Hydroxyl Research Articles

Evaluation of antioxidant and anti-inflammatory properties of Lacticaseibacillus rhamnosus Ram12-derived exopolysaccharide in a D-galactose-induced liver injury mouse model

We investigated the antioxidant and anti-inflammatory properties of Lacticaseibacillus rhamnosus Ram12-derived EPSRam12 in a D-galactose-induced liver injury mouse model. Initially, EPSRam12 was characterized for its composition, molecular weight, and structural features. It was then administered orally to D-galactose-induced mice (which had received an intraperitoneal injection of D-galactose, 100 mg/kg body weight) at doses of 25 mg/kg (low dose) and 50 mg/kg (high dose) for 45 days. After treatment, biochemical markers, antioxidant status, cytokine levels, and liver inflammatory gene expression were evaluated. The results showed that EPSRam12 was a branched chain heteropolysaccharide comprising mannose, rhamnose, and arabinose monosaccharides with molecular weight of 2.6 million Daltons. EPSRam12, with its unique structural features such as hydroxyl and methyl groups, glycosidic bonds, and functional groups like carboxylates and sulfates, demonstrated promising bioactive properties. Administering EPSRam12 to D-galactose-induced mice resulted in a significant increase in antioxidant enzyme activity and a reduction in oxidative stress indicators. Additionally, it exhibited anti-inflammatory effects by modulating cytokine levels, lowering pro-inflammatory markers, and inhibiting key inflammatory pathways in the liver in a dose-dependent manner. Our findings underscore the potential of EPSRam12 as an effective antioxidant and anti-inflammatory agent, with promising applications in functional foods and pharmaceuticals.

Alcohols as Alkyl Electrophiles for Deoxygenative Heck Reaction Enabled by Excited State Pd Catalysis.

Here, we present a general method for the photoinduced Pd-catalyzed deoxygenative Heck reaction of vinyl arenes with ortho-iodophenyl-thionocarbonate derived from alcohols. Mechanistic studies reveal that the deoxygenation involves a 5-endo-trig cyclization and fragmentation process, with radical addition identified as the rate-determining step in this transformation. This one-pot procedure demonstrates excellent selectivity for less hindered hydroxyl groups in diols, facilitating late-stage functionalization of complex molecules and scalability to gram-scale synthesis. The protocol highlights significant synthetic potential and can be extended to the cascade 1,1-difunctionalization of isocyanides and the intermolecular radical cascade cyclization of N-arylacrylamides.

Nanoporous Metatitanic acid on γ-Al2O3 aerogel for higher CO2 adsorption capacity and lower energy consumption

Carbon dioxide capture has become an important issue in reducing atmospheric heat these days. In this study, adsorption of carbon dioxide by aerogel Gamma Alumina-Metatitanic Acid has been investigated and optimized. Morphological and structural analyses such as BET, FESEM, FT-IR, and XRD have also been conducted. In addition, Response surface methodology has been applied in order to achieve the optimal conditions, using a five-level Central composite design. The highest amount of adsorption, 12.874 (mmol/g), was recorded at a temperature of 20 (°C), pressure of 7 (bar), and 25 (%wt) of Metatitanic Acid. This was approximately 11.46% and 4.84% higher than those of mesoporous MgO and 4Azeolite, respectively. Regeneration of the adsorbent was also studied at different temperatures and process durations. Metatitanic acid, as a catalyst, reduces the temperature and regeneration time of the adsorbent by creating active sites and surface hydroxyl groups. It also lowers the required activation energy and enhances the thermal conductivity of the composite material. The optimal result was achieved at a temperature of 100 (°C) and a duration of 30 (min). Finally, isothermal and thermodynamic experiments were conducted to establish the most accurate predictive model and conditions, including Enthalpy, Entropy, and Gibbs free energy. The results indicate that the Freundlich model aligned well with the laboratory findings. Additionally, the negative values of Enthalpy, Entropy, and Gibbs free energy suggested that the adsorption process was physical, exothermic, and spontaneous.

Density functional theory on the mechanism of NO reduction by hydroxyl groups during oxy-fuel combustion

To further clarify the influence mechanism of the hydroxyl group on NO heterogeneous reduction over char, this study demonstrates that the hydroxyl group affects the NO reduction over char through two different pathways based on density functional theory (DFT). For the first pathway, termed “Adsorption-only”, the hydroxyl group merely adsorbs onto the char surface as a surface functional group. Conversely, for the second pathway, termed “Modification”, the hydroxyl group engages in reactions with the char, inducing a redistribution of active sites on the char surface. Kinetics calculations reveal that the “Adsorption-only” pathway inhibits NO heterogeneous reduction over char, while the “Modification” pathway substantially enhances the reduction process. From the standpoint of the reaction pathway, the “Modification” mechanism shortens the reduction reaction pathway. Additionally, wave function analysis shows that this mechanism involves Coulomb attraction during bond formation and Coulomb repulsion during bond breaking, potentially lowering the energy barrier.

Ultra flexible silica aerogel with excellent mechanical properties for durable oil-water separation

Flexible Silica aerogel has a broad application prospect in the field of oil-water separation due to its low density and high porosity. However, its poor mechanical properties limit its application and it is a challenge to improve its mechanical properties while maintaining its excellent oil absorption capacity. In this work, we add silica sol to the silica source system formed by vinyltrimethoxysilane (VTMS) and vinylmethyl dimethoxysilane (VMDMS) to prepare silica sol-reinforced flexible silica aerogels by ambient pressure drying. The introduction of silica sol provides more -OH groups that can be used as condensation sites. The hydrolysis products of VTMS and VMDMS undergo dehydration condensation reaction with these exposed -OH groups and co-polymerize, resulting in a more robust three-dimensional porous structure. Silica sol- reinforced vinyl flexible silica aerogel is prepared with excellent mechanical properties. Its maximum strain can reach 80% in 10 compression-decompression cycles without destroying its structure. Its hydrophobic angle was 145.7 °. Most particularly, compared to conventional flexible aerogel,when the silica sol-reinforced vinyl flexible silica aerogel is used in oil-water separation applications, it does not need to be dried after absorbing oil but only mechanically squeezed to expel the absorbed organic solvent. It can be reused hundreds of times, which greatly improves the efficiency of oil-water separation.

In-situ formed stable Pt nanoclusters on ceria-zirconia solid solutions induced by hydrothermal aging for efficient low-temperature CO oxidation

Pt nanoclusters (PtC) on the surface of ceria-zirconia solid solutions exhibit superior low-temperature CO oxidation activity compared to Pt single atoms (Pt1). However, the redispersion behavior of the PtC to Pt1 lowers the efficiency of CO Oxidation. In this work, the stable surface hydroxyl groups were constructed by high-temperature hydrothermal aging treatment. Specifically, the Pt1 catalyst (Pt/CZOe-SA) prepared by atom trapping was subjected to high-temperature hydrothermal treatment to obtain the stable PtC catalyst (Pt/CZOe-HT) with in-situ formed PtC. The experimental results showed that PtC with 2–3 nm size could achieve excellent low-temperature activity and thermal stability. In addition, the ab initio molecular dynamics and density functional theory calculations revealed the specific evolution process of dynamic dispersion for PtC with or without hydroxyl groups from the femtosecond scale, suggesting that the hydroxyl groups limited the dispersion of PtC in the form of “energy fence”. The hydrothermal treatment not only introduced high-temperature stable hydroxyl groups to improve the stability of the in-situ formed PtC, but also optimized the ratio of Pt1 and PtC, and then enhanced the low-temperature activity by the synergistic effect between Pt1 and PtC. The present work can provide theoretical guidance for developing high-performance and high-stability Pt-based catalysts.

Constructing Ce–OH groups on CeO2 for enhancing removal and recovery of uranium from wastewater and seawater

Efficient recovery of uranium from wastewater and seawater provides an important guarantee for the sustainable growth of nuclear energy. Herein, we skillfully use the alkali etching method to construct CeO2 hollow spheres rich in Ce–OH groups for the removal and recovery of uranium from water matrixes. It is found that the CeO2 exhibits fast adsorption kinetics (equilibrium time within 10 min) and moderate adsorption capacity (143.1 mg/g), and the removal efficiency of low concentration uranium (0.1 g/L and 1 g/L) reaches 100% within 1 min of adsorption. Moreover, the adsorption of uranium by CeO2 is almost unaffected by common anions and cations in the environment, even if the concentration of anions is 1000 times that of uranium. More importantly, the CeO2 can enrich uranium concentration in seawater by 167.9 times and the recovery rate reaches 83.9%. Mechanistic studies reveal that the adsorption of uranium by CeO2 is mainly attributed to the rich Ce–OH groups on the surface of CeO2, resulting in the rapid adsorption of U(VI) and mainly forms a single-bridge model. The findings of this study provide a green and efficient path for the removal and recovery of uranium from wastewater and seawater.

The role of hydrogen bonding in the conformational stability of 2-methoxyresorcinol: Insights from theoretical calculations, SERS spectroscopy, and solvent effect

Resorcinol derivatives exhibit unique structural and electronic features. The presence of two hydroxyl groups, along with other substituents, can greatly impact these molecules’ conformational profile and vibrational characteristics. This work investigates molecular and electronic properties of 2-methoxyresorcinol (2-MR) by combining quantum-chemical and spectroscopic techniques. The molecule of 2-MR can exist in the syn, anti, and anti-syn configurations, depending on the orientation of the hydroxyl groups. The syn and anti-syn forms have been verified from DFT, MP2 and MP4 (SDQ) calculations and from infrared/Raman spectroscopy to be stabilized by intramolecular hydrogen bonding that takes place between the hydrogen atoms of the OH groups and the methoxy moiety’s oxygen atom. Such an interaction results in 6–7 kcal/mol more stable states than the corresponding anti-configuration, where only steric forces control the molecule stability. The effect of different solvents on the Raman features has also been accessed. Unlike other solutions, aqueous 2-MR facilitated a split in the OH stretching peak, which can be attributed to the pronounced solute–solvent intermolecular forces through the OH groups. Surface-enhanced Raman scattering (SERS) spectroscopic analysis of trace 2-MR utilizing as-synthesized silver nanoparticles shows a remarkable boost in the Raman signal intensities of several vibrational modes. The SERS detection exhibits a wide dynamic range and a detection limit of 1 × 10−8 M.

Surface engineering and concentration-dependent emission activated flexible tunable fluorescence from lignin-based N-doped carbon dots

Achieving the flexible and tunable fluorescence of lignin-based N-doped carbon dots (LCDs) remains a win–win yet challenging strategy. In this study, combining the surface engineering and concentration regulation strategy enabled the flexible adjustment of LCDs fluorescence emission from blue to yellow regions (345 to 560 nm). The surface electron-donor –OH groups not only enhanced the photoluminescence quantum yield (PLQY) to 14.75 % but activated the spectral shift of reduced LCDs (RLCDs). These arose from the reinforced π-electron conjugation and generated new –OH-related extrinsic defects with elevating concentration. Conversely, the electron-withdrawing CO groups participated in the blue-to-green fluorescence modulation. Still, they drastically reduced the PLQY of oxidized LCDs (OLCDs) to 2.13 %, due to the larger particle size and more non-radiative transfer induced by CO groups. Based on these, CDs/PVA films and printed fluorescent patterns with multicolor fluorescence were realized for anti-counterfeiting, and the RLCDs@Al2O3 hybrid facilitated the precise fluorescence fingerprint tracking and recognition. This study provided a facile strategy for enriching and developing novel LCDs with flexible fluorescence for their advanced applications.

Fast Production of Covalent Organic Frameworks for Covalent Enzyme Immobilization with Boosted Enzymatic Catalysis by Solar‐Driven Photothermal Effect

Developing new enzyme‐immobilization systems to stabilize their dynamic structures and meanwhile enhance their catalytic activity is of great significance but very challenging. Herein, we design and fabricate a class of robust mesoporous covalent organic frameworks (COFs) via Michael addition‐elimination reaction. It is found that highly crystalline COFs can be produced in 10 min, which is attributed to the promoting effect of the intramolecular hydrogen bond activation. The COFs rich in hydroxyl groups can be facilely post‐modified by epibromohydrin to covalently immobilize enzymes with both high loading and activity. Furthermore, we create a solar‐driven photothermal‐promoted strategy by introducing photoactive azo groups to COF carriers, which can boost the enzyme catalytic performance (lipase) with much higher conversion of various racemic substrates and chiral resolution upon solar light irradiation. The heterogeneous biocatalysts also demonstrate exceptional reusability and stability. This work provides a green and energy‐efficient approach to facilitate the scale application of enzyme‐immobilized biocatalysts.

Maleic anhydride esterified potato starch as the binder in silicon nanoparticles anode for lithium-ion batteries

Potato starch is a natural carbohydrate binder. Starch has hydroxyl groups that can promote interaction with silicon particles using multifaceted hydrogen bonds. Maleic anhydride esterified potato starch can produce a binder that maintains the cycle stability of lithium-ion batteries. Fourier-transform infrared spectroscopy spectra show wavelengths of 1776 cm−1 and 1855 cm−1. Thermal gravimetric analysis curves decreased in weight percent by 80 % at 286 °C. Carbon-13 nuclear magnetic resonance spectra show high peaks at 3.37 ppm, 3.65 ppm, 4.56 ppm, 5.09 ppm, and 6.22 ppm. Scanning electron microscope images show that the morphological change in esterified starch was due to the increased length of starch and the maleic anhydride grafted onto the starch granules. The cyclic voltammetry curve shows that the reduction peak is around 0.16 V, and the oxidation peak is around 0.38 V and 0.56 V. Nyquist plots show a small half circle, indicating that the electrode's solid-electrolyte interphase layer is low. The cycling performance shows a capacity of 1950 mAh/g.

CeO2 enhanced performance of NiFe2O4-CaO for carbon capture and in-situ hydrogenation conversion to CO

NiFe2O4 exhibits excellent redox properties and is widely applied in CaO-NiFe2O4 chemical looping processes. However, rapid sintering of Ni-Fe alloy under reaction conditions limited its industrial applications. The CeO2-NiFe-CaO were synthesized through a physical mixing method with NiFe2O4 as a precursor, and its CO2 capture capacity and in-situ hydrogenation performance were conducted on ICCC-RWGS reaction under different conditions. 20CeO2-NiFe-CaO exhibited a CO yielding of 9.35mmol/g at 650 °C. During the carbon capture stage, CO2 was adsorbed by CaO, leading to the formation of CaCO3. In the hydrogenation conversion stage, hydroxyl groups were generated on the surface, combining with CaCO3 to produce formate species, further generating H2O and CO. 15CNF-CaO exhibited superior cyclic ICCC-RWGS reaction performance compared to 15NF-CaO, with a CO yield of 1.88mmol/g after 40 cycles. CeO2 inhibited the sintering of catalytic components, preserving a higher specific surface area and smaller particle size. Furthermore, CeO2 in 15CNF-CaO inhibited carbon deposition and enhanced in-situ hydrogenation performance, exhibiting better CaO regeneration capability and better cyclic stability. These results could provide insight for designing the DFMs for the ICCC-RWGS process.

Enhanced pozzolanic reactivity in hydrogen-form zeolites as supplementary cementitious materials

Pozzolans rich in silica and alumina react with lime to form cementing compounds and are incorporated into portland cement as supplementary cementitious materials (SCMs). However, pozzolanic reactions progress slower than portland cement hydration, limiting their use in modern construction due to insufficient early-age strength. Hence, alternative SCMs that enable faster pozzolanic reactions are necessary including synthetic zeolites, which have high surface areas and compositional purity that indicate the possibility of rapid pozzolanic reactivity. Synthetic zeolites with varying cation composition (Na-zeolite, H-zeolite), SiO2/Al2O3 ratio, and framework type were evaluated for pozzolanic reactivity via Ca(OH)2 consumption using ion exchange and in-situ X-ray diffraction experiments. Na-zeolites exhibited limited exchange reactions with KOH and Ca(OH)2 due to the occupancy of acid sites by Na+ and hydroxyl groups. Meanwhile, H-zeolites readily adsorbed K+ and Ca2+ from a hydroxide solution by exchanging cations with H+ at Brønsted acid sites or cation adsorption at vacant acid sites. By adsorbing cations, the H-zeolite reduced the pH and increased Ca2+ solubility to promote pozzolanic reactions in a system where Ca(OH)2 dissolution/diffusion was a rate limiting factor. High H-zeolite reactivity resulted in 0.8 g of Ca(OH)2 consumed per 1 g of zeolites after 16 hours of reaction versus 0.4 g of Ca(OH)2 consumed per 1 g of Na-zeolite. The H-zeolite modulated the pore fluid alkalinity and created a low-density amorphous silicate phase via mechanisms analogous to two-step C-S-H nucleation experiments. Controlling these reaction mechanisms is key to developing next generation pozzolanic cementitious systems with comparable hydration rates to portland cement.

Starch-calcium inclusion complexes: Optimizing transparency, anti-fogging, and fluorescence in thermoplastic starch

With the increasing demand for anti-fogging transparent material and environmental concern, developing sustainable intrinsically hydrophilic and anti-fogging thermoplastic material is important. In this work, thermoplastic starch (TPS) films with good anti-fogging and optical properties were prepared via coordinative interactions with calcium chloride (CaCl2), zinc chloride (ZnCl2) and magnesium chloride (MgCl2). Among them, TPS with the incorporation of CaCl2 exhibited excellent anti-fogging and high optical transparency. Notably, the haze of TPS-0.2Ca just increased from 2.5 % to 3.8 %, with transparency remaining robust at 80 %. FTIR, XPS and 2D-WAXD results demonstrated the formation of inclusion complexes between Ca2+ and hydroxyl groups, which could modulate the hydrophobicity and hydrophilicity of TPS. Moreover, DMA, POM, and AFM results revealed that the formation of starch-calcium inclusion complex was crucial for achieving uniform intensity distribution, reduced crystalline areas, minimized light scattering, and decreased surface roughness, thereby contributing to the high transparency and low haze of TPS-Ca. Furthermore, TPS-Ca samples exhibited inherent fluorescent properties under UV light, showing the potential as disposable and eco-friendly fluorescence materials. This work provides new insights into design of sustainable TPS-based materials that combine robust antifogging performance with advanced optical property.

Fast Production of Covalent Organic Frameworks for Covalent Enzyme Immobilization with Boosted Enzymatic Catalysis by Solar‐Driven Photothermal Effect

Developing new enzyme‐immobilization systems to stabilize their dynamic structures and meanwhile enhance their catalytic activity is of great significance but very challenging. Herein, we design and fabricate a class of robust mesoporous covalent organic frameworks (COFs) via Michael addition‐elimination reaction. It is found that highly crystalline COFs can be produced in 10 min, which is attributed to the promoting effect of the intramolecular hydrogen bond activation. The COFs rich in hydroxyl groups can be facilely post‐modified by epibromohydrin to covalently immobilize enzymes with both high loading and activity. Furthermore, we create a solar‐driven photothermal‐promoted strategy by introducing photoactive azo groups to COF carriers, which can boost the enzyme catalytic performance (lipase) with much higher conversion of various racemic substrates and chiral resolution upon solar light irradiation. The heterogeneous biocatalysts also demonstrate exceptional reusability and stability. This work provides a green and energy‐efficient approach to facilitate the scale application of enzyme‐immobilized biocatalysts.

The selective flotation separation of apatite from dolomite using carrageenan as an innovative bio-based inhibitor

The direct flotation is highly effective in enhancing the quality of concentrate products and removing the content of magnesium for the beneficiation of middle and low grade phosphate ore. This study introduces carrageenan (CG) as an innovative dolomite inhibitor and assesses its effectiveness through micro-flotation tests with sodium oleate (NaOL) as a collector. At pH 10, the combination of 40 mg/L CG and 4 × 10−4 M NaOL successfully separated dolomite from apatite, the artificially mixed ore tests produced a concentrate assaying 32.23 % P2O5 with 76.44 % P2O5 recovery. Results demonstrate CG's strong inhibition of dolomite while minimally affecting apatite. The interaction mechanisms of CG with apatite and dolomite were investigated through various analyses including ICP-OES tests, zeta potential measurements, FTIR tests, contact angle measurements, XPS analysis, AFM tests, and ToF-SIMS analysis. Findings suggest that CG adsorbs strongly to dolomite surfaces by chemisorption between carboxyl groups and Ca sites, whereas it adsorbs weakly to apatite surfaces by hydrogen bonds between carboxyl and hydroxyl groups with F sites. Thus, CG shows promise as an innovative bio-based inhibitor for separating apatite from dolomite using direct flotation.

Effect of conditioners used for sludge dewatering on the adsorption performance of sludge-derived adsorbent

Converting waste activated sludge into adsorbent is a promising alternative for sludge valorization. While various conditioners are widely employed in sludge conditioning and dewatering processes, the influence of these conditioners on the properties of sludge derived adsorbents remains largely unexplored. Four conditioners, including FeCl3, CaO, polyacrylamide, FeSO4·7H2O/Na2S2O8, were used for sludge conditioning, and the sludge dewaterability and the adsorption performance of the resultant adsorbents were evaluated. The sludge dewaterability was markedly improved by the conditioners in a descending order as polyacrylamide, FeCl3, FeSO4·7H2O/Na2S2O8, and CaO. The type of conditioner highly influenced the adsorption ability of the sludge adsorbent: FeSO4·7H2O/Na2S2O8 enhanced the adsorption ability, while others deteriorated it. Infrared spectra, pore size distribution, and micromorphology analysis of the adsorbents suggest that: FeCl3 reduced mesopores through strong electrostatic interactions; CaO acted as a physical barrier for adsorption; polyacrylamide reduced the adsorbent surface area through hydrogen bond-driven bridging and potentially forming polymeric barrier; FeSO4·7H2O/Na2S2O8 disrupted the sludge flocs and exposed abundant adsorption sites, promoting the adsorbent performance markedly. FeSO4·7H2O/Na2S2O8 conditioning was thus beneficial to both sludge dewatering and adsorption. Adsorption of methylene blue by FeSO4·7H2O/Na2S2O8-conditioned sludge adsorbent was best described by the pseudo-second-order model and Langmuir model, indicating the dominance of monolayer chemisorption. The adsorption mainly occurred in the mesopores of the adsorbent, with hydroxyl group and carbonyl in carboxyl group as the main binding sites. Both film and pore diffusion contributed to the adsorption rate, with pore diffusion serving as the main rate limiting step. Results highlight the beneficial effect of destructive conditioning method on sludge adsorbent performance.

Technological quality improvement of gluten-free dough and chapatti-making by incorporation of modified oat 1,4-β-D-glucan

The present study aimed to explore the contribution of untreated (UtβG) and modified oat 1,4-β-D-glucan (OzβG) to the quality of gluten-free chapattis at varying concentrations (0, 1.5, 3, and 4.5 % labelled as M0, M1, M2 and M3 for maize chapattis and F0, F1, F2 and F3 for finger millet chapattis, respectively). The functionality of flours was significantly enhanced by the addition of UtβG and OzβG. However, OzβG incorporated flour exhibited a more pronounced influence on both functional and farinographic parameters when compared to flours with UtβG. Further, the hardness of the chapattis decreased with incorporation of OzβG and it was lowest for M2 and F2 i.e. 6.38 N and 5.27 N, respectively due to the formation of more carboxyl and hydroxyl groups, which had more affinity towards water molecules. The sensory analysis indicated that OzβG incorporated M2 and F2chapattis exhibited the highest overall acceptability. Hence, this study provides valuable insights into the utilization of UtβG and OzβG for the formulation of gluten-free chapattis with better dough characteristics and chapatti-making properties.

Hydroxyl functionalized hexagonal boron nitride quantum dots as nanozyme for pesticides sensing through dual colorimetric and fluorometric platform: A combined experimental and theoretical study

The Hydroxyl-functionalized hexagonal boron nitride quantum dots (h-BN QDs) were synthesized using a hydrothermal technique in a water medium, exhibiting stability in water for over 90 days. The present study demonstrates two simple fluorescence and colorimetric techniques for sensing organophosphorus (OP) and organochloride (OC) pesticides (atrazine, simazine and chlorpyrifos) in an aqueous medium using hydroxyl-functionalized h-BN QDs. The sensing capability of h-BN QDs for these pesticides was determined to be in the range of 5–10 µM using both techniques. The hydroxyl groups on the surface of the QDs enhanced dispersibility and enabled peroxidase-like catalytic activity in acidic conditions. The radical generation using hydroxyl-functionalized h-BN QDs in the presence of H2O2 upon 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt (ABTS) oxidation plays a significant role in the peroxidase reaction. The hydrogen bonding and π-π interactions between the pesticide molecules and ABTS can enhance the pesticide sensing performance. The limit of detection (LOD) using ABTS for atrazine, simazine, and chlorpyrifos was 6.11, 6.56, and 2.47 µM, respectively. Fluorescence sensing, based on a turn ON/OFF mechanism, demonstrated high specificity and sensitivity with LODs of 5.59, 6.45, and 8.08 µM for the same pesticides. The DFT studies revealed non-covalent bonding, such as hydrogen bonding, π-π interactions between the pesticides and the h-BN QDs, indicating binding affinities and stabilization energies of the complexes which can detect pesticides effectively. Atrazine exhibited higher binding affinity towards h-BN QDs, followed by simazine and chlorpyrifos. The h-BN QDs provide a new insight into bonding with pesticides, enhancing the peroxidase mimetic and fluorescence activity.

Tuning the atomic ordering of AFI framework with templates charge

In this work, AlPO4-5 (AFI) zeotype materials were synthesized using the microwave approach in the presence of two organic templates i.e. tripropylamine (R) and tetrapropylammonium (R+). The long- and short- range crystalline order of the samples were investigated by considering the effect of the template’s charge on the atomic-level ordering of the AFI framework. Using advanced NMR spectroscopy, we shed the light on the importance of templates’ role on the organization of the inorganic framework of aluminophosphates. The spectroscopic data clearly show a wider distribution of Al and P environments in the materials synthesized with the charged template (R+) due to the need of hydroxyl groups charge compensators that induce some bridges distortions. When a charged molecule (R+) was used, aluminum appears to be responsible for the charge compensation mechanism via the association of OH groups, impacting the environment of phosphorus as well. The hydroxyl groups needed for charge compensation in samples synthesized with R+ persist after calcination. Consequently, the hydrophilicity of the sample synthesized with R+ features approximatively two times higher values compared to the one synthesized with R.