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- Research Article
- 10.1080/17597269.2026.2627061
- Feb 13, 2026
- Biofuels
- Gnanaselvan Gnanasekaran + 4 more
The effective separation and purification of biofuel components from dilute aqueous broth is critical for the sustainable production of advanced biofuels, including aviation fuels. This study evaluates the performance of membrane solvent extraction (MSE) using 2,6-dimethyl-4-heptanol (DMHT) as an extraction solvent for key biofuel intermediates: acetone (ACT), ethanol (ET), n-butanol (nB), and isobutanol (IBA). Analysis of the solute concentrations and membrane transfer flux over time and their variability are reported. Initially, all components exhibited the highest flux due to higher concentration driving force, followed by a sharp decline, as the driving force decreases. Among the components, nB and IBA showed better extraction efficiencies, with high initial flux and rapid extraction kinetics, and higher overall mass transfer coefficients owing to their higher Kd, hydrophobicity, and selectivity. ACT and ET, with lower Kd, hydrophobicity and selectivity, exhibited more gradual extraction behavior with lower efficiencies. Novel empirical modeling approach reported here enables us to better analyze the MSE concentration profile data and, hence,accurately determine the membrane transfer flux and the overall mass transfer coefficient. The extraction kinetics reflect a trade-off between partitioning (strongly favoring butanols) and diffusion (favoring ethanol and acetone), with overall transport governed by combined resistance effects. This theoretically expected behavior is consistent with experimental data .
- Research Article
- 10.1021/acscatal.5c07220
- Feb 4, 2026
- ACS catalysis
- Kinga Gołabek + 5 more
Lewis acid zeolites, primarily Al-free Zr and Sn silicates, catalyze the chemoselective reduction of ketones and aldehydes to the corresponding alcohols through hydrogen transfer (Meerwein-Ponndorf-Verley (MPV) reduction). Sn silicates are more active in the MPV reduction of ketones, whereas Zr silicates are more active in the MPV reduction of aldehydes. However, the catalytic activity of these zeolites has not been accurately ascribed to "open" vs. "closed" Zr sites even though this correlation is crucial for systems whose substrate structure allows competing reaction pathways. For example, MPV reduction of citronellal competes with carbonyl-ene cyclization to isopulegol and acetalization in the citronellal reaction with 2-propanol. Therefore, we aimed to correlate thoroughly characterized Lewis acid sites in Zr-substituted beta and MFI zeolites with their selectivity. For this purpose, we analyzed Zr-zeolite acidity by fourier transform infrared spectroscopy (FTIR) spectroscopy of adsorbed deuterated acetonitrile and acetone because deuterated acetonitrile probes "open" Zr sites without interacting with "closed" sites, but acetone identifies both "open" and "closed" sites. Our results showed that Zr-beta rich in Zr "closed" sites favored MPV reduction. Conversely, Zr-beta rich in "open" sites and reference catalysts yielded isopulegol as the main product. Ion exchange of the Zr-beta "open" sites with Na+ cations deactivated these sites, thereby switching the selectivity to citronellol. In turn, the silanol groups of the catalyst promoted acetalization, regardless of substituting the heteroelement (Zr or Sn). These findings demonstrate that Zr-site Lewis acidity determines terpenoid reduction selectivity, as the relatively weaker Zr-beta "closed" sites catalyze citronellal MPV reduction to citronellol, while the relatively stronger Zr-beta "open" sites catalyze intramolecular carbonyl-ene cyclization to isopulegol. Moreover, this correlation between selectivity and Zr-site Lewis acidity may enable us to design specific catalysts, even for systems with competing reactions, based on quantitative data acquired using our experimental paradigm.
- Research Article
- 10.3168/jds.2025-27491
- Feb 1, 2026
- Journal of dairy science
- Prashant Ghimire + 1 more
Three experiments were conducted to evaluate the effects of sample grinding techniques, filter bag preparation, and postincubation washing methods on NDF disappearance and degradation kinetics. In experiments 1 and 2, samples of corn silage, alfalfa hay, grass hay, and triticale silage were dried and ground to pass a 6-mm screen, then further processed through either a 1-mm cutter mill (CUT) or a 1-mm cyclone mill (CYC). Filter bags were filled with forage samples and either prerinsed with acetone (ACE) or left untreated (CON). Experiment 1 assessed NDF disappearance from bags subjected to various washing procedures without ruminal incubation. Experiment 2 evaluated in situ NDF disappearance after 0, 3, 6, 12, and 24 h of ruminal incubation followed by different washing methods. Experiment 3 extended incubation times to 240 h and compared hand wash (HW) versus machine wash (MW) treatments. All experiments followed a randomized complete block design with forage type as a random effect and grinding method, bag preparation, and washing procedure as fixed effects. Results from experiment 1 showed ACE bags retained more NDF than CON bags, and CYC grinding increased NDF disappearance, especially with MW. In experiment 2, significant interactions among grinding, bag preparation, and washing were observed, though NDF disappearance was minimal at short incubation times (<12 h). Experiment 3 revealed higher undigested NDF concentrations with HW and CYC grinding, with no interaction between grinding and washing methods. Cyclone grinding produced finer particles, contributing to greater NDF disappearance even in the absence of microbial activity. These findings underscore the need for methodological standardization to ensure accurate and biologically meaningful forage evaluation.
- Research Article
- 10.1016/j.aca.2025.344992
- Feb 1, 2026
- Analytica chimica acta
- Chowdhury Kamrul Hasan + 2 more
Screening organic peroxide explosives (OPEs) such as hexamethylene triperoxide diamine (HMTD), methyl ethyl ketone peroxide (MEKP), and triacetone triperoxide (TATP) from ambient interferents (e.g. household H2O2, perfume, and nail polish remover) at the security heightened areas has been a significant challenge for the security authorities worldwide. The present research aims to overcome this challenge for the first time by integrating a UV LED based micro-photoreactor with an in-house developed stabilising reagent to screen the OPEs from household H2O2. Since OPEs along with H2O2 upon their exposure to UV radiation spontaneously generate peroxy moieties and radicals, the aqueous stabilising reagent, composed of dimethyl sulfoxide (100mM), sodium thiosulfate (100μM), and cobalt chloride (10μM), was developed to effectively stabilise these peroxy moieties. We confirmed this stabilising phenomenon by investigating GC-MS profile of OPE samples with/without activating the micro-photoreactor, revealing controlled stabilisation of photodegradation products from MEKP and significant stabilisation of those from HMTD and TATP. Notably, we observed how the swabs of OPEs from skin surfaces, when immersed in the screening reagent prior to their transfer via the active micro-photoreactor (driven with radiometrically optimised parameters e.g., 800KHz, 3.3V, and 0.13 Amp), enabled flow injection analysis-chemiluminescence (FIA-CL) signals remarkably distinguishable from that of H2O2 within 10s. We present a novel screening mechanism of OPEs from household products using in-house developed and radiometrically characterised UVLED based portable micro-photoreactors as well as stabilising reagent to stabilise the photodegradation of OPEs. This study affords selective and ultra-trace level of screening of HMTD (0.12μM, n=3, RSD 6%), MEKP (0.08μM, n=3, RSD 6%) and TATP (0.16μM, n=3, RSD 7%) from H2O2, highlighting its potential for real-world explosive screening applications in security heightened settings in a rapid, safe, and effective manner.
- Research Article
- 10.31676/2073-4948-2025-83-31-41
- Jan 6, 2026
- Pomiculture and small fruits culture in Russia
- G E Larina + 2 more
The antioxidant status of woody plants is linked to their adaptation to stress factors, including the influence of phytopathogens and agricultural practices. Information on methods for extracting natural plant antioxidants is contradictory or insufficient due to the complexity of the physicochemical extraction processes and analysis conditions. This study aims to investigate the extraction efficiency of antioxidants using extractants of different polarity in samples of a model woody plant. The following pure solvents and their mixtures in specified ratios were examined: distilled water (DW), water/ethanol 50:50 (W/E), water/ acetone 50:50 (W/A), acetone (AC), 96 % ethanol (ET), acetone/ethanol 50:50 (A/E50), acetone/ethanol 90:10 (A/E10), and dichloromethane (DCM). The antioxidant activity of the obtained extracts was assessed using an amperometric detector and standard antioxidants of various nature (ionol, quercetin, gallic acid). Additionally, the instrument sensitivity to these compounds was evaluated using mobile phases of varying acidity. The study experimentally demonstrated the high sensitivity of the method for detecting plant antioxidants using a gallic acid standard in the concentration range of 0.1–5 μg/ml. Water and acetone-ethanol solutions were identified as the most effective for extracting antioxidant compounds from plant samples (leaves and roots of the model plant), while acetone was most effective for samples of the multicomponent nutrient substrate (soil model). In leaf samples, the highest content of acid-soluble antioxidants was observed for: DW – 0.12–0.14 mg/g, A/E50 – 0.11 mg/g, and A/E10 – 0.19 mg/g. The highest content of the base-soluble antioxidants group was characterized for: DW – 0.53 mg/g, W/A – 0.41 mg/g, and A/E10 – 0.57 mg/g. Data on the antioxidant activity of root extracts showed maximum values for: A/E10 – 0.15 mg/g, DW – 0.14 mg/g, W/A – 0.11 mg/g – for acid-soluble antioxidants; and W/E – 0.4 mg/g, W/A – 0.43 mg/g, AC – 0.41 mg/g, A/E50 – 0.403 mg/g, A/E10 – 0.64 mg/g – for base-soluble antioxidants. The data on the antioxidant content in extracts from the soil substrate showed selectivity, with significant values obtained only for the AC variant – 0.6–3.2 mg/g.
- Research Article
1
- 10.15517/caks2s94
- Dec 10, 2025
- Odovtos - International Journal of Dental Sciences
- Jaime Barcena-Taco + 5 more
This study evaluated the effect of different chemo-mechanical cleaning protocols on the residual presence of epoxy resin-based and bioceramic endodontic sealers, as well as the bond strength of a universal adhesive system for cementing fiber posts to intraradicular dentin. A total of 160 bovine incisors were prepared using the ProTaper system and filled with either an epoxy resin-based sealer (Vioseal) or a bioceramic sealer (BioRoot RCS). Four cleaning protocols were tested: ethanol (ET), amyl acetate (AA), acetone (AC), and an experimental solution (EX) combining amyl acetate, ethanol, and acetone. Residual sealer was analyzed via scanning electron microscopy, and bond strength was assessed through push-out tests. Fracture patterns were examined under a stereomicroscope, and data were analyzed using ANOVA and Kruskal-Wallis tests (α=5%). For epoxy resin-based sealers, AA and AC resulted in greater dentinal tubule opening than ET and EX (p<0.05), with AC leaving the least residue. Conversely, ET and EX showed higher residual presence. For bioceramic sealers, ET and EX achieved the greatest tubule opening (p<0.05). Bond strength was highest with ET in the apical third (epoxy sealer) and in the cervical third (bioceramic sealer) (p<0.05). Ethanol and the experimental solution effectively removed bioceramic sealer residues while preserving bond strength. Although epoxy resin-based sealers left more residue, all tested protocols provided satisfactory adhesion.
- Research Article
- 10.1186/s41936-025-00521-x
- Dec 7, 2025
- The Journal of Basic and Applied Zoology
- M J Radha + 1 more
Abstract Background Plants play a key role in the food and pharmaceutical industries as a source of natural products, which are considered alternative medicines for treating many diseases. Although plants are rich sources of phenolic, flavonoids, and other secondary metabolites, the functional roles of these bioactive compounds can be studied by supplementing the diet of Drosophila spp. and subsequently evaluating the behavioral outcomes. This study aimed to conduct a comparative analysis of the behavioral traits and explore the foraging potential of Drosophila mutants, namely Upheld 1 (up 1 ) and Taxi KO (tx ko ), along with positive and negative control groups, during the third instar larval stage when supplemented with peanut skin extracts extracted from solvents, namely, ethyl acetate (EAE), acetone (AE), and methanol (ME). Methods Peanut skin was defatted and extracted with solvents (EAE, AE & ME) using the Soxhlet extraction method. The antioxidant capacity of each extract was evaluated using the 2,2-diphenyl-1-picrylhydrazyl(DPPH) radical scavenging assay, and the total phenolic and flavonoid contents of PSE were also assessed. FT-IR (Fourier Transform Infrared) spectroscopy and GC–MS (Gas Chromatography–Mass Spectrometry) analyses were performed to identify the major functional groups as well as the volatile and derived components respectively. The behavioral attributes of third-instar larvae mutants and controls (positive and negative groups) along with wild-type strains ( Canton-S and w 1118 ) were assessed through locomotion and feeding assays (n = 20/group). Results The AE showed the highest antioxidant activity, with greater phenolic and flavonoid contents. The DPPH assay at a concentration of 200 µg/mL was found to have optimal free-radical scavenging activity. Among the extracts, PSE from AE exhibited the strongest free-radical scavenging effect, followed by the EAE and the ME, when compared with standard Vitamin C. The investigations further indicated that PSE positively influenced the foraging behavior of Drosophila spp., probably mitigating the functional deficits caused by mutations. Notably, PSE supplementation resulted in statistically significant ( P < 0.05 ) improvements in locomotor (distance crawled) and feeding (peristalsis cycles) behaviors, when compared with the control group. Conclusions The PSE-fed larvae exhibited altered behavioral attributes in third-instar larvae, due to modifications in the neuronal system, indicating that PSE influences neurobehavioral patterns. Further advanced studies are required to gain deeper insights into the cognitive attributes.
- Research Article
1
- 10.1002/smtd.202501753
- Nov 28, 2025
- Small methods
- Danlin Sun + 5 more
A planar layered MOF material, PTCDA-Ni, is prepared through a coordination reaction of PTCDA (3,4,9,10-perylenetetracarboxylic acid) with Ni ions, and the PTCDA-Ni is activated by solvent exchange activation with trichloromethane (TCM), acetone (AC), and co-activation with AC and microwaves (AC&Mw) to obtain three MOFs materials (PTCDA-Ni@TCM, PTCDA-Ni@AC, PTCDA-Ni@AC&Mw). The results show that the activated PTCDA-Ni has a different degree of enhancement in the specific surface area, the size of the pore size, and its stacking aggregation compared with the unactivated PTCDA-Ni. Meanwhile, the activation strategy can reduce the content of guest molecules in the pore structure, exposing more active sites and then improving the electrochemical properties. As a result, the capacity retention of PTCDA-Ni electrode before activation is 60.8% after 200 cycles at a current density of 0.1 A·g-1, while under the same conditions, the capacity retention of PTCDA-Ni@TCM, PTCDA-Ni@AC, and PTCDA-Ni@AC&Mw electrodes are significantly improved to 92.1%, 96.9%, and 96.9%, respectively. The results of the GITT test and the CV curves at different scanning speeds similarly show that the activation strategy can increase the migration rate of lithium ions and further improve its electrochemical performance, which will open up a new idea for the design of anode materials for high-performance LIBs.
- Research Article
- 10.1149/ma2025-02432159mtgabs
- Nov 24, 2025
- Electrochemical Society Meeting Abstracts
- Rohit Rajendran Menon + 5 more
The intermittent nature of renewable energy sources is the key obstacle to decarbonizing global energy consumption, rendering cheap and efficient energy storage solutions pivotal. Hydrogen gas has extremely low volumetric energy density at atmospheric pressure, and storing renewable energy in compressed or cryogenic hydrogen requires compression and subsequent expansion, in addition to expensive high-pressure tanks, making it costly and inefficient energetically [1].Organic couples that can be reversibly converted between hydrogen-rich and hydrogen-lean forms by redox reactions in electrochemical cells are categorized as electrochemically active Liquid Organic Hydrogen Carriers (EC-LOHCs) [2]. This concept allows facile handling of energy-dense liquids and low-temperature operation. The Isopropanol (IPA)-Acetone (ACE) couple is an EC-LOHC, wherein ACE can be electrochemically hydrogenated to IPA and then IPA converted back to ACE in a Proton Exchange Membrane (PEM) Direct Isopropanol Fuel Cell (DIFC). In a DIFC, the IPA oxidation is coupled with the Oxygen Reduction Reaction (ORR) to draw electric power [3].The established state-of-the-art polymer used in PEM electrochemical cells is Nafion, a brand name for a perfluorinated sulfonic acid (PFSA) polymer developed by Chemours. However, IPA and ACE liquid solutions compromise the integrity of Nafion-based Membrane electrode assemblies (MEAs) at concentrations as low as 2M [4] and an 8M 1:1 mixture of IPA and ACE completely dissolves Nafion [5]. The feasibility of DIFC is dictated by the interplay between ionic conductivity, physical and chemical stability of the PEM in the IPA-ACE mixture, and the crossover of IPA and ACE through the PEM.In this contribution, we critically analyze Nafion’s compatibility in DIFC application and show that while Nafion offers excellent ionic conductivity, it fails to maintain physical and chemical stability in IPA-ACE mixtures. Furthermore, the parasitic cross-over of IPA and ACE through the Nafion membrane negatively impacts the OCV of a DIFC and hinders the ORR at the cathode. This contribution proposes using the novel SFS-OPBI ionic cross-linked, in-house-developed polymer in a DIFC. The versatility of the novel polymer is in tailoring its composition to suit the specific concentration of the fuel used. We show that the extent of crosslinking directly correlates with the ionic conductivity, physical and chemical stability, and cross-over of IPA and ACE through the membrane. Owing to the strides made by tailored cross-linking, we show that the ionic crosslinked SFS-OPBI polymer outperforms Nafion at low catalyst loadings in a Direct Isopropanol Fuel Cell.References J. Reynolds, D. Ali, J. Njuguna and F. Amadhe, GEET, 3 (2024).J. Cho, B. Kim, S. Venkateshalu, D. Y. Chung, K. Lee and S.-I. Choi, J. Am. Chem. Soc., 145(31), 16951–16965 (2023).M. Brodt, K. Müller, J. Kerres, I. Katsounaros, K. Mayrhofer, P. Preuster, P. Wasserscheid and S. Thiele, Energy Technology, 9(9), 2100164 (2021).D. Cao and S. H. Bergens, J. Power Sources, 124(1), 12–17 (2003).S. Auffarth, W. Dafinger, J. Mehler, V. Ardizzon, P. Preuster, P. Wasserscheid, S. Thiele and J. Kerres, J. Mater. Chem. A, 10(33), 17208–17216 (2022).
- Research Article
1
- 10.1177/29767342251372314
- Oct 14, 2025
- Substance use & addiction journal
- Nina Abukahok + 1 more
Alkyl nitrites, commonly known as "poppers," have been widely used as recreational inhalants since the 1970s, particularly among men who have sex with men (MSM). Despite regulatory restrictions in the United States, poppers remain available under misleading product labels (eg, nail polish removers). Limited epidemiologic research has focused on trends in prevalence and correlates of poppers use, particularly among populations that include non-MSM individuals. We analyzed data from a repeated cross-sectional survey of adults entering electronic dance music events at nightclubs in New York City (NYC) between 2017 and 2024 (N = 3332). We estimated trends in past-year poppers use overall and stratified by demographic and drug use-related factors in the NYC nightclub-attending population, and we also delineated correlates of use. We estimated that past-year poppers use increased from 7.2% in 2017 to 18.1% in 2024 (a 151.4% increase; P < .001). Increases were estimated among both males and females (by 115.7% [P = .0013] and 199.4% [P = .003], respectively). While prevalence remained highest among gay males (46.3% in 2024), notable increases were estimated for heterosexual males (with an increase to 6.3% in 2024) and sexual minority females (increasing to 27.5% in 2024). Compared to heterosexual males, sexual minority males and females had higher prevalence of use, and those who used cocaine, ecstasy/MDMA, and/or ketamine also had higher prevalence of use (Ps < .05). While sexual minority males remain at highest risk for poppers use, prevalence is also increasing among traditional lower-risk groups, underscoring the need for expanded public health messaging and harm reduction strategies.
- Research Article
2
- 10.1002/adfm.202521205
- Oct 8, 2025
- Advanced Functional Materials
- Wenqi Zhao + 14 more
Abstract Intercalation of metal ions and organic molecules into vanadium‐based cathodes is recognized as an effective strategy to enhance the performance of zinc‐ion batteries. However, in many studies, the role of intercalated organic molecules has been oversimplified and attributed to structural modulation or improved Zn2+ transfer. The electrochemical characteristics of the organic molecules themselves are not sufficiently investigated. Herein, acetone (AC) molecules are employed as probes and co‐intercalated with Mn2+ into layered V2O5·nH2O to investigate their respective functions. Mn2+ form strong coordinative interactions, reinforcing the structural integrity of framework. Meanwhile, the polar groups of AC act as redox‐active sites for H+ intercalation. This balanced coordination environment enables a dynamic structural evolution during extended cycling, which self‐adaptively enhances the contribution of H+ rather than Zn2+. This self‐adaptive H+ intercalation allows the material to simultaneously maintain structural robustness and improve charge storage performance. Consequently, this cathode achieves a high specific capacity of 409 mAh g−1 at 0.1 A g−1, and under 5 A g−1 it increases to 379 mAh g−1 after 3000 cycles before settling at 279 mAh g−1 (126.8% retention) after 7400 cycles.
- Research Article
- 10.1002/qua.70106
- Sep 10, 2025
- International Journal of Quantum Chemistry
- Sheng Wu + 3 more
ABSTRACTPropylene oxide (PO) is a crucial chemical intermediate, but its conventional production methods come with several limitations. In contrast, the propylene gas phase epoxidation process has garnered significant interest due to its environmentally friendly approach, utilizing cost‐effective and readily available raw materials and producing water as the sole byproduct. This study employs density functional theory to systematically explore catalytic propylene epoxidation on the Ag(100) surface. By systematically examining the effect of varying oxygen coverages on the Ag(100) surface, the research determines the saturation oxygen coverage through successive oxygen atom adsorption. Furthermore, it assesses the propylene epoxidation reaction at different oxygen coverage levels on the same surface. During this process, two parallel reaction pathways are studied: α‐H‐stripping to produce acrolein and the formation of a metal‐epoxide intermediate (OMMP2) through epoxidation, which further produces PO and acetone (AC). For the primary competitive reaction, a lower oxygen coverage favors the first step of α‐H abstraction, while the opposite is true for the epoxidation process; for the secondary competitive reaction, increasing the oxygen coverage favors the formation of PO and AC. The findings reveal that oxygen exposure substantially affects the primary competitive response and also exerts a considerable influence on the secondary competitive process. The second α‐H abstraction to produce acrolein requires higher activation energy compared to the secondary competitive reaction producing PO, thus making PO more likely to be formed than acrolein as the oxygen coverage increases.
- Research Article
- 10.1007/s12678-025-00972-4
- Aug 1, 2025
- Electrocatalysis
- Mutshidzi Mphaphuli + 3 more
Abstract Herein, we present a selective and sensitive electrochemical sensor for detecting formaldehyde in cosmetics, based on cobalt ferrite nanoparticles (CoFe₂O₄ NPs) modified on a glassy carbon electrode (GCE). The CoFe2O4 NPs were synthesized using a green biosynthetic route and characterized using UV–Visible spectroscopy (UV–Vis), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDX). The electrochemical performance of the GCE-CoFe2O4 NPs sensor was evaluated using cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), differential pulse voltammetry (DPV), and chronoamperometry (CA). Compared with the bare GCE, the modified electrode exhibited a significantly greater oxidation peak current for formaldehyde. The sensor demonstrated a linear dynamic range with a regression coefficient (R 2) of 0.9193 and achieved limits of detection (LoD) and quantification (LoQ) of 0.056 mM and 0.184 mM, respectively, using DPV. Selectivity tests confirmed minimal interference from common substances such as ethanol and acetone at 10 mM concentrations. The sensor also exhibited excellent repeatability and reproducibility, with relative standard deviation (RSD) values of less than 5%. Practical applications of the sensor in detecting formaldehyde in nail polish remover yielded recovery rates ranging from 94 to 113%, demonstrating its reliability for real-world use. This study highlights the potential of green-synthesized CoFe2O4 NPs in the development of sustainable and efficient electrochemical sensors for monitoring harmful substances in consumer products. Graphical Abstract
- Research Article
2
- 10.1016/j.saa.2025.125996
- Jul 1, 2025
- Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
- Huihan Tian + 14 more
Ultrasensitive terahertz metasensor integrated with EIT-like coupling and liquid flow micro-channels for organic solvent detection and identification.
- Research Article
- 10.3390/pr13061866
- Jun 13, 2025
- Processes
- Sirichet Punthipayanon + 6 more
A green and mild chemical reaction of calcium citrate (CC) was successfully prepared from reactions between mussel shell waste and citric acid in the presence of acetone (AC), ethanol (Et), and isopropyl alcohol (IPA). All the synthesized CCs contained the same functional groups such as citrate (C6H5O73−), water (H2O), and calcium–oxygen (Ca–O). However, the differences in the spectra pointed out the differences in the crystal environment and structure of CCs. CC-AC and CC-IPA mainly crystallized in the monoclinic [Ca3(C6H5O7)2(H2O)2]·2H2O crystal system, whereas CC-Et mainly crystallized in the triclinic Ca3(C6H5O7)2∙(H2O)4 structure. The molecular alignments of triclinic CC-Et were different from monoclinic CC-AC and CC-IPA, resulting in differences in thermal behaviors. Two dehydration steps were observed for the monoclinic CC-AC and CC-IPA, whereas the triclinic CC-Et showed a single dehydration process. The TG mass losses further demonstrated that anhydrous Ca3(C6H5O7)2 phase, in addition to the Ca3(C6H5O7)2∙4H2O, was also observed for CC-AC and CC-IPA, whereas CC-Et contained a single Ca3(C6H5O7)2∙(H2O)4 phase. The morphologies of CC-AC and CC-IPA also differed from that of CC-Et. The differences in some properties of the synthesized CCs could be attributed to the change in the supersaturation state of the reaction solution. Due to the superior polarity, ethanol is more compatible with citric acid. The presence of ethanol could suppress the supersaturation rate of the reaction solution, causing the modulation of the precipitation mechanisms and reducing the particle growth rate of CC-Et, thereby explaining the difference in vibrational, structural, thermal, and morphological characteristics of CC-Et, compared to CC-AC and CC-IPA.
- Research Article
- 10.3390/chemistry7030096
- Jun 9, 2025
- Chemistry
- Yiru Chen + 6 more
Understanding the reactivity and the crystallinity of energetic materials in a solvent is significantly important for their synthesis, purification, and recrystallization. Here, the recrystallization of TNBFI (2,4,7,9-tetranitro-10H-benzofuro[3,2-b]indole), a primary explosive with good thermal stability, in different solvents was studied. Four TNBFI solvates, including TNBFI·AC (AC = acetone), TNBFI·2DMSO (DMSO = dimethyl sulfoxide), TNBFI·4DIO (DIO = 1,4-dioxane), and TNBFI·ACN (ACN = acetonitrile), were obtained. The crystal structures of the solvates were determined by single-crystal X-ray diffraction (SCXRD). The molecular packing and intermolecular interactions in the solvate structures were investigated, and their energetic properties were predicted. Among them, TNBFI·ACN showed good detonation performance with a detonation velocity of 6228 m·s−1 and detonation pressure of 16.23 GPa, which was comparable to TNT and with a potential application in both ammunition and industry. These results will be helpful in the synthesis and purification of TNBFI and valuable for the design of the solvate structure for other energetic materials.
- Research Article
- 10.1002/fsn3.70366
- May 27, 2025
- Food Science & Nutrition
- Rachel I Potter + 2 more
ABSTRACTIn white wines, early detection of oxidation would alert winemakers to monitor potentially troubled wine more closely and take preventative measures to mitigate undesirable browning, flavors, and odors in their products. Current early oxidation detection methods include assessment by browning index, trained sensory panels, and quantification of byproducts such as quinones. The objective of this study was to assess the capability of the e‐tongue, a fairly new instrument that has previously been used to detect wine faults caused by spoilage organisms, in detecting early oxidative changes in Chardonnay wine. Clear bottles of Chardonnay were stored partially opened (treatment) in the dark at 2.2°C for 24 weeks. Wines were assessed at seven time intervals (0, 1, 2, 4, 8, 16, and 24 weeks) using the e‐tongue and a semi‐trained sensory panel with rate‐all‐that‐apply descriptors. Beginning at week 8 of storage, the e‐tongue discrimination indices (DI) between control and treated wine (sealed wine stored alongside partially opened wine bottles) were high (DI > 80%) and remained high throughout the study, indicating that the e‐tongue distinguished between control and treated samples. However, sensory panelists detected an increase in the intensity of vinegar/nail polish remover aroma attributes, attributes associated with wine oxidation, after 16 weeks of storage. These results suggest that the e‐tongue is a useful tool in the early detection of oxidized wine samples as compared to a sensory panel that perceived differences between control and treated wines 8 weeks after differences were detected by the e‐tongue.
- Research Article
- 10.22146/jtbb.14097
- May 19, 2025
- Journal of Tropical Biodiversity and Biotechnology
- Marie Elvia Akong + 6 more
Cercospora malayensis induced leaf spot is a dangerous okra disease that reduces crop yields. The aim of this study is to use leaf extract from Crinum zeylanicum to regulate the growth of Cercospora malayensis in vitro. The pathogen was isolated from okra leaves from the Meyomessala and Akonolinga localities that had typical disease symptoms. Phytochemical screening and GC-MS analysis of C. zeylanicum leaf extracts were carried out. The mycelial growth and germination of C. malayensis isolates 1 and 2 were evaluated with concentrations of 15, 30, 60, and 120 μL mL-1, fungicide (3.33 g L-1), and control. Minimum inhibition concentrations (MIC50 and MIC90) were evaluated. The results showed the presence of alkaloids, phenols, terpenoids and sterols in the leaf extracts. In acetone (AcE), methanol (ME) and aqueous (AqE) extracts, 32; 39 and 10 chemical compounds, respectively were found by GC-MS analysis. The most prevalent biochemically active compounds were n-Hexadecanoic acid (35.04 %), Cis-Vaccenic acid (31.76 %), Quinoline-7-carboxylic acid, 2-phenyl-, methyl ester (26.63 %), 9,12-Octadecadienoic acid (Z,Z)- methyl ester (16.89 %) and 9,12-Octadecadienoic acid (Z,Z) (10.83 %). AqE, AcE and ME extracts at 120 μL mL-1 inhibited 100 % of mycelial growth and conidial germination of isolates 1 and 2 compared to the control. The lowest MICs (MIC50 and MIC90) were 6.79 and 10.98 μL mL-1 for isolate 1 and 7.48 and 11.22 μL mL-1 for isolate 2, respectively. C. zeylanicum it is possible to use extracts for their volatile biochemical substances in a C. malayensis control program.
- Research Article
2
- 10.1002/cplu.202500142
- May 14, 2025
- ChemPlusChem
- Yiheng Qi + 5 more
The low operating temperature limit of commercial supercapacitor electrolyte (-50 °C) could not satisfy the increasing extreme demands like polar resource exploitation (-60 °C) and near-space exploration (-70 °C). Although the introduction of cosolvents with low polarities could improve the viscosity and operating temperature range, the multisolvent electrolyte system still endures low conductivity and high desolvation energy as well as the high production cost. This work introduces the acetone (ACT) as monosolvent for low-temperature electrolyte, which shows the medium dielectric coefficient (ε = 20.9), low donor number (10.67), and ultralow melting point. These properties guarantee its strong ion-dissociation ability for rapid ion-transportation in the bulk electrolyte, and weakened ion-solvent interaction for speeding desolvation process, as well as the outstanding temperature range of liquid phase. The supercapacitor with ACT-based electrolyte exhibits superior capacitance retention ratio (86.5% from 20 to -70 °C), high cycling stability (97.75% after 13,000 cycles) and preeminent power density and energy density (3776 W kg-1 @ 14.16 W h kg-1). Besides, the ACT solvent also displays the merits of low biological toxicity and low production cost, which further enhance its application prospect in the energy storage systems.
- Research Article
1
- 10.3390/su17094221
- May 7, 2025
- Sustainability
- Jéssica R F Morais + 4 more
Efficient hydrolysis of cellulose in agricultural waste (e.g., coconut fiber) is critical for biorefining processes such as second-generation bioethanol (2G ethanol) production. However, free cellulases suffer from low thermal stability and challenges in recovery. To address this, we developed cross-linked enzyme aggregates (CLEAs) combined with magnetic nanoparticles (magnetic CLEAs, m-CLEAs) to enhance enzyme stability and reusability. In this context, solutions of ethanol, acetone, and ammonium sulfate were used to prepare enzymatic aggregates, with subsequent use of glutaraldehyde and magnetic nanoparticles to obtain the biocatalysts. The addition of bovine serum albumin (BSA) protein was also tested to improve immobilization. Biocatalysts with ethanol and acetone performed better. Acetone (AC) and BSA yielded the highest enzymatic activities (287.27 ± 42.59 U/g for carboxymethyl cellulase (CMCase) with Celluclast; 425.37 ± 48.11 U/g for CMCase with Cellic CTec2). Magnetic nanoparticles were incorporated to expand the industrial applicability, producing m-CLEAs with excellent thermal stability and high catalytic activities. The m-CLEA–Celluclast–AC–BSA–GA 5% maintained 58% of its activity after 72 h at 70 °C. The m-CLEA–Celluclast-AC–BSA–GA 2.5% proved effective in hydrolyzing coconut fiber and isolated cellulose, producing up to 0.91 ± 0.01 g/L of glucose and 2.7 ± 0.15 g/L of glucose, respectively, after 72 h. Therefore, this approach supports sustainability by using coconut fiber, which is often discarded into the environment.