction temperature significantly reduced the reaction time. The molecular weight Mw was effectively reduced from 4371 g/mol to 767 g/mol. The acid-treated lignin samples with incorporated nitro groups were further carbonized to create nitrogen-doped carbon structures. The resulting materials show stable nitrogen content (about at 5 wt%) even after carbonization due to the transformation of nitro groups into thermally stable pyridinic moieties, thereby exhibiting enhanced electrocatalytic properties compared to nitrogen-free carbon materials derived from Kraft lignin. The nitric acid-assisted treatment of lignin obviates the need for catalysts, and additional extraction or purification steps for preparing bio-derived carbon precursors, rendering it facile, fast, and cost-efficient.

RNA Nanotechnology for Codelivering High-Payload Nucleoside Analogs to Cancer with a Synergetic Effect.

Nucleoside analogs are potent inhibitors for cancer treatment, but the main obstacles to their application in humans are their toxicity, nonspecificity, and lack of targeted delivery tools. Here, we report the use of RNA four-way junctions (4WJs) to deliver two nucleoside analogs, floxuridine (FUDR) and gemcitabine (GEM), with high payloads through routine and simple solid-state RNA synthesis and nanoparticle assembly. The design of RNA nanotechnology for the co-delivery of nucleoside analogs and the chemotherapeutic drug paclitaxel (PTX) resulted in synergistic effects and high efficacy in the treatment of Triple-Negative Breast Cancer (TNBC). The 4WJ-drug complexes were confirmed to have efficient tumor spontaneous targeting and no toxicity because the motility of RNA nanoparticles has been previously shown to enable these RNA-drug complexes to spontaneously accumulate in tumor blood vessels. The negative charge of RNA enables those RNA complexes that are not targeted to tumor vasculature to circulate in the blood and enter the urine through the kidney glomerulus, without accumulating in organs, therefore being nontoxic. Drug incorporation into RNA 4WJ can be precisely controlled with a defined loading amount, location, and ratio. The incorporation of nucleoside analogs into 4WJ only requires one step using nucleoside analogue phosphoramidites during solid-phase RNA synthesis, without the need for additional conjugation and purification processes.

Suppressed Thermal Quenching via Tetrafluoroborate-Induced Surface Reconstruction of CsPbBr3 Nanocrystals for Efficient Perovskite Light-Emitting Diodes.

Although metal-halide perovskite nanocrystals (NCs) have garnered significant attention for optoelectronic applications, the presence of electrically insulating organic ligands in CsPbBr3 NCs hinders efficient charge injection and transportation in light-emitting diodes (LEDs). A common approach to address this issue involves ligand exchange with shorter ligands and precise control of the surface ligand density through additional purification steps. Nevertheless, the practical application of these methods has been hindered by their poor structural integrity and high surface-defect density, which remain a challenge. Our investigation reveals that NOBF4 treatment effectively replaces native ligands with BF4- anions, in which BF4- anions are readily coordinated with the positively charged CsPbBr3 surface metal centers, thereby improving the photoluminescence quantum yield (PLQY) and thermal stability. In particular, the presence of BF4- anions coordinated at CsPbBr3 surfaces efficiently suppresses the pathway of excitons toward thermally activated nonradiative recombination, leading to minimal thermal quenching and superior device performance in green-emitting PeLEDs. Notably, PeLEDs based on CsPbBr3 NCs with the reconstructed surface via NOBF4 treatment exhibit an improved current efficiency of 31.12 cd/A and an external quantum efficiency of 11.24%, increased by 2.8 times compared to that of the pristine sample, indicating the enhanced hole-electron injection and transport into the CsPbBr3 NCs. Therefore, our results highlight the potential of NOBF4 as a versatile reagent for the ligand exchange and surface passivation of CsPbBr3 NCs, thereby offering promising prospects for the development of stable, high-performance PeLEDs.

Verification of On-Site Applicability of Rainwater Road Surface Spraying for Promoting Rainwater Utilization and Analyzing the Fine Dust Reduction Effect

This study conducted a pilot test and field demonstration to analyze the feasibility of using rainwater for road surface sprinkling and its effectiveness in reducing fine dust to create sustainable cities. The pilot test results verified the effectiveness of rainwater sprinkling on road surfaces in reducing fine dust. Subsequently, to ensure field applicability, a test bed with different pavement sections was established along Ojeong-ro in Bucheon, Gyeonggi-do, and a circulatory system for reusing the runoff rainwater was installed and tested for its acceptable dust reduction effectiveness. The results showed that the section with porous pavement exhibited a significant reduction in acceptable dust levels, and a trend of decreasing pollutant levels due to the initial washing effect of rainwater was observed. However, the water quality and quantity analysis revealed that additional purification processes are necessary to reuse the water for road surface sprinkling. Based on these findings, this study suggests that expanding porous pavement and introducing purification systems are essential for installing rainwater utilization facilities to reduce fine dust in urban areas. This research provides critical foundational data that can contribute to urban environmental improvement and establish a sustainable water circulation system.

B-229 Extraction-free Nucleic Acid Sample Preparation from Inhibitor Rich Samples via Hyperbaric Heating

Abstract Background Extraction-based nucleic acid sample preparation for PCR is limited by long processing times, liquid transfers, cost, and storage requirements. Extraction-free approaches enable streamlined sample prep but are severely impacted by inhibitors present in biological sample matrices. We previously reported the use of Hyperbaric Heating (HBH) for effective organism lysis and demonstrate here its effectiveness to prepare nucleic acids for PCR from various inhibitor-rich sample matrix types. Methods HBH exposes the sample to high temperature/high pressure environment for a short duration. This process effectively lyses organisms and denatures inhibitors within seconds. Samples are sealed within a pressure-tight metallic vessel, then rapidly heated using magnetic induction. Within the sealed metallic vessel, vaporization of the aqueous sample raises the internal pressure, enabling an internal temperature higher than 100°C. Proprietary sample processing beads containing chelating agents and other proteins protect nucleic acids from fragmentation during heating. Results The efficacy of HBH for PCR amplification was tested against commercial kits and extraction-free methods. HBH treatment of nasal swab samples spiked with inactivated SARS-CoV-2 elicited detection down to 125 viral copies/mL. Viruses such as RSV and Influenza spiked in nasal swab samples demonstrated comparable PCR results as extraction prepped samples. HBH treatment of microbe samples, including Candida albicans spiked in urine and Bacillus subtilis spiked in serum, had comparable PCR threshold cycles as microbe specific DNA extraction methods (Table 1). Conclusions HBH is a generalizable extraction-free nucleic acid sample prep technology affording detection capabilities comparable to commercial sample prep methods. We demonstrated the use of HBH sample prep for detection of several infectious microorganisms in common biological matrices (nasal swab, serum, urine) without additional sample purification. With its ease of use, speed, and lower cost, HBH will be a key tool in applications where nucleic acid amplification is pivotal for diagnostic and research use.

Experimental and theoretical vibrational analysis, structural conformations, DFT estimations, antibacterial, antifungal, DPPH,H2O2, Nitric oxide scavenging activity drug, in silico molecular docking, and ADMET studies of N-(2-carboxylphenyl) phthalimide (CPPD)

The title compound N-(2-carboxylphenyl) phthalimide (CPPD)was purchased with a stated purity of 99 % from M/S. Sigma-Aldrich Co. and utilized as such with no additional purification,CPPD is a thalidomide based derivative, which have led to the uses of most important drugs from 1950 and their mechanisms of action is essential for a better understanding of molecular targets with broad spectrum of biological activity. The obtained FTIR spectral data of the compound were compared to harmonic vibrational frequencies calculated using the ab initio DFT (B3LYP) technique with 6–311++G (d,p)basis sets. Furthermore, 13C and 1H NMR, first-order hyperpolarizability (βo) associated parameters (π, αo)of the compound, theSubsequent to recording the molecule’sUV–Visible spectra, DFT was used to analyze its electronic characteristics, including its HOMO and LUMO energies, molecular electrostatic potential (MESP), and Mulliken population studies were using ab initio DFT6-311++G (d,p)basis sets. Pharmacological Screening investigation of the title molecule showed a strong broad-spectrum of antifungal and antibacterial activity against various Gram (+) and Gram (−) bacteria using Ciprofloxacin as a positive control. The headline molecule is subjected toIn-silico molecular docking research with the purpose of improved recognize its biological activities, in addition with the minimal binding energy and hydrogen bond interaction that can view by Discovery Studio 4.0 visualizers. and drug likeness using Swiss ADME predictor (http://www.swissadme.ch/index.php) along with AdmetSAR-2.0 online software analysis tools features were investigated. The compound CPPD’s ability to degrade DPPH increased as a dose-dependent manner, with its maximal DPPH scavenging characteristic spanning from (18.2 ± 1.5 % to 73.2 ± 1.7 %) and maximum H2O2 scavenging trait ranging from (35.5 ± 5.3to 88.8 ± 3.1 %). The NO free radical scavenging property is linearly dependent on CPPD concentration. The interaction between the CPPD ligands and the 1HD2 protein is demonstrated by these data, as the protein displays a reduced binding energy value of −7.3 (Kcal/mol) and an inhibitory constant (ki) value of 4.39 μM. In swiss ADME prediction, CPPD is an evident from the physicochemical data that has an efficient receptor site binding mechanism. The lipophilicity of a drug is determined by its partition coefficient (Log P=log Po/w) between water and N-(2-carboxylphenyl) phthalimide. The paper further explains that the title compound can act as promising antibacterial and antioxidant agent throughin-vitro and molecular docking studies.

A green, cheap and robust method for selective hydrogenation of nitroarenes

A commercially available nickel was utilized as an effective catalyst for the exclusive hydrogenation of nitroarenes to primary anilines in gram-scale without additional column chromatographic purification. This novel synthetic hydrogenation strategy features wide substrate scope, mild conditions and operational simplicity in aqueous media at room temperature. Further transformations resulted in the delivery of important amine-containing drugs and pharmaceutical intermediates.