Catalysts based on Ni-Me (Me = Co, Nb) supported on γ-Al2O3 were prepared by the coprecipitation-chemical deposition method via reflux, and hydrothermal method for oxidative dehydrogenation of ethane. For coprecipitation method, ammonia and urea were used as precipitating agents. In both methods, the Ni content was 30 wt.%, whereas that of Me (Co, Ni) was 5 wt.%. The activity and selectivity towards ethylene appeared to depend strongly on the composition of the catalysts and, interestingly, on the preparation conditions. In the present article, it is shown that mixed hydrothermal samples using urea showed the best performance. Specifically, the hydrothermally prepared NiNb/γ-Al2O3 sample was the one that showed the highest values. The introduction of Nb to Ni framework allowed to enrich with nucleophilic oxygen sites displayed via X-ray photoelectronic spectra (XPS) which lead to the formation of low reducible and selective sites. NiMe Co γAl2O3 γAlO γ Al2O3 Al O γ-Al2O coprecipitationchemical chemical reflux ethane agents methods 3 wt wt.% (Co interestingly conditions article performance Specifically NiNb/γAl2O3 NiNbγAl2O3 NiNbγAlO NiNb/γ NiNb NiNb/γ-Al2O values Xray X ray XPS (XPS γAl γAl2O AlO Al2O wt. NiNb/γAl2O NiNbγAl NiNbγAl2O NiNbγ

Coumarin derivatives possess diverse biological activities, encompassing antibacterial, antifungal, anticancer, antidiabetic, anti-inflammatory, and antioxidant effects. This study concentrates on the synthesis of two new coumarins: the first derived from rhizomes of Luvunga scandens and the second from 7-(diethylamino)-4-methyl-2H-chromen-2-one via bromination facilitated by NBS (N-bromosuccinimide) reagent. Their antibacterial and anticancer properties were evaluated in vitro, alongside in silico docking targeting the chromen-2-one group. Bromination of compound 1 yielded novel compound 2, while compound 4 was efficiently synthesized from 7-(diethylamino)-4-methyl-2H-chromen-2-one (3) using NBS. Testing on lung, breast, and liver cancer cell lines indicated that compound 2 effectively inhibited Staphylococcus aureus and Bacillus cereus at concentrations of 13.20 and 6.6 µM, respectively. It also demonstrated significant inhibition against MCF-7 breast cancer cells with a half-maximal inhibitory concentration (IC50) value of 50.37 ± 3.70 µM. Molecular docking revealed compound 2’s interaction with 2VF5 enzyme, elucidating its bacterial inhibition mechanism, with Gibbs energy and inhibition constant values of -7.42 kcal mol-1 and 3.62 µM, respectively. Additionally, compound 2 exhibited anticancer activity via alignment with topoisomerase 1 (3TOP): 1T8I, supported by molecular dynamics simulations illustrating strong ligand interactions. Analysis of pharmacophore kinetics highlighted the complex’s hydrophilic nature, indicating its potential therapeutic efficacy. activities antifungal antidiabetic antiinflammatory, antiinflammatory anti inflammatory, inflammatory anti-inflammatory effects coumarins 7diethylamino4methyl2Hchromen2one diethylaminomethylHchromenone 7 diethylamino methyl 2H chromen one H Nbromosuccinimide N bromosuccinimide (N-bromosuccinimide reagent vitro chromen2one chromenone group 3 (3 lung 1320 13 20 13.2 66 6 6. µM respectively MCF7 MCF MCF- halfmaximal half maximal IC50 IC (IC50 5037 50 37 50.3 370 70 3.7 2s s VF 2VF enzyme mechanism 7.42 742 42 -7.4 mol1 mol mol- 362 62 3.6 Additionally 3TOP TOP (3TOP) 1T8I TI T I interactions complexs complex nature efficacy Hchromen ( 132 13. IC5 (IC5 503 5 50. 3. 7.4 74 -7. 36 (3TOP (IC 7. -7 -

In this work we explore some theoretical and practical aspects of one-pot synthesis. The focal point of the study is the preparation of the thiazole heterocycle, with an emphasis on theoretical aspects of the organic and medicinal chemistry of this important privileged structure. The entire set of experimental procedures and characterization steps explored in this work has the potential to assist in the training and/or technical improvement of undergraduate students, and contribute to the teaching of chemistry in Brazilian higher education. It is worth emphasizing these aspects because the experiments shown in the proposed practices involve simple, rapid, low-risk, and low-cost procedures, making it perfectly feasible to reproduce them in undergraduate classes, even in laboratories with limited material resources. onepot one pot synthesis heterocycle structure andor or students education simple rapid lowrisk, lowrisk low risk, risk low-risk lowcost cost classes resources

Acetylsalicylic acid (ASA) synthesized in the practical classes of experimental organic chemistry is generally discarded after the classes. Thus, the objective of this work is to find an alternative application for ASA and to promote awareness about the recycling of chemicals in educational and research environments. In addition, it explores the subsequent application of this synthesized ASA in the creation of powdered developers for latent fingerprints. The adopted methodology included the recrystallization of the previously synthesized ASA, followed by the development of three distinct formulations of powdered developers, which include ASA, lignin, and methylene blue. Subsequently, these powders were used to identify latent fingerprints, demonstrating that they are promising substances for such applications. (ASA Thus environments addition fingerprints lignin blue Subsequently applications

Hospital laundry is an important source of environmental pollution because its effluent contains high loads of organic matter and microorganisms. Conventionally, the treatment is carried out using aluminum sulfate, a low-cost and highly efficient coagulant that is related to secondary contamination due to the generation of non-biodegradable sludge, its ability to accumulate metals and toxicity. Aiming for sustainable alternatives, the efficiency of tannin from the natural coagulant and Moringa oleifera seed was evaluated in relation to aluminum sulfate, seeking to adapt the color and turbidity parameters and determine the antimicrobial activity of the seed. Using a concentration of 100 mg L-1 of aluminum sulfate, 97.4 and 93.95% of color and turbidity removals in the effluent were obtained, respectively. With 50 mg L-1 tannin showed an efficiency of 84.96% for color removal and 89.75% for turbidity. Tests were also carried out with Moringa oleifera seeds using saline seed extract, crushed seeds and aqueous seed extract, with a reduction in conductivity by more than 99%, removing pollutant ions for the saline extract. Of the methodologies used, the best result was obtained with the aqueous extract, achieving removals of 89.63% of color, 78.33% of turbidity, and inhibition of more than 98.1% of microorganism growth. microorganisms Conventionally sulfate lowcost low cost nonbiodegradable non biodegradable sludge toxicity alternatives 10 L1 L 1 L- 974 97 4 97. 9395 93 95 93.95 respectively 5 8496 84 96 84.96 8975 89 75 89.75 extract 99 99% used 8963 63 89.63 7833 78 33 78.33 981 98 98.1 growth 9 939 93.9 849 8 84.9 897 7 89.7 896 6 89.6 783 3 78.3 98. 93. 84. 89. 78.

The continuous global production of polyurethane (PU) and its environmental persistence generate negative impacts on ecosystems, driving the search for sustainable handling solutions, specifically the use of enzymes. Therefore, this study seeks to elucidate the understanding of the enzymatic degradation mechanism of polyurethanase esterases A and B (PueA and PueB) applied to PU-MDI (methylene diphenyl diisocyanate). In this sense, previously built structures were used and dockings were carried out for the PueA and PueB complexes. The results indicate binding scores of -10.743 and -9.587 kcal mol-1 for PueA and PueB, respectively. Furthermore, the complexes were then subjected to molecular dynamics simulations (MD) for 500 ns in triplicate, showing a good interaction between the enzymes and the PU-MDI. Finally, a QM/MM (quantum mechanics/molecular mechanics) simulation, starting with an adequate snapshot from classical MD was carried out, and a relaxed scan was performed to obtain the occurrence coordinates, followed by umbrella sampling to obtain the free energy profile of the systems. The results indicate that the PueA and PueB reaction mechanisms occur in two steps, with determining energy barriers of 11.95 and 15.10 kcal mol-1, respectively, indicating that these enzymes may be used to degrade PU. PU (PU ecosystems solutions Therefore PUMDI MDI methylene diisocyanate. diisocyanate . diisocyanate) sense 10.743 10743 10 743 -10.74 9.587 9587 9 587 -9.58 mol1 mol 1 mol- respectively Furthermore (MD 50 triplicate PUMDI. MDI. Finally QMMM QM MM quantum mechanicsmolecular mechanics simulation coordinates systems steps 1195 11 95 11.9 1510 15 15.1 mol1, 1, 10.74 1074 74 -10.7 9.58 958 58 -9.5 5 119 11. 151 15. 10.7 107 7 -10. 9.5 -9. 10. -10 9. -9 -1 -

The growing awareness of health and well-being has led to increased consumption of healthy foods, such as exotic fruits, owing to their high nutritional value and global availability. However, the production and trade of exotic fruit presents significant challenges, particularly with regard to increasing supply and ensuring food safety concerning pesticide residues. This review examines modern analytical strategies employed to determine pesticide residues in exotic fruits. It is evident from the literature that ultra-high performance liquid chromatography and gas chromatography techniques, coupled with tandem mass spectrometry, remain the methods of choice for determining pesticide residues. For sample preparation, the QuEChERS (Quick, Easy, Cheap, Effective, Rugged, and Safe) method, renowned for its simplicity and efficiency, is extensively utilized in its original form as well as in acetate, citrate, and other modified versions to enhance its effectiveness. Developing these analytical methods is crucial for ensuring the safety of exotic fruits, protecting consumer health, and facilitating exports to global markets. Further advancements in this field are essential to overcome the challenges posed by producing and trading exotic fruits, thereby promoting food safety and public health. This review also discusses the occurrence of pesticides in exotic fruits. wellbeing being foods fruits availability However ultrahigh ultra techniques spectrometry preparation Quick, Quick (Quick Easy Cheap Effective Rugged Safe method efficiency acetate citrate effectiveness markets

The knowledge of chemistry connected to environmental problems and sustainable development can provide an opportunity for dynamic, investigative, and directed teaching towards the recognition of chemistry itself as a science and social practice. From this perspective, this work aimed to investigate how discussions involving topics related to environmental education are conducted by researchers and/or professionals in chemical education, based on articles published in the journal Química Nova na Escola (QNEsc). The selection of articles was made considering publications from QNEsc between the years 1995 and 2022, focusing on terms such as environmental education, environment, pollution, environmental aspects, sustainability, and sustainable development present in the title, abstract, and/or keywords of the published articles. The selected texts were analyzed using Iramuteq software, applying correspondence factorial analysis (CFA), hierarchical descendant classification (HDC), similarity analysis, and word cloud using their respective abstracts. The data show that topics such as water, pesticides, waste, and plastic materials (polymers) were the most addressed by the publications, indicating a path that seeks to present and discuss proposals that value the need for sustainable actions, addressing environmental issues that directly impact the way humans use natural resources in the present and future. dynamic investigative practice perspective andor or QNEsc. . (QNEsc) 199 2022 environment pollution aspects sustainability title abstract software CFA, CFA , (CFA) HDC, HDC (HDC) abstracts water pesticides waste polymers (polymers actions future (QNEsc 19 202 (CFA (HDC 1 20 2

The extraction and processing of ornamental rocks generate a very significant amount of waste, representing an environmental and public health problem. The residue is a fine-grained compound by rock powder and inputs used in the processing process have a potential economic value. The present study was carried out to evaluate the efficiency of the waste generated in the discoloration of an aqueous solution containing methylene blue dye, such as alternative for treating textile effluents. The samples were characterized by X-ray diffraction, inductively coupled plasma optical emission spectroscopy, scanning electron microscopy, transmission electron microscopy and energy dispersive X-ray spectroscopy. The catalytic properties of the samples were evaluated in the Fenton and photo Fenton reactions at pH 3 and natural pH. The best decolorization efficiency (≈ 95%) was achieved using the GRM catalyst at pH 3, after 5 min of photo Fenton reaction. Importantly, owing to its excellent structural and chemical stability, the samples showed a decolorization efficiency above 95% after 5 consecutive cycles of 30 min of reaction. This innovative strategy not only offers a new prospect for the rational disposal of abrasive mud waste, but also contributes to minimizing environmental impacts, promoting sustainable development in the stone industry. problem finegrained fine grained value dye effluents Xray X ray diffraction spectroscopy ≈ ( 95 reaction Importantly stability impacts industry 9

At sewage treatment plants, sludge management remains a bottleneck, requiring efficient and cost-effective solutions for treating this solid byproduct. It is known that the presence of plants can accelerate the sludge drying process, as a result, vertically flowed constructed wetlands (VFCWs) have been evaluated as alternatives to traditional drying beds. Though, for better applicability of this technology, this study premised on evaluating greenhouse gas (GHG) emissions in VFCWs constructed for anaerobic sludge treatment. To compare GHG emissions across different seasonal conditions, three configurations were tested: four units planted with Tifton-85 grass (Cynodon spp.), four units planted with elephant grass (Cenchrus purpureus), four control units without vegetation presence, with four sludge loading rates in each configuration: 75, 100, 150, and 200 kg TS (total solids) m-2 year-1. Higher sludge loading rates led to increased methane emissions, with emissions escalating during the rainy season. Methane emissions decreased towards the end of the resting period. The presence of vegetation reduced methane emissions mainly during the resting period due to increased aeration of the units. The conditions that would provide lower GHG emissions would be with loads of up to 100 kg m-2 year-1, in units planted with Tifton grass. bottleneck costeffective cost effective byproduct process result (VFCWs beds Though technology (GHG tested Tifton85 85 Tifton-8 Cynodon spp., spp spp. , spp.) Cenchrus purpureus, purpureus purpureus) configuration 75 150 20 total solids m2 m 2 m- year1. year1 year 1. 1 year-1 season 10 year1, 1, Tifton8 8 Tifton- 7 15 year-