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The synthesis of abundant well-separated nanoparticles by electrodeposition is difficult since the electroplated nanoparticles tend to aggregate in their overlapping lateral diffusion zones. As a result, the facile electrodeposition method is rarely employed to prepare catalysts especially those for ammonia borane (AB) hydrolysis. Herein, well-separated amorphous CoFeNiP nanoparticles with a mean size less than 100 nm are obtained on Cu foams using galvanostatic electrodeposition. Remarkably, the glass-to-crystal structural transformation is activated in CoFeNiP after the first cycle of catalytic AB hydrolysis, accompanied by the changes in their morphology from monolithic nanoparticles to flower-like nano-ribbons with a characteristic size of ∼20 nm. The as-activated CoFeNiP alloy catalysts exhibit an enhancement in their performance of catalytic dehydrogenation of AB hydrolysis with a high turnover frequency of 12.5 min−1 at 303 K and a low apparent activation energy of 23.4 kJ mol−1, achieving ultrahigh durability after 5 cycles. The results demonstrate transition-metal phosphides could be used as practical noble-metal free alloy catalysts for hydrolytic dehydrogenation of AB with low cost, high performance and excellent recyclability. • Amorphous CoFeNiP (CFNP) alloy nanoparticles are successfully synthesized on Cu foam by electrodeposition. • The glass-to-crystal structural transformation is activated in the nanoparticles after the first cycle of catalytic ammonia borane (AB) hydrolysis. • The activated flower-like CFNP nano-ribbons with a characteristic size of ∼20 nm have enhanced TOF and durability. • Nano-flower CFNP alloys are ideal catalysts for hydrolytic dehydrogenation of AB with high performance. [ABSTRACT FROM AUTHOR]

α-Glucosidase (α-Glu) is implicated in the progression and pathogenesis of type II diabetes (T2D). In this study, we developed a rapid colorimetric technique using platinum nanoparticles stabilized by chitosan (Ch-PtNPs) to detect α-Glu activity and its inhibitor. The Ch-PtNPs facilitate the conversion of 3,3′,5,5′-tetramethylbenzidine (TMB) into oxidized TMB (oxTMB) in the presence of dissolved O2. The catalytic hydrolysis of 2-O-α-d-glucopyranosyl-l-ascorbic acid (AA-2G) by α-Glu produces ascorbic acid (AA), which reduces oxTMB to TMB, leading to the fading of the blue color. However, the presence of α-Glu inhibitors (AGIs) hinders the generation of AA, allowing Ch-PtNPs to re-oxidize colorless TMB back to blue oxTMB. This unique phenomenon enables the colorimetric detection of α-Glu activity and AGIs. The linear range for α-Glu was found to be 0.1–1.0 U mL−1 and the detection limit was 0.026 U mL−1. Additionally, the half-maximal inhibition value (IC50) for acarbose, an α-Glu inhibitor, was calculated to be 0.4769 mM. Excitingly, this sensing platform successfully detected α-Glu activity in human serum samples and effectively screened AGIs. These promising findings highlight the potential application of the proposed strategy in clinical diabetes diagnosis and drug discovery. [ABSTRACT FROM AUTHOR]

The influence of temperature, as well as NaOH and NaBH4 concentrations on the rate of catalytic hydrolysis is investigated. Finely dispersed powders of platinum and ruthenium on a titanium oxide carrier were used as model catalysts. The activation energies in an aqueous and aqueous-alkaline solutions of NaBH4, equal to 60.5 and 53.2 kJ/mole for Pt/TiO2 and 62 and 64.65 kJ/mole for Ru/TiO2, respectively, were determined. It was found that with an increase in the concentration of NaOH, the rate of hydrogen generation with Ru/TiO2 decreases, and with Pt/TiO2 passes through a maximum in the range 0.5–2 M NaOH. It is shown that with traditional processing of kinetic data for determining the activation energy, its dependence on the sorption properties of the surface and the concentration of the solution is revealed. [ABSTRACT FROM AUTHOR]

In this study, graphene oxide supported platin, nickel and cobalt trimetallic nanoparticles (PtNiCo@GO) were prepared by the impregnation/reduction method. The catalytic performances of PtNiCo@GO catalysts prepared with different atomic ratios were investigated for hydrogen production and electro-oxidation of ammonia-borane (AB). For hydrolysis of ammonia-borane, Pt 0.8 Ni 0.1 Co 0.1 @GO catalyst exhibited higher catalytic activity than Pt 0.6 Ni 0.2 Co 0.2 @GO, Pt 0.4 Ni 0.3 Co 0.3 @GO, and Pt 0.2 Ni 0.4 Co 0.4 @GO. The hydrogen generation rate and turnover frequency values were found to be 540 mL min−1g−1 and 42.8 min−1, respectively, in the experiment conducted at 35 °C, 0.5 mmol AB, and 50 mg Pt 0.8 Ni 0.1 Co 0.1 @GO catalyst. The activation parameters (E a , ΔH # , and ΔS # ) in the catalytic hydrolysis of AB were obtained at 42.22 kJ/mol, 31.95 kJ/mol and −114.82 J/(mol × K), respectively. The effects of the PtNiCo@GO catalyst on AB electro-oxidation were made at a scanning rate of 100 mV/s in the potential range of - 1V/+1V against Ag/AgCl, and chronoamperometry measurements were made at constant potentials of - 0.2V, 0.1V and 0.4V. For cyclic voltammetry and chronoamperometry measurements, 5 mM [Fe(CN) 6 ]3/4 (1 M KCl) redox probe and 1 M NaOH + 50 mM AB solution were used. • GO-supported PtNiCo trimetallic NPs were prepared by easy and reproducible way. • PtNiCo NPs in the catalyst system have a mean size of 3.16 ± 0.24 nm. • TOF value of the catalyst is 38.57 min−1 for NH 3 BH 3 hydrolysis at 298 K. • GO-supported PtNiCo trimetallic NPs could be recycled for at least seven runs. • The Pt 0.8 Ni 0.1 Co 0.1 @GO catalyst has the best AB electro-oxidation activity. [ABSTRACT FROM AUTHOR]

Herein, we have designed a cost-effective cobalt-boron-fluoride decorated graphitic carbon nitride (g-C 3 N 4 @Co–B–F) catalyst with a facile reduction method, which exhibits high catalytic activity and reusability in hydrogen (H 2) production via sodium borohydride (NaBH 4) hydrolysis process. The textural, structural and morphological characteristics of the fabricated catalysts were confirmed by XRD, FTIR, BET, SEM, EDX, TEM, and XPS characterization methods. Among the catalysts studied, the most efficient g-C 3 N 4 @Co–B–F catalyst exhibited remarkable catalytic activity with H 2 production rate (H 2 PR) of 12813 mL H2 min−1 g cat −1 and turnover frequency (TOF) of 1439 h−1 at 30 °C. The kinetics of H 2 production via NaBH 4 hydrolysis was elucidated employing the nth-order and Langmuir-Hinshelwood models. The activation energy (Ea) values calculated by fitting the nth-order and Langmuir-Hinshelwood kinetic models were found to be 26.32 kJ mol−1 and 27.29 kJ mol−1, respectively. The g-C 3 N 4 @Co–B–F catalyst continued to exhibit catalytic activity after five consecutive cycles, the H 2 PR value decreased from 12813 to 4394 mL H2 min−1 g cat −1 and the TOF value decreased from 1439 to 482 h−1, indicating structural and regenerative ability. Characterization analyses including SEM images, TEM images, EDX analysis and FTIR spectra of the g-C 3 N 4 @Co–B–F catalyst after five reuse cycles provided significant findings for the decrease in H 2 PR and TOF values. Th results position the g-C 3 N4@Co–B–F catalyst as a promising candidate for the further development of H 2 production technologies. The study also highlights the potential of the g-C 3 N 4 @Co–B–F catalyst for H 2 production, demonstrating its ability to provide sustainable solutions for various industrial and energy applications. • A novel g-C 3 N 4 @Co–B–F catalyst was fabricated and employed for H 2 production via NaBH 4 hydrolysis process. • g-C 3 N 4 @Co–B–F exhibited remarkable catalytic activity with H 2 PR of 12813 mL H2 min−1 g cat −1 and TOF of 1439 h−1 at 30 °C. • A detailed kinetic study was performed for the H 2 production via NaBH 4 hydrolysis catalyzed by g-C 3 N 4 @Co–B–F. • Ea values of 26.32 kJ mol−1 and 27.29 kJ mol−1 were found for nth-order and Langmuir-Hinshelwood kinetic models. • 100% H 2 conversion was achieved after each consecutive cycles with g-C 3 N 4 @Co–B–F. [ABSTRACT FROM AUTHOR]

Ammonia borane (AB, NH3BH3) is a promising candidate for a hydrogen-storage material because of its high stability as a solid state at room temperature under atmospheric pressure. This study demonstrated a novel catalyst design for highly efficient hydrolysis of AB by hybridizing Pt catalyst with hydroxyapatite (HAp, Ca10(PO4)6(OH)2) as an "active support", possessing Lewis-acidic Ca2+ sites in the a-plane and Lewis-basic PO43- sites in the c-plane. Facet-engineered HAp particles were synthesized via the microwave-assisted hydrothermal reaction using Ca-EDTA chelates. Varying the Ca/P ratio of HAp precursor (from 1.5 to 1.8) affected the particle morphology, exposed facet ratio of {300} to {002}, and the percentage of phosphate anion species (PO43- and HPO42-). The rod-like HAp sole catalysts performed approximately 2-fold higher activity for the hydrolysis of AB, compared with spherical HAp with low crystallinity. Moreover, the Pt/rod-like HAp co-catalyst demonstrated superior catalytic performance with a turnover frequency (TOF) of 623 molH2 molPt-1 min-1 than the Pt/spherical HAp (<232 molH2 molPt-1 min-1). We proposed a possible mechanism of a synergistic effect in the significant enhancement of the hydrogen release rate from AB. Lewis basic PO43- and Lewis acidic Ca2+ sites on HAp would affect preferential adsorption of electron-deficient BH3 and electron-rich NH3 groups in AB, catalyzing cleavage of B-N bonds. Besides, PO43- sites play a critical role in anchoring Pt particles towards electron transfer from Pt to PO43-, resulting in considerable enhancement of catalytic performance in dissociative adsorption of water molecules, which is a rate-determining step in the hydrolysis. [ABSTRACT FROM AUTHOR]

The current study describes the fabrication of nano-catalyst by embedding the magnetic nanoparticles as a core in silica shell to obtain the structure of Fe3O4@SiO2 and then functionalized with sulfonyl groups. The intrinsic properties of nano-catalysts were scrutinized for morphological, crystal structure, elemental and chemical bonding analysis using SEM, XRD, EDS and FT-IR, respectively. The acid density and saturation magnetization were observed to be 0.20 mmol g−1 and 56 emu g−1, respectively. In this study, banana peel waste was pre-treated and hydrolyzed into total reducing the sugar by sulfonated silica magnetic catalyst. A single-factor optimization method has also been used to investigate the influence of catalyst/solid quantity, reaction temperature and time on reducing sugar. The optimum sugar-reducing yield of about 73% was achieved with 0.3% (w/v) of catalyst loading at 140 °C for 2 h. In addition, the spent sulfonated silica catalyst was regenerated and reused up to 3 times. The fermentation by Saccharomyces cerevisiae was conducted with banana peel hydrolysate, and fermentation efficiency reached 83% after 48 h. [ABSTRACT FROM AUTHOR]

The performance of nickel and platinum bimetallic nanoparticles (NPs) supported on potassium niobate (KNbO3) is evaluated in the catalytic hydrolysis of sodium borohydride (NaBH4) to generate hydrogen (H2). KNbO3 was synthesized via a hydrothermal route using Nb2O5 and KOH as precursors. X-ray diffraction (XRD) confirmed the crystalline orthorhombic structure of KNbO3. The Ni/Pt NPs, with an average size of 4.66 nm and a spherical morphology, were uniformly dispersed on the surface of KNbO3 nanosheets. The N2 physisorption isotherms of KNbO3 and Ni/Pt NPs were classified as type V with H3 hysteresis, showing specific surface areas of 0.170 and 2.87 m2 g−1, respectively. Catalytic performance studies examined various Ni/Pt molar ratios, with the 1:3 ratio (mol/mol) demonstrating the highest efficiency. Kinetic analysis of NaBH4 hydrolysis showed that the data fit the pseudo-first-order model. An increase in temperature enhanced the hydrogen generation rate (HGR), reaching 2068.3 mL gcat−1 min−1 at 315.05 K. The apparent activation energy (Ea) was determined to be 29.9 kJ mol−1. Durability assays showed only an 11% decrease in activity after 11 catalytic cycles. Thus, a promising, easy-to-synthesize, and environmentally friendly catalyst for NaBH4 hydrolysis has been developed. [ABSTRACT FROM AUTHOR]

In this study, we report that pectin‐supported ruthenium nanoparticles (pectin@Ru0) can be easily prepared at room temperature by a simple and effective method and that they exhibit outstanding catalytic activity in the hydrolysis of sodium borohydride (NaBH4). The structure, oxidation state, morphology, and thermal studies were analyzed using XRD, XPS, SEM, TEM and TGA analysis. The kinetic performance of pectin@Ru0 biocatalyst was evaluated depending on ruthenium loading, NaBH4 concentration, NaOH concentration, temperature, reusability and storage. The pectin@Ru0 biocatalyst containing 2 wt.% Ru0 metal catalyzed the hydrolysis of 50 mM NaBH4+1 wt.% NaOH with 100 % yield. The activation energy (Ea) and the TOF values of the reaction was estimated as 54.7 kJ mol−1 and 53.1 mol H2 (mol Ru0 min) −1 at 30 °C and this is consistent with other previously reported catalysts, making it a remarkable result in comparison. Reusability and catalytic life studies reported that pectin@Ru0 biocatalyst is also highly active and relatively long‐lived catalyst in the hydrolysis of NaBH4 in a slightly basic solution. [ABSTRACT FROM AUTHOR]

Sir2-HerA is a widely distributed antiphage system composed of a RecA-like ATPase (HerA) and an effector with potential NADase activity (Sir2). Sir2-HerA is believed to provide defense against phage infection in Sir2-dependent NAD+ depletion to arrest the growth of infected cells. However, the detailed mechanism underlying its antiphage activity remains largely unknown. Here, we report functional investigations of Sir2-HerA from Staphylococcus aureus (SaSir2-HerA), unveiling that the NADase function of SaSir2 can be allosterically activated by the binding of SaHerA, which then assembles into a supramolecular complex with NADase activity. By combining the cryo-EM structure of SaSir2-HerA in complex with the NAD+ cleavage product, it is surprisingly observed that Sir2 protomers that interact with HerA are in the activated state, which is due to the opening of the α15-helix covering the active site, allowing NAD+ to access the catalytic pocket for hydrolysis. In brief, our study provides a comprehensive view of an allosteric activation mechanism for Sir2 NADase activity in the Sir2-HerA immune system. Deletion of cellular NAD+ via Sir2-depentent NADase provides immunity against phage infection in the Sir2-HerA immune system. Here the authors reveal supramolecular assembly for the allosteric activation on Sir2 NADase function in the Sir2-HerA antiphage system. [ABSTRACT FROM AUTHOR]

Xylanase is a natural and high-efficiency catalyst for the degradation of xylan to reducing sugar. However, the catalytic performance of xylanase is greatly limited by its poor activity and stability under harsh conditions. To overcome this issue, covalent immobilization of xylanase on a magnetic porous MOF material with a core–shell structure, UIO-66-NH2 carrier, was conducted to improve the catalytic activity and stability of xylanase. Several tools were employed to monitor the preparation and immobilization processes, magnetic properties, and structural/chemical characteristics of the biocatalyst. It was found that 77.9% of the activity of xylanase was retained after immobilization. Moreover, the thermal stability in terms of half-life of the immobilized enzyme was three times higher than that of the free form; the immobilized enzyme also showed higher catalytic efficiency for hydrolysis of xylan. Furthermore, stable activity at higher temperatures and a wider pH range was achieved for the immobilized xylanase compared with the free catalyst. Notably, the biocatalyst exhibited both excellent storage stability and could be easily separated using a magnet, which is conducive to its reusability. Moreover, nearly 70% of its initial activity was retained after seven recycles for the hydrolysis of corn straw. These features indicate that the present immobilization method is promising for the industrial application of enzymes. [ABSTRACT FROM AUTHOR]

Development of heterogeneous catalyst is significant key for achieving high performance of NaBH 4 hydrolysis to produce hydrogen. The stability of sodium borohydride in the presence of suitable catalyst is the efficient method to generate hydrogen. In this work, styrene-imid PIILP, polymer 1 decorated styrene, imidazolium ionic liquid, and cross-coupling is successfully synthesised by AIBN initiated radical polymerisation, then precipitation with 3,3′,3″phosphinetriyltribenzene sulfonate with ratio (1:0.3) to isolate the first styrene-imid- sulphonated PIILP, polymer 2. RuNP@styrene-imid-sulphonated PIILP, RuNPs catalyst 3 was synthesised by impregnation with RuCl 3 , then reduction by NaBH 4. Moreover, several analytical techniques such as, 31P, 1H, 13C solid-state NMR, CHN, IR, XPS, TEM, TGA-DTA, and SEM were examined to explore the obtained catalyst 3. The hydrogen generation from NaBH 4 utilizing catalyst 3 was exhibited the catalytic behaviour studying several parameters such as, temperature, catalytic loading, and NaBH 4 concentrations this work was deducted the activation energy (30.32 kJmol-1), and the turnover frequency (TOF) reached up 134.9, 112.77, and 98.38 moleH 2.mol cat −1.min−1 at 40, 35 and 30 °C. The effectiveness of Ruthenium nanoparticle catalyst 3 for the hydrolysis reaction of NaBH 4 was examined in H 2 O and D 2 O resulting kinetic isotope effect (KIE) k H /k D = 3. In addition, RuNPs demonstrated a promising efficient for reuse catalyst 3 after five cycles for the catalytic hydrolysis. [Display omitted] • RuNPs was synthesised and characterised by 31P and 13C Solid-State NMR, CHN, XPS, TEM, SEM, TGA and FT-IR. • A TOF 134.9 mole H2.mol cat −1.min−1 for RuNPs@styrene-imid-sulphonated PIILP was achieved. • E a of 30.32 for RuNPs@styrene-imid-sulphonated PIILP were achieved. • RuNPs demonstrated a promising efficiency for reuse RuNPs after five cycles for the catalytic hydrolysis. [ABSTRACT FROM AUTHOR]

Organophosphate neuroactive agents represent severe security threats in various scenarios, including military conflicts, terrorist activities and industrial accidents. Addressing these threats necessitates effective protective measures, with a focus on decontamination strategies. Adsorbents such as bentonite have been explored as a preliminary method for chemical warfare agent immobilization, albeit lacking chemical destruction capabilities. Chemical decontamination, on the other hand, involves converting these agents into non-toxic or less toxic forms. In this study, we investigated the hydrolytic activity of a Cu(II) complex, previously studied for phosphate ester hydrolysis, as a potential agent for chemical warfare decontamination. Specifically, we focused on a ligand featuring a thiophene anchor bound through an aliphatic spacer, which exhibited high hydrolytic activity in its Cu(II) complex form in our previous studies. Paraoxon, an efficient insecticide, was selected as a model substrate for hydrolytic studies due to its structural resemblance to specific chemical warfare agents and due to the presence of a chromogenic 4-nitrophenolate moiety. Our findings clearly show the hydrolytic activity of the studied Cu(II) complexes. Additionally, we demonstrate the immobilization of the studied complex onto a solid substrate of Amberlite XAD4 via copolymerization of its thiophene side group with dithiophene. The hydrolytic activity of the resultant material towards paraoxon was studied, indicating its potential utilization in organophosphate neuroactive agent decontamination under mild conditions and the key importance of surface adsorption of paraoxon on the polymer surface. [ABSTRACT FROM AUTHOR]

Platinum and ruthenium nanoparticles stabilised by an amine modified polymer immobilised ionic liquid (MNP@NH2-PEGPIILS, M = Pt, Ru) catalyse the hydrolytic liberation of hydrogen from dimethylamine borane (DMAB), ammonia borane (AB) and NaBH4 under mild conditions. While RuNP@NH2-PEGPIILS and PtNP@NH2-PEGPIILS catalyse the hydrolytic evolution of hydrogen from NaBH4 with comparable initial TOFs of 6,250 molesH2.molcat−1.h−1 and 5,900 molesH2.molcat−1.h−1, respectively, based on the total metal content, RuNP@NH2-PEGPIILS is a markedly more efficient catalyst for the dehydrogenation of DMAB and AB than its platinum counterpart, as RuNP@NH2-PEGPIILS gave initial TOFs of 8,300 molesH2.molcat−1.h−1 and 21,200 molesH2.molcat−1.h−1, respectively, compared with 3,050 molesH2.molcat−1.h−1 and 8,500 molesH2.molcat−1.h−1, respectively, for PtNP@NH2-PEGPIILS. Gratifyingly, for each substrate tested RuNP@NH2-PEGPIILS and PtNP@NH2-PEGPIILS were markedly more active than commercial 5wt % Ru/C and 5wt% Pt/C, respectively. The apparent activation energies of 55.7 kJ mol−1 and 27.9 kJ mol−1 for the catalytic hydrolysis of DMAB and AB, respectively, with RuNP@NH2-PEGPIILS are significantly lower than the respective activation energies of 74.6 kJ mol−1 and 35.7 kJ mol−1 for its platinum counterpart, commensurate with the markedly higher initial rates obtained with the RuNPs. In comparison, the apparent activation energies of 44.1 kJ mol−1 and 46.5 kJ mol−1, for the hydrolysis NaBH4 reflect the similar initial TOFs obtained for both catalysts. The difference in apparent activation energies for the hydrolysis of DMAB compared with AB also reflect the higher rates of hydrolysis for the latter. Stability and reuse studies revealed that RuNP@NH2-PEGPIILS recycled efficiently as high conversions for the hydrolysis of DMAB were maintained across five runs with the catalyst retaining 97% of its activity. [ABSTRACT FROM AUTHOR]

This study is a pioneering study that experimentally and theoretically measures the effect of heterogeneous catalyst structure on hydrogen production. In this research, the catalytic activity of the (CQD/GO@Co) catalyst, which was formed by doping Co onto the synthesized graphene oxide (GO) on carbon quantum dots (CQD) obtained from caffeine by green synthesis, was investigated. The catalyst CQD/GO@Co was synthesized with high dispersibility and activity, and it was successfully employed in the hydrolysis of NaBH 4 for the first time. The effective catalytic compatibility of caffeine and cobalt element increased approximately 3 times on the GO layer. In order to determine the most effective catalyst conditions in the study, NaOH concentration, catalyst amount, NaBH 4 amount and temperature were tested under different reactant conditions. The catalyst was characterized using X-Ray Diffraction (XRD), Transmission Electron Microscopy (TEM), Brunauer-Emmett-Teller (BET) analyses. Field emission scanning electron micrographs (FESEM) were taken by Field emission scanning electron microscope (Zeiss, Sigma). Energy dispersive X-ray (EDX) spectra were obtained from Energy dispersive X-ray spectroscope. According to spherical aberration transmission electron microscopy studies, the uniform dispersion of Co nanoparticles (average diameter: ±3,1 nm) on CQDs, as well as the very small size and good dispersion of Cobalt (Co), are conducive to improved catalytic performance. This situation was determined by molecular modeling with the Non-scc GFN1xTB model and results supporting the experimental data were obtained. The maximum hydrogen production rate with sodium borohydride hydrolysis using cobalt-based catalyst increased approximately 32 times (from metallic crystal form of Co catalyst 2860 mL/min.(g.cat) to the present form 49,044 mL/min.(g.cat). The activation energy, activation enthalpy, and activation entropy of the Co@CQDs catalyst were founded to be 20.65 kJ mol−1, 2.64 kJ mol−1, and -108,97 J mol−1, respectively. • The study highlights the importance of the orientation of caffeine with the cobalt metal ion as a catalysis. • As the amount of sodium element with large van der Waals radius increases, positive blocks forms in solution. • Hydrolysis increases the interactions with high electrical dipole moments that occur with high vibration frequencies. [ABSTRACT FROM AUTHOR]

The niobium-based nanocomposite (Nb-CP), inspired by MOF-based synthesis, was developed utilizing the ligands 4-benzenedicarboxylic acid (BDC) and 1,3,5-benzenetricarboxylic acid (BTC). This material was decorated with bimetallic nanoparticles (Ni 2 /Pt 8 NPs-Nb-CP) and applied for the first time for hydrogen evolution from sodium borohydride (NaBH 4). Characterization results indicated successful synthesis. The FT-IR analysis revealed the presence of functional groups such as -C-H, –C O, and -O-H from ligands in the composite. Thermogravimetric analysis confirmed the thermal stability of the niobium composite (Nb-CP). Through X-ray diffraction (XRD), peaks associated with sodium niobate were detected. Additionally, the material was functionalized with bimetallic Ni/Pt nanoparticles, whose presence was also identified by XRD. The cubic morphology of the material was observed, with the decoration of bimetallic nanoparticles (Ni 2 /Pt 8 NPs-Nb-CP) with an average size of 7.80 ± 0.10 nm, uniformly distributed in Nb-CP. The catalytic performance of the material was evaluated in hydrogen evolution from NaBH 4. Various reaction parameters were investigated, such as nanoparticle composition, variation in NaBH 4 concentration, catalyst dose, NaOH concentration, and temperature. Remarkably, the material exhibited a hydrogen generation rate (HGR) of 1782 mL min−1 g−1 cat and an activation energy of 23.1 kJ mol−1. Furthermore, it demonstrated efficiency close to 100% over 16 consecutive reaction cycles, indicating its promising stability and reusability. This study highlights the potential of Ni 2 /Pt 8 NPs-Nb-CP as an efficient and durable catalyst for hydrogen production through borohydride hydrolysis, providing insights into the design and application of advanced heterogeneous catalytic materials. [Display omitted] • Ni/Pt nanoparticles were decorated in a novel niobium-based composite. • The material synthesis was inspired by Metal Organic Framework (MOF) synthesis. • The material was employed in NaBH 4 hydrolysis, yielding an HGR of 1782 mL min−1 g−1 cat. • H 2 evolution exhibits an activation energy of 23.1 kJ mol−1. • The material was reused in up to 16 cycles. [ABSTRACT FROM AUTHOR]

Cupric ions (Cu2+), pyrophosphate (PPi), and alkaline phosphatase (ALP) are involved in a variety of biochemical processes such as DNA replication, cellular metabolism and play an important role in human growth and development. It is of great significance to establish a method for the sensitive detection of Cu2+, PPi and ALP. In this work, polyethyleneimine-capped silver nanoclusters (PEI-AgNCs) were successfully synthesized by a one-pot method using hydrazine sulfate as reductant, exhibiting a unique strong fluorescence emission in the near-ultraviolet region at ∼339 nm. Since the fluorescence of PEI-AgNCs can be quenched by Cu2+ through inner filtering effect (IFE), then recovered by competitive binding of pyrophosphate and Cu2+, and later weakened again by catalytic hydrolysis of alkaline phosphatase, a sensitive and selective strategy based on the changes of fluorescence "ON" or "OFF" was established to detect Cu2+, PPi and ALP. The LODs of these three analytes were 36 nM, 0.2 μM, and 0.14 U L−1 at a S/N ratio of 3, respectively. A series of logic gate circuits for sensing cupric ions, pyrophosphate, and alkaline phosphatase were successfully constructed. The established methods have the potential for biosensing and environmental analysis and the specific UV-A fluorescence property of PEI-AgNCs may be helpful in photonic and optical areas. [ABSTRACT FROM AUTHOR]

The production of high-purity hydrogen from hydrogen storage materials with further direct use of generated hydrogen in fuel cells is still a relevant research field. For this purpose, nickel-molybdenum-plated copper catalysts (NiMo/Cu), comprising between 1 and 20 wt.% molybdenum, as catalytic materials for hydrogen generation, were prepared using a low-cost, straightforward electroless metal deposition method by using citrate plating baths containing Ni2+–Mo6+ ions as a metal source and morpholine borane as a reducing agent. The catalytic activity of the prepared NiMo/Cu catalysts toward alkaline sodium borohydride (NaBH4) hydrolysis increased with the increase in the content of molybdenum present in the catalysts. The hydrogen generation rate of 6.48 L min−1 gcat−1 was achieved by employing NiMo/Cu comprising 20 wt.% at a temperature of 343 K and a calculated activation energy of 60.49 kJ mol−1 with remarkable stability, retaining 94% of its initial catalytic activity for NaBH4 hydrolysis following the completion of the fifth cycle. The synergetic effect between nickel and molybdenum, in addition to the formation of solid-state solutions between metals, promoted the hydrogen generation reaction. [ABSTRACT FROM AUTHOR]

[Display omitted] • MoAl 1-x B MBene is demonstrated to be a robust support for loading Ru nanoparticles. • Ru/MoAl 1-x B achieves the superior catalytic performance towards hydrogen generation. • Mechanism of AB hydrolysis over Ru/MoAl 1-x B is systematically investigated. • This is a first example to demonstrate MBene for boosting AB hydrolysis. The coordination between carrier and active metal is critical to the catalytic efficiency of ammonia borane (AB) hydrolysis reaction. In the present study, we report a new type of catalytic support based on molybdenum boride (MBene) MoAl 1-x B and demonstrate that the effective combination of MoAl 1-x B with Ru nanoparticles can realize the significantly enhanced performance for hydrogen generation. Owing to the efficient activation and dissociation of reactants, the optimal Ru/MoAl 1-x B catalyst achieves the large turnover frequency of 494 mol H2 mol Ru -1 min−1, high hydrogen generation rate of 119817 mL min−1 g Ru -1 and favorable apparent activation energy of 39.2 kJ mol−1 for the catalytic hydrolysis of AB under alkaline-free condition. The isotopic test suggests the cleavage of O H bond in H 2 O is the rate-determining step for hydrolysis reaction, while the fracture of B–H bond in AB is also well revealed by attenuated total reflectance (ATR)-Fourier transform infrared (FTIR) spectroscopy. Significantly, the flexible on-demand hydrogen generation is achieved by using chemical switches for on–off AB hydrolysis. This study provides a new support platform based on two-dimensional MBene to exploit efficient catalysts to boost AB dehydrogenation. [ABSTRACT FROM AUTHOR]

Enhancing the hydrolysis reaction of NaBH 4 for efficient hydrogen production requires the development of effective catalysts. In this study, the solution particles used for nanoparticles synthesized using the ultrasonic spray (US) method were produced for the first time in N 2 at room temperature in the gas and liquid intermediate phases. It also brings a new approach to synthesizing low-cost and efficient catalysts using ultrasonic spray technology. The proposed method involves US the CoCl 2 solution into the NaBH 4 solution to reduce cobalt, producing catalysts for hydrogenation. This innovative approach pioneers a gas-liquid interface reaction for metal reduction. The resulting catalysts were characterized using SEM, XRD, XPS, TEM, BET and FT-IR analysis. The influence of NaOH/NaBH 4 concentration, solution temperature, and catalyst amount on hydrogen production rate was investigated, and kinetic parameters were analyzed to understand the reaction kinetics better. The hydrogen production rates of US-Co and reduction method (RM) Co catalysts under the same conditions were calculated as 3995 ml H2 /min.g cat and 1245 ml H2 /min.g cat , respectively. The activation energy values calculated for the NaBH 4 hydrolysis of the US-Co catalyst using the nth-order and Langmuir-Hinshelwood kinetic models are 46.75 kJ/mol and 46.87 kJ/mol, respectively. Therefore, it can be concluded that the Langmuir-Hinshelwood kinetic model is consistent with the nth-order kinetic model. Experimental results showed that the ultrasonic spray method is very effective in producing active metal catalysts, offering promising opportunities for catalytic advances. [Display omitted] • A novel method of ultrasonic spray was improved for Co NPs pioneering a gas and liquid interface reaction. • The US-Co is highly active for NaBH 4 with an H 2 production rate of 3995 ml H2 /min.g cat at 30 °C. • The activation energy was calculated to be 46.75 kJ/mol with US-Co NPs. [ABSTRACT FROM AUTHOR]

NiO nanoparticles were synthesized from pine cone extract by green synthesis method, which is a simple, cost-effective, environmentally friendly and sustainable method. The particle size of NiO nanoparticles was determined to be in the range of 10–25 nm by X-diffraction differential and transmission electron microscope analysis, and the bandgap energy of NiO nanoparticles was determined to be 2.66 eV. The catalytic effect of NiO nanoparticles in both microwave-assisted sodium borohydride hydrolysis and photocatalytic reduction of methylene blue was examined and it was determined that they had a high catalytic effect in both applications. It was determined that the hydrogen production rate in sodium borohydride hydrolysis was 1135 mL/g/min. The activation energy of sodium borohydride hydrolysis is 29.69 kJ/mol and 29.59 kJ/mol for the nth-order and Langmuir Hinshelwood kinetic models, respectively. In the photocatalytic reduction of methylene blue with NaBH4, it was determined that the reduction did not occur in the absence of a catalyst, but in the presence of the catalyst, the reduction occurred 98% in 3 min. It was determined that NiO nanoparticles were used five times in the photocatalytic reduction of methylene blue and the reduction efficiency for the fifth time was 93%. It was determined that the photocatalytic reduction of methylene blue was pseudo-first order and the rate constant was 1.63 s−1. It was determined that NiO nanoparticles synthesized by the environmentally friendly green synthesis method can be used as catalysts for two different applications. NiO nanoparticles were synthesized from pinecone extract in a simple, cost-effective, and green method. The synthesized NiO nanoparticles were characterized using various characterization techniques. NiO nanoparticles have high activity both in the photocatalytic reduction of methylene blue and in the hydrolysis of sodium borohydride, and they are catalysts with high activity in two different applications. Photocatalytic reduction of methylene blue with uncatalyzed NaBH4 was not achieved and was completed in 3 min in the presence of NiO nanoparticle catalyst. It was determined that the hydrogen production rate in sodium borohydride hydrolysis was 1135 mL/g/min. NiO nanoparticle catalysts have low activation energy for sodium borohydride hydrolysis. [ABSTRACT FROM AUTHOR]

This study investigated the effect of Titanium dioxide (TiO 2) synthesized using the method of green synthesis and the chemical (titanium (IV) ethoxide sol-gel technique) which was previously our work on the Ethylenediamine Bisborane (EDAB) hydrolysis process. Nanocomposites based on TiO 2 doped with Palladium (Pd) were synthesized by green synthesis using the Aloe Vera plant as the starting materials. The investigation of the structure and surface morphology of the plant mediated Pd/TiO 2-green catalyst was evaluated using X-Ray Diffractometer (XRD), scanning Electron microscopy (SEM), Energy Dispersive Spectrum (EDS), Brunauer-Emmett-Teller (BET), X-Ray Photoelectron Spectrometry (XPS), Fourier transformation infrared (FTIR) analyzes. The effect of catalyst on EDAB was examined at five different temperatures (20°C–80 °C), two different amounts of catalyst (0.08, 0.16 g) and in the different volumes of the reactor. For the comparison of catalyst preparation methods, the hydrogen gas release (HGR) for the hydrolysis of the EDAB using Pd/TiO 2-green and Pd/TiO 2-sol_gel (60 °C, 28.5 mM EDAB, 0.05 g catalyst) catalysts were determined as 360 ml min−1.g−1 and 78.48 ml min−1.g−1 respectively. The hydrolysis study shows the green synthesis Pd/TiO 2 displays a higher HGR efficiency compared to chemically synthesized Pd/TiO 2. • TiO 2 were synthesized by green synthesis using the Aloe Vera extract. • Green synthesis technique has come forward due to the non-uses of non-toxic solvents and reagents. • Catalytic hydrolysis of EDAB with Pd/TiO 2-green catalyst. • The hydrogen gas release of EDAB by Pd/TiO 2-green was improved compared with the Pd/TiO 2-sol_gel. [ABSTRACT FROM AUTHOR]

Context: Freon, a greenhouse gas that contributes to the depletion of the ozone layer, has been the subject of investigation in this study. The catalytic hydrolysis enhancement of CFC-12 by ZrO2 was examined using a density functional theory approach. A detailed reaction mechanism and a new reaction pathway were proposed. The study found that CFC-12 is more likely to be adsorbed on the ZrO2 surface in the CFC-12-TO(F) configuration, while H2O is more likely to be adsorbed on the ZrO2 surface in the H2O-TO(H) configuration. Additionally, H2O replaces CFC-12 on the surface of ZrO2. The hydrolysis of CFC-12 is primarily determined by the first dechlorination process, while the defluorination process is comparatively easier. ZrO2 has a catalytic effect on both dechlorination and defluorination processes, with a more pronounced effect on the former. The production of C–OH bonds is inhibited, which facilitates the dechlorination and defluoridation processes. Methods: This work was carried out in the Dmol3 program in the Material Studio 2017, including the geometric structure optimization and energy calculations. The GGA/PBE method was used in this work, along with the DNP basis, spin-polarized set, and DFT-D correction. The possible TSs were guessed based on the linear synchronous transit/quadratic synchronous transit/conjugate gradient (LST/QST/CG) method, and they were further confirmed and reoptimized to ensure that the only one imaginary frequency exists in the TSs. [ABSTRACT FROM AUTHOR]

mRNA-based vaccines are assured to significantly boost biopharmaceuticals since outbreak of coronavirus disease- 2019. Respiratory infections, such as influenza, SARS, MERS, COVID-19, and respiratory syncytial virus, often have high transmission rates due to their airborne spread. Respiratory infections can lead to severe illness and death. These outbreaks can cause substantial economic and social disruption, as seen with the COVID-19 pandemic. In our interconnected world, respiratory diseases can spread rapidly across borders. mRNA-based vaccines (e.g. mRNA-1283) can reduce the transmission by creating immunity in the population, thus lowering the incidence and spread of these diseases. Vaccines are crucial for global health security, helping to prevent local outbreaks from becoming global pandemics. Nevertheless, various concerns remain such as intracellular delivery, susceptibility to degradation by catalytic hydrolysis, and instability due to several physiological conditions. Therefore, an hour needed to address these challenges and opportunities for attaining high-quality and stable mRNA-based vaccines with novel drug delivery systems. The authors contributed an extensive review of the mRNA-based clinical development, progress in stability, and delivery challenges to mitigate market needs. In addition, the authors discuss crucial advances in the growth of mRNA-based vaccines to date; which dominate an extensive scope of therapeutic implementation. Finally, recent mRNA-based vaccines in clinical trials, adjuvant benefits, and prospects are discussed. [ABSTRACT FROM AUTHOR]

Developing a suitable catalyst for ammonia borane (AB, NH 3 BH 3) hydrolysis and clarifying the catalytic mechanism are essential and challenging at present. In this work, RuNi nanoalloys are supported on an N/O co-coped glucose-derived carbon (g-C) with the adsorption-NaBH 4 reduction method. Attributed to the particular geometric and anchoring effects, as well as the improved hydrophilicity of the multi-level porous support, the RuNi alloys are highly and firmly confined in the framework of g-C. Specifically, the optimal Ru 0.25 Ni 0.75 @g-C with an average alloy particle size of 1.4 nm exhibits pleasurable specific hydrogen evolution rate (437,990 mL min−1 g Ru −1) and turnover frequency (1612.37 min−1) in NaOH aqueous solution (1.5 M) at 303 K, superior to the corresponding monometallic counterparts (i.e., Ni@g-C and Ru@g-C) and many previous results. In addition, apart from satisfactory durability, the optimal alloy catalyst delivers an encouraging apparent activation energy (28.1 kJ mol−1). Our work not only explains the geometric and electronic effects on the catalytic performance but also offers a promising catalyst for hydrogen release from liquid-phase AB. [Display omitted] • Coupling geometric and electronic engineering over RuNi nanoalloy catalysts • RuNi ultrafine alloys are highly and firmly decorated in the framework of g-C • Ru 0.25 Ni 0.75 @g-C shows exceptional catalytic performance in AB hydrolysis • Further verifying the dominant role of an O–H cleavage in H 2 O [ABSTRACT FROM AUTHOR]

In this research, Mg 90 Ce 5 Ni 5 ingot alloys were prepared using the vacuum melting induction method. Subsequently, Ni/Zn/Co-based MOFs were synthesized via solvent thermal reaction. The phase composition and surface topography of the materials were tested using X-ray diffraction and scanning electron microscopy. The hydrogen production of Mg 90 Ce 5 Ni 5 alloy in MgCl 2 solution was studied. Avrami-Erofeev and Arrhenius's equations were utilized to fit the hydrogen production curve, studying hydrogen production kinetics and activation energy. The result shows that the alloy exhibits a faster initial hydrogen production rate after ball-milling, and the final hydrolysis yield is higher after hydrogenation. Compared to Mg 90 Ce 5 Ni 5 , Mg 90 Ce 5 Ni 5 + 2 wt% MOF/Ni, and Mg 90 Ce 5 Ni 5 + 2 wt% MOF/Zn, Mg 90 Ce 5 Ni 5 + 2 wt% MOF/Co demonstrates the best hydrolysis performance (1112 mL g−1, activation energy of 12.9 ± 0.5 kJ mol−1). Due to the synergistic effect between CoO and MgH 2 , the absorption and release of hydrogen were promoted. The hydrogen production of the alloy after the introduction of MOF/Co reached 1730 mL g−1, and the activation energy was 18.5 ± 1.4 kJ mol−1. Optimizing the hydrolysis performance of the Mg 90 Ce 5 Ni 5 alloy was achieved by introducing a MOF catalyst through ball milling. This structure-performance relationship provides an efficient modification strategy for synthesizing magnesium alloys with excellent kinetics. • Ni/Co/Zn-based MOF was doped in Mg 90 Ce 5 Ni 5 by ball milling technology. • The MOF/Co catalyst better improves the hydrolysis performance of the alloy. • The synergistic effect of CoO and MgH 2 promotes the absorption and release of H 2. • The E a of Mg 90 Ce 5 Ni 5 +MOF/Co and H-MOF/Mg 90 Ce 5 Ni 5 +Co are 12.91 and 18.54 kJ mol−1. • The H 2 productions of MCN + MOF/Co and H-MCN + MOF/Co are 1112 and 1730 mL g−1. [ABSTRACT FROM AUTHOR]

The synergistic effect between metals is of great significance for improving the performance of materials, but the mechanism of synergistic catalytic of bimetallic has rarely been reported in the hydrolysis of sodium borohydride (NaBH 4 , SB). In this paper, a flower shaped Co 2 FeO 4 catalyst with high catalytic performance was selected from a series of Co x M 3-x O 4 (M = Fe, Ni, Cu) catalysts by controlling the composition. Based on the results of XPS characterization and density functional theory (DFT) calculation, the influence of component control on catalytic performance was discussed and explained from the perspective of electronic structure, and the "valence band center" and "D-band center" descriptors were introduced into the SB hydrolysis reaction. The simulation analysis results showed that the synergistic effect between Co–Fe elements resulted in the smallest center shift of the D band, the smallest binding energy of the hydrolysis reaction, and the best promoting effect on the electronic structure, manifested as the best catalytic performance. The calculation results were consistent with the XPS characterization results and the experimental results of hydrolysis performance testing, revealing the principle of bimetallic synergistic effect on catalytic performance. The synergistic effect between metals is of great significance for improving the performance of materials, but the mechanism of synergistic catalytic of bimetallic has rarely been reported in the hydrolysis of sodium borohydride (NaBH 4 , SB). In this paper, a flower shaped Co 2 FeO 4 catalyst with high catalytic performance was selected from a series of Co x M 3-x O 4 (M = Fe, Ni, Cu) catalysts by controlling the composition. Based on the results of XPS characterization and density functional theory (DFT) calculation, the influence of component control on catalytic performance was discussed and explained from the perspective of electronic structure, and the "valence band center" and "D-band center" descriptors were introduced into the SB hydrolysis reaction. The simulation analysis results showed that the synergistic effect between Co–Fe elements resulted in the smallest center shift of the D band, the smallest binding energy of the hydrolysis reaction, and the best promoting effect on the electronic structure, manifested as the best catalytic performance. The calculation results were consistent with the XPS characterization results and the experimental results of hydrolysis performance testing, revealing the principle of bimetallic synergistic effect on catalytic performance. [Display omitted] • Flower-like Co 2 FeO 4 showed the best catalytic performance. • The "D-band center" and "valence -band center" of Co 2 MO 4 were studied. • Composition and electronic control improve the catalytic performance of Co 2 MO 4. • The adsorption configuration of H 2 O on the Co 2 MO 4 (311) surface was studied. [ABSTRACT FROM AUTHOR]

A biochar-incorporated g-C 3 N 4 composite was obtained by co-calcining the mixture of spent coffee grounds and melamine and used to anchor highly dispersed amorphous cobalt boride nanoparticles via an impregnation-reduction method. The as-prepared Co 2 B/BC-g-C 3 N 4 was applied to the catalytic hydrolysis of sodium borohydride to produce hydrogen. The physicochemical properties of Co 2 B/BC, Co 2 B/g-C 3 N 4 , and Co 2 B/BC-g-C 3 N 4 were evaluated by various techniques to help elucidate the effect of the composite structure on the performance of Co 2 B/BC-g-C 3 N 4. The Co 2 B/BC-g-C 3 N 4 exhibits much better activity than Co 2 B/BC and Co 2 B/g-C 3 N 4 because of a synergistic effect between the biochar and g-C 3 N 4. In addition, the reaction kinetics can be improved by exposing the reaction system to visible light irradiation, yielding a hydrogen generation rate of 10.3 L min−1 g Co −1 in comparison to that of 9.1 L min−1 g Co −1 under darkness. The possible mechanism of the H 2 generation from the catalytic hydrolysis of sodium borohydride over Co 2 B/BC-g-C 3 N 4 under visible light irradiation was proposed. This work highlights the potential application of biochar-incorporated g-C 3 N 4 composite in synthesizing metallic catalysts and their practical use for photo-assisted catalytic hydrolysis of sodium borohydride. [Display omitted] • A biochar-g-C 3 N 4 composite is prepared by co-calcination of spent coffee and melamine. • Co 2 B nanoparticles are immobilized on the BC-g-C 3 N 4 composite. • Co 2 B/BC-g-C 3 N 4 exhibits improved activity toward hydrolysis of NaBH 4 under visible light irradiation. • A possible reaction mechanism of photo-assisted NaBH 4 hydrolysis for H 2 release is proposed. • Regulation of the local electron density of Co active sites occur under visible light irradiation. [ABSTRACT FROM AUTHOR]

This investigation enhances the catalytic efficiency of Co–B/CNTs for hydrogen production via sodium borohydride hydrolysis by doping with 5%Y 2 O 3. Such doping significantly boosts hydrogen evolution rates, with Co–Y 2 O 3 –B/CNTs achieving a production rate of 1083.43 ml g−1·min−1—surpassing Co–B/CNTs by 1.5 times and tripling that of Co–B catalysts. SEM and XRD analyses show Y 2 O 3 doping reduces particle aggregation and maintains the catalyst's amorphous state, thereby increasing the active surface area. Furthermore, XPS analysis demonstrates that introducing yttrium into Co–B/CNTs catalysts improves their surface elemental composition and valence states. This improvement boosts catalyst performance and stability by enhancing electron transfer and particle size optimization. Optimal hydrolysis is achieved at an NaOH concentration of 2.5 mol/L, with higher concentrations diminishing hydrogen production due to increased viscosity from by-product formation. Additionally, Co–Y 2 O 3 –B/CNTs catalysts exhibit commendable durability, maintaining more than two-thirds of their initial activity after five reuse cycles, outperforming comparable catalysts to a moderate extent. These findings underscore the beneficial role of Y 2 O 3 in the Co–B/CNTs framework, promoting Y 2 O 3 -doped catalysts for their enhanced efficiency, sustainability, and hydrogen production capabilities. • Key Findings : • Y 2 O 3 doping in Co–B/CNTs catalysts significantly boosts the hydrogen production rate, achieving 1083.43 ml g⁻1 min⁻1, which is 1.5 times higher than Co–B/CNTs and three times that of Co–B catalysts alone. • The introduction of Y 2 O 3 reduces particle aggregation and enhances the amorphous nature of the catalyst, increasing the active surface area and improving electron transfer for enhanced catalytic performance. • Significance of the Research : • This study provides a substantial improvement over existing Co–B/CNTs catalysts by incorporating Y 2 O 3 , which mitigates issues like particle aggregation and low catalytic activity, common in traditional cobalt-based catalysts. • The findings offer a viable alternative to noble metals, presenting a more cost-effective and abundant material for hydrogen production that can be crucial for scalable green energy solutions. • Methodological Innovations : • The catalyst's synthesis involves a unique doping process with Y2O3 using a chemical reduction technique that maintains the structural integrity of CNTs while enhancing the catalytic surface through yttrium's interaction. • Advanced characterization techniques such as SEM, XRD, and XPS were employed to deeply analyze the catalyst's microstructure and surface chemistry, providing insights into the mechanisms behind the improved performance. • Practical Applications : • The enhanced hydrogen production capabilities of Y 2 O 3 -doped Co–B/CNTs catalysts are particularly suitable for industrial applications where cost and efficiency are critical, such as in fuel cell technologies or large-scale hydrogen generation plants. • The catalyst's stability and reusability, maintaining significant activity after multiple cycles, make it an attractive option for sustained hydrogen production in renewable energy systems. • Future Research Directions : • Investigate the effects of different Y2O3 doping levels on catalytic efficiency to find the optimal ratio. • Explore the impact of doping with other rare earth elements to further improve catalyst stability and activity. • Develop new synthesis methods to reduce costs and improve catalyst recyclability. [ABSTRACT FROM AUTHOR]

Energy production is one of the most crucial issues presently attracting global attention. In this work, a CuMOF@Faujasite nanocomposite was synthesized and utilized as a novel efficient catalyst for hydrogen production. The produced composite was first characterized using X‐ray diffraction (XRD), Fourier‐ transform infrared (FT‐IR), thermogravimetric analysis (TGA), and differential scanning calorimetry. Surface properties were analyzed via nitrogen adsorption–desorption isotherms. All characterization results revealed the formation of a pure and well‐defined crystalline phase, with a high specific surface area (SBET) of 286 m2/g (SBET of Faujasite is 35 m2/g). Moreover, the morphology and compositional analysis of the nanocomposite were assured through the scanning (SEM) and transmission (TEM) electron microscope and X‐ray photospectroscopy (XPS). SEM and TEM images revealed sponge‐like spheres that are related to Faujasite besides small spherical particles related to CuBDC MOF. XPS analysis revealed a low content of CuMOF in the nanocomposite. The catalytic activity of the nanocomposite was tested for the dehydrogenation of NaBH4. The impact of NaBH4 concentration, weight of the catalyst, and the reaction temperature on NaBH4 hydrolysis was investigated. A hydrogen generation rate (HGR) of 484 mLmin−1 g−1 at 30 °C was achieved using 50 mg of the catalyst and 0.05 mol/l of NaBH4 owing to the high specific area and the selective active sites for such hydrolytic reaction. The kinetic analysis of the activity data indicates the first‐order behavior at low concentrations of NaBH4. Furthermore, at concentrations ≥0.065 mol L−1, zero‐order kinetics was predominant. The time needed for completion of the hydrolysis reaction was found to be decreased (~20 min) by increasing the catalyst mass as well as NaBH4 concentration or even by elevating the reaction temperature (~4 min at 60 °C). The activation energy was estimated; it was found to be 70.5 KJ mol−1. Ultimately, our catalyst showed a reasonable rate of hydrogen production, as compared to others reported earlier. [ABSTRACT FROM AUTHOR]

The development of low‐cost and high‐efficiency catalysts for the hydrolytic dehydrogenation of ammonia borane (AB, NH3BH3) is still a challenging technology. Herein, ultrafine MoOx‐doped Ni nanoparticles (~3.0 nm) were anchored on g‐C3N4@glucose‐derived nitrogen‐doped carbon nanosheets via a phosphate‐mediated method. The strong adsorption of phosphate‐mediated nitrogen‐doped carbon nanosheets (PNCS) for metal ions is a key factor for the preparation of ultrasmall Ni nanoparticles (NPs). Notably, the alkaline environment formed by the reduction of metal ions removes the phosphate from the PNCS surface to generate P‐free (P)NCS so that the phosphate does not participate in the subsequent catalytic reaction. The synthesized Ni−MoOx/(P)NCS catalysts exhibited outstanding catalytic properties for the hydrolysis of AB, with a high turnover frequency (TOF) value of up to 85.7 min−1, comparable to the most efficient noble‐metal‐free catalysts and commercial Pt/C catalyst ever reported for catalytic hydrogen production from AB hydrolysis. The superior performance of Ni−MoOx/(P)NCS can be ascribed to its well‐dispersed ultrafine metal NPs, abundant surface basic sites, and electron‐rich nickel species induced by strong electronic interactions between Ni−MoOx and (P)NCS. The strategy of combining multiple modification measures adopted in this study provides new insights into the development of economical and high‐efficiency noble‐metal‐free catalysts for energy catalysis applications. [ABSTRACT FROM AUTHOR]

Microalgal biomass can be utilized for the production of value-added chemicals and fuels. Within this research, Chlorella vulgaris biomass left behind after the extraction of lipids and proteins was converted to valuable sugars, organic acids and furanic compounds via hydrolysis/dehydration using dilute aqueous sulfuric acid as a homogeneous catalyst. Under mild conditions, i.e., low temperature and low sulfuric acid concentration, the main products of hydrolysis/dehydration were monomeric sugars (glucose and xylose) and furanic compounds (HMF, furfural) while under more intense conditions (i.e., higher temperature and higher acid concentration), organic acids (propionic, formic, acetic, succinic, lactic, levulinic) were also produced either directly from sugar conversion or via intermediate furans. As a second valorization approach, the residual microalgal biomass was converted to value-added sugar alcohols (sorbitol, glycerol) via hydrogenation/hydrogenolysis reactions over metallic ruthenium catalysts supported on activated carbons (5%Ru/C). It was also shown that a low concentration of sulfuric acid facilitated the conversion of biomass to sugar alcohols by initiating the hydrolysis of carbohydrates to monomeric sugars. Overall, this work aims to propose valorization pathways for a rarely utilized residual biomass towards useful compounds utilized as platform chemicals and precursors for the production of a wide variety of solvents, polymers, fuels, food ingredients, pharmaceuticals and others. [ABSTRACT FROM AUTHOR]

The exploration of stable, efficient, and low‐cost catalysts toward ammonia borane hydrolysis is of vital significance for the practical implementation of this hydrogen production technology. Integrating interface engineering and nano‐architecture engineering is a favorable strategy to elevate catalytic performance, as it can modify the electronic structure and provide sufficient active sites simultaneously. In this work, urchin‐like NiCoP/CoP heterostructures are prepared via a three‐step hydrothermal‐oxidation‐phosphorization synthesis route. It is demonstrated that the original Ni/Co molar ratio and the amount of phosphorus are crucial for adjusting the morphology, enhancing the exposed surface area, facilitating charge transfer, and modulating the adsorption and activation of H2O molecules. Consequently, the optimal Ni1Co2P heterostructure displays remarkable catalytic properties in the hydrolysis of ammonia borane with a turnover frequency (TOF) value of 30.3 molH2 ⋅ min−1 ⋅ molmetal−1, a low apparent activation energy of 25.89 kJ ⋅ mol−1, and good stability. Furthermore, by combining infrared spectroscopy and isotope kinetics experiments, a possible mechanism for the hydrolysis of ammonia borane was proposed. [ABSTRACT FROM AUTHOR]

Graphene is a good support for immobilizing catalysts, due to its large theoretical specific surface area and high electric conductivity. Solid chemical converted graphene, in a form with multiple layers, decreases the practical specific surface area. Building pores in graphene can increase specific surface area and provide anchor sites for catalysts. In this study, we have prepared porous graphene (PG) via the process of equilibrium precipitation followed by carbothermal reduction of ZnO. During the equilibrium precipitation process, hydrolyzed N,N-dimethylformamide sluggishly generates hydroxyl groups which transform Zn2+ into amorphous ZnO nanodots anchored on reduced graphene oxide. After carbothermal reduction of zinc oxide, micropores are formed in PG. When the Zn2+ feeding amount is 0.12 mmol, the average size of the Pt nanoparticles on PG in the catalyst is 7.25 nm. The resulting Pt/PG exhibited the highest turnover frequency of 511.6 min−1 for ammonia borane hydrolysis, which is 2.43 times that for Pt on graphene without the addition of Zn2+. Therefore, PG treated via equilibrium precipitation and subsequent carbothermal reduction can serve as an effective support for the catalytic hydrolysis of ammonia borane. [ABSTRACT FROM AUTHOR]

Background: The specific impact of sphingolipid metabolism on developing hepatocellular Carcinoma (HCC) remains unclear. This study aims to explore the relationship between sphingolipid metabolism and HCC prognosis, immune response, and drug sensitivity. Methods: Data were obtained from The Cancer Genome Atlas (TCGA)- Hepatocellular Carcinoma (LIHC) and Gene Expression Omnibus (GEO, GSE14520 datasets). 47 sphingolipid metabolism genes were obtained from the Kyoto Encyclopedia of Genes and Genomes (KEGG) database. After classifying HCC samples using the Non-negative Matrix Factorization (NMF) clustering method, differentially expressed genes were screened. Then, 8 risk genes were obtained by univariate analysis, survival random forest reduction and lasso analysis. The expression of 8 risk genes was verified in vitro. Results: 8 risk genes were used to construct the Sphingolipid score model. High-Sphingolipid score predicted poor prognosis of HCC patients. Sphingolipid score was associated with immune checkpoints (IL-1B, TLR4, TGFB1, and IL-10), immune cells (Th2, Treg, MDSC, Neutrophil, Fibroblasts and macrophage), and MAPK Cascade. In the High-Sphingolipid score group, a significantly higher proportion of patients with TP53 (p53) mutations was significantly higher (56%). Furthermore, patients with a high- Sphingolipid score were predicted to have a higher sensitivity to chemotherapy drugs. In vitro validation showed that compared with normal liver cells LX-2, TRIM47, and S100A9 significantly increased in liver cancer cells Hep G2, MHCC-97H, and Hep3B2.1-7, while SLC1A7, LPCAT1, and CFHR4 significantly decreased. Silencing TRIM47 reduced the proliferation and promoted apoptosis. The levels of ceramide synthesis-related indexes (CERS1, CERS6, CERS5, and SPTLC2) increased, and the ACER3 related to catalytic hydrolysis decreased. Conclusion: We constructed a sphingolipid metabolism-related prognostic signature (Sphingolipid score) based on 8 risk genes. TRIM47 may affect the development of liver cancer by regulating the relevant indicators of ceramide synthesis and catalytic hydrolysis. [ABSTRACT FROM AUTHOR]

This editorial provides an overview of a special issue titled "State of the Art in Molecular Catalysis in Europe" in the journal Catalysts. The issue includes eleven contributions covering a wide range of topics related to heterogeneous and homogeneous catalysis. Two reviews discuss the catalytic aspects of Zn-air batteries and organic dyes, while the remaining nine scientific research papers focus on topics such as palladium catalysts, acid hydrolysis/dehydration, and catalysts for polymerization processes. The authors express their gratitude to the contributors and hope that readers will enjoy the special issue. [Extracted from the article]

Monochlorodifluoromethane (HCFC-22) has been identified as a significant contributor to the depletion of the Earth's ozone layer, garnering considerable attention within the scientific community. Consequently, the investigation of Freon degradation has become a central focus of current research efforts. In this study, we opted to employ catalytic hydrolysis as it offers numerous advantages for the degradation of HCFC-22. Specifically, we prepared ZnO/ZrO2 catalysts with hexahedral rod-like structures through citric acid complexation. We examined the impact of various preparation conditions (such as the molar ratio of ZnO to ZrO2, calcination temperature, and calcination time) as well as catalytic hydrolysis conditions (including the amount of catalyst, total flow rate, and catalytic hydrolysis temperature) on the hydrolysis rate of HCFC-22. Characterization of the catalysts was performed using techniques such as XRD, SEM, EDS, TG-DTG, FTIR, N2 adsorption–desorption, CO2-TPD, and NH3-TPD. Our experimental findings revealed the optimal preparation conditions: a catalytic hydrolysis temperature of 100 °C, a molar ratio of ZnO to ZrO2 of 0.7, a water bath temperature of 90 °C, a roasting temperature of 400 °C, and a roasting time of 4 h. At a catalytic hydrolysis temperature of 100 °C, the hydrolysis rate of HCFC-22 reached 99.81%, with the main hydrolyzed products being HCl, HF, and CO2. [ABSTRACT FROM AUTHOR]

Mutations in the human PARK7 gene that encodes protein DJ-1 lead to familial Parkinsonism due to loss of dopaminergic neurons. However, the molecular function of DJ-1 underpinning its cytoprotective effects are unclear. Recently, DJ-1 has been shown to prevent acylation of amino groups of proteins and metabolites by 1,3-bisphosphoglycerate. This acylation is indirect and thought to proceed via the formation of an unstable intermediate, presumably a cyclic 3-phosphoglyceric anhydride (cPGA). Several lines of evidence indicate that DJ-1 destroys cPGA, however this enzymatic activity has not been directly demonstrated. Here, we report simple and effective procedures for synthesis and quantitation of cPGA and present a comprehensive characterization of this highly reactive acylating electrophile. We demonstrate that DJ-1 is an efficient cPGA hydrolase with kcat/Km = 5.9 × 106 M−1s−1. Experiments with DJ-1-null cells reveal that DJ-1 protects against accumulation of 3-phosphoglyceroyl-lysine residues in proteins. Our results establish a definitive cytoprotective function for DJ-1 that uses catalytic hydrolysis of cPGA to mitigate the damage from this glycolytic byproduct. Human protein DJ-1 displays neuroprotective properties. Here, the authors demonstrate that DJ-1 hydrolyzes cyclic 3-phosphoglyceric anhydride (cPGA), thereby protecting proteins from acylation by this highly reactive metabolite spontaneously forming in glycolysis. [ABSTRACT FROM AUTHOR]

Rice husk is a massive byproduct of the agricultural sector, but less effort has been paid for its recycling. In this study, ultrasound-assisted inorganic treatment with HNO3, H2SO4, and H2O2 was adopted to modify rice husk as a biosynthesized catalyst. The activity of produced biosynthesized catalyst was assessed in hydrogen production through the hydrolysis of sodium borohydride in an alkaline solution. The characterization of as-prepared biosynthesized catalysts revealed that HNO3 was an efficient agent to protonate the surface of rice husk and make active sites available for the hydrolysis reactions. In addition, ultrasound-assisted HNO3 treatment caused a constructive effect on the structural property of rice husk and increased the surface area from 1.9 m2/g to 17 m2/g and pore volume from 0.45 cm3/g to 3.9 cm3/g. According to optimum synthesizing conditions (45 wt% HNO3 and 10 min ultrasonication), ARH-N45-10 could produce 745 mL/g hydrogen from the alkaline solution of NaBH4 at ambient conditions. Based on the kinetic study, the catalytic hydrolysis of NaBH4 by modified rice husk followed first-order kinetic concerning the NaBH4 per fixed NaOH ratio. Moreover, the thermodynamic analysis indicated that hydrolysis of NaBH4 and formation of hydrogen on the modified rice husk is an endothermic and spontaneous reaction, where the hydrogen generated at 55 °C (5280 mL/g) was seven times more than that at ambient temperature, and also activation energy was calculated 57.68 kJ/mol from Arrhenius plot. [ABSTRACT FROM AUTHOR]

• First, reproduction of byzantine iron gall ink recipes with natural raw ingredients on hemp handmade paper and goatskin parchment. • Iron-Gall mock-ups were examined by elemental and molecular spectroscopic techniques before and after thermal accelerating ageing. • µ-Raman spectroscopy revealed modification of main bands and increase fluorescence after thermal accelerating ageing. • SEM-EDS documented the different formation of crystal aggregates in the cellulosic fibers compared to those in the parchment and increased sulfur content. • The spectroscopic data elucidate degradation pathways and the possible effect of raw ingredients. Understanding the mechanism of iron gall ink corrosion and degradation is essential for the selection and implementation of a successful conservation treatment to ensure their preservation. Recipe reproduction and diagnostic analysis of corrosion products may assist to understand this mechanism. This study aims to reconstruct iron gall inks using the instruction mentioned in Byzantine and Post-Byzantine recipes, with natural ingredients comparable to pure compounds. The inks were applied on different substrates (paper, parchment) and submitted to thermal accelerated ageing. Artificially aged inks were examined with SEM-EDS that revealed the different formation of crystal deposits in paper and parchment, whereas suggested an increasing percentage of sulphur, corresponding to sulfate ions that accelerated catalytic acid hydrolysis. Furthermore, µ-Raman spectra indicate the possibility of the bond weakening between the ink molecules and elucidates the mechanism of iron gall inks degradation. An increase of fluorescence was also observed to ink degradation and excess amount of added organic compounds. [ABSTRACT FROM AUTHOR]

The inhibitory action of Schiff base complexes of 3d metals against the urease enzyme is well explored in the scientific community. However, the ability of such complexes in mimicking active metallobiosites of urease enzymes, possessing ureolytic behavior, still remains unexplored. With this aim firstly, two Zn(II)-complexes (PPR-HMB-Zn and PZ-HMB-Zn) have been developed from two different Schiff base ligands (HL1 = 2-((E)-(2-(piperidin-1-yl)ethylimino)methyl)-5-methylphenol and HL2 = 2-((E)-(2-(piperizin-1-yl)ethylimino)methyl)-5-methylphenol) and structurally characterized using single crystal XRD. The hydrolytic enzymatic activity of both complexes was demonstrated by the gradual increase in the absorption maxima at 425 nm for the formation of the p-nitrophenolate ion from catalytic hydrolysis mediated by the Zn(II) complexes with a disodium salt of p-nitrophenyl phosphate as a model substrate. Associated kinetic parameters, pH dependency and a relevant hydrolysis mechanism have also been explored. After confirming the hydrolytic ability, the complexes were exploited to mimic the hydrolytic activity of Jack bean urease that catalytically hydrolyses urea into ammonia and CO2. The change in the pH of the solution owing to the formation of ammonia under the complex catalysed hydrolytic action of urea has been monitored spectrophotometrically using the pH dependent structural change of phenol red. The amount of ammonia has been quantified using the Nessler's reagent spectrophotometric method. The ureolytic reaction mechanism has been investigated using density functional theory (DFT) calculations using the B3LYP and TPSSH methods for the systematic calculation of the interaction energy. In contrast to PZ-HMB-Zn, PPR-HMB-Zn functions more effectively as a catalyst due to the existence of a lattice-occluded water molecule in its crystal structure and the protonation of the non-terminal N to attract urea by H-bonding, which was further confirmed by AIM analysis. [ABSTRACT FROM AUTHOR]

Cyanogen chloride (CNCl) is a highly toxic agent, but there is currently a lack of research on the catalytic hydrolysis reaction of CNCl on metal surfaces. The low efficiency and unclear mechanism of CNCl hydrolysis reaction have hampered the development and enhancement of protective equipment. In this work, we focused on investigating the adsorption behavior and hydrolysis mechanism of CNCl on copper and chromium surfaces through first‐principle methods. Our findings revealed the most stable adsorption configuration of CNCl on metal surfaces and its terminal flipping behavior during the hydrolysis process. Subsequently, we designed and studied a series of CNCl hydrolysis reaction pathways, primarily involving C‐terminal intermediates. Notably, the adsorption energy of CN* displayed strong linear scaling relationships with that of other key reaction intermediates, directly influencing the activity and selectivity of CNCl hydrolysis. By employing the adsorption energy expression based on the intrinsic properties of substrates and adsorbates, we extended them to identify the adsorption energies of various complex reaction intermediates involved in CNCl hydrolysis. This comprehensive understanding of the reaction mechanism on metal surfaces provides a theoretical foundation and innovative perspective for the further exploration of CNCl hydrolysis catalysts. [ABSTRACT FROM AUTHOR]

This paper summarizes the research status of the influence of different support properties on carbonyl sulfur hydrolysis catalysts and the influence of carrier pore structure on carbonyl sulfur hydrolysis conversion. The catalytic mechanism of carbonyl sulfur hydrolysis were discussed・ The mechanism of oxygen poisoning, sulfur poisoning and chlorine poisoning of hydrolytic catalyst was emphatically introduced・ On this basis, the future research direction of carbonyl sulfur hydrolysis catalyst was prospected, which provided theoretical support for the subsequent development of high efficiency hydrolysis catalyst. [ABSTRACT FROM AUTHOR]

The doping of nonmetals in multiphase metal catalysts can effectively improve the catalytic performance and reduce the catalyst cost. In this study, we synthesized transition metal phosphide (RuCo@P/CNT) catalysts loaded on carbon nanotubes (CNT) using sodium borohydride (NaBH4) as the reducing agent. The microstructure and phase composition of RuCo@P/CNT nanoparticles were investigated using X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), transmission electron microscopy (TEM), and BET. RuCo@P/CNT nanoparticles show superior catalytic activity and cycle stability in the catalytic ammonia borane hydrolysis process compared to Ru/CNT and RuCo/CNT nanoparticles, retaining 65.74% of their initial catalytic activity after 5 reaction cycles. The test yielded values for turnover frequency and activation energy of 327.33 min-1 and 36.77 kJ·mol-1, respectively. Additionally, a kinetic isotope effect value of 2.61 for H2O/D2O showed that O-H bond breaking in proportional acceptor water is the decisive step in the dehydrogenation of ammonia borane, and based on this discovery, a specific mechanism for the catalytic hydrolysis of AB by RuCo@P NPs is postulated. [ABSTRACT FROM AUTHOR]

Herein, the efficiency of the Co catalyst synthesized in caffeine-based carbon quantum dot-supported material using ethanol solvent was evaluated for H 2 production from the hydrolysis of KBH 4. The chemical compositions and morphology structures of these caffeine carbon dot-supported Co catalysts were carefully characterized by XRD, TEM, BET, EDS, FTIR, XPS, and ICP/OES analyses. XPS, FTIR and EDX analyses showed abundant oxygen atoms on the caffeine carbon dot-supported Co catalyst. It can be attributed to the prevention of aggregation of particles by reducing the average particle size with both caffeine and carbon quantum dots materials. The catalysts prepared in methanol and ethanol solvent by hydrothermal treatment compared to water have significant effects on H 2 production from KBH 4 hydrolysis. The H 2 production rate obtained by Co@MOF-CQD (ethanol) at 30 °C was 17,081 ml min−1g−1. At the same time, the TOF value obtained with 4% KBH 4 for the Co@MOF-CQD (ethanol) was found as 2765 h−1. The reusability of Co@CQD-MOF(ethanol) for the catalytic hydrolysis of KBH 4 for H 2 production was evaluated by six consecutive experiments. [Display omitted] • Accessibility of the active catalyst surface is important for H 2 production rate. • Catalyst particle diameter is vital for H 2 production from KBH 4 hydrolysis. • Catalysts prepared in different solvents are also effective on H 2 production from KBH 4. • Caffeine carbon quantum dot supported Co catalyst was synthesized in ethanol. • H 2 production rate obtained by Co@MOF-CQD (ethanol) was 17,081 ml min−1g−1. [ABSTRACT FROM AUTHOR]

Hydrogen evolution through the catalytic hydrolysis of NaBH 4 by transition metals holds great promise for sustainable green energy production. In this study, we presented an electroless process for synthesizing Cr-doped Ni–B catalysts supported on rice husks. The kinetics and thermodynamics of the NaBH 4 hydrolysis were systematically investigated. The crystallography confirmed the formation of Ni and Cr connected to B. 0.8 wt% Cr also significantly impacted the Ni–B activity and enhanced the hydrogen generation rate from 394 to 801 ml min−1.g−1 at 32 °C. Based on Kinetics, NaBH 4 hydrolysis by Ni–B–Cr 0.8 needs an activation energy of 50.64 kJ mol−1 and follows zero- and first-order kinetics concerning NaBH 4 and catalyst weight. After five cycles reusability, the Ni–B–Cr 0.8 revealed excellent stability and kept its activity almost constant in basic NaBH 4 solution. [Display omitted] • Cr-doped Ni–B catalyst supported on rice husk were synthesized by electroless method. • The catalytic activity was assessed for H 2 evolution by basic NaBH 4 hydrolysis. • 0.8 wt% Cr doubled the surface area of Ni–B and raised HGR from 394 to 801 ml min.gr−1. • NaBH 4 hydrolysis by Ni–B–Cr 0.8 was first-order kinetics based on catalyst weight. • ΔH# and ΔG# of NaBH 4 hydrolysis reaction were 47.98 and 92.65 kJ mol−1. [ABSTRACT FROM AUTHOR]

Here, carbon quantum dot (CQD) supported Ru nanoparticles from the caffeine in methanol or water by the hydrothermal method were synthesized for the first time to produce hydrogen (H 2) by hydrolysis of ammonia borane(NH 3 BH 3) and their catalytic activities were investigated. The chemical compositions and morphology structures of this caffeine carbon dot-supported Ru catalysts were carefully characterized by UV, PL, TEM, FTIR, and ICP/OES analyses. Well-dispersed Ru nanoclusters with ∼1.81 nm particle size on CQD by the hydrothermal method in methanol medium showed very good catalytic performance. The turnover frequency (TOF) obtained for H 2 production from the catalytic hydrolysis of 5% NH 3 BH 3 with CQD supported Ru catalyst obtained by the hydrothermal method in methanol and water was found to be 361 and 1895 mol H 2 min−1 mol−1, respectively. The activation energies (Ea) for NH 3 BH 3 hydrolysis with the same catalysts were measured as 33.32 and 27.80 kJmol-1, respectively. [Display omitted] • CQD supported Ru nanoparticles in methanol or water by hydrothermal method were synthesized. • CQD supported Ru nanoparticles were used to produce H 2 by hydrolysis of NH 3 BH 3. • Ru@CQD(methanol) nanoclusters with 1.81 nm were prepared by hydrothermal method. • TOF value obtained by Ru@CQD(methanol) was 1895 min−1. • Ea for NH 3 BH 3 hydrolysis by Ru@CQD(methanol) was 27.80 kJmol-1. [ABSTRACT FROM AUTHOR]

In this experiment, the as-cast CaMg 2 , CaMg 2 Ni 0.1 , CaMg 2 Zn 0.1 , CaMg 2 Ti 0.1 ternary alloys have been successfully developed through vacuum melting induction method. The phase compositions and microstructures of these alloys were characterized using X-ray diffraction and scanning electron microscopy. Subsequently, we investigated the kinetics and microscopic mechanism of hydrolysis in MgCl 2 aqueous solution for both as-cast and hydrogenated alloys. The hydrogen production curves were fitted at different temperatures using the nucleation-growth Avrami model, which exhibited a good fit to the hydrolysis kinetics. Our findings revealed that the hydrides obtained through H 2 absorption exhibited fast hydrolysis reaction rates. Notably, CaMg 2 Ti 0.1 alloy demonstrated excellent hydrolysis properties, with a yield of 1020 mL/g and an activation energy of 37.77 kJ/mol. The activation energy of H–CaMg 2 Ti 0.1 alloy decreased to 15.66 kJ/mol, attributed to the synergistic catalytic effect of TiH 2 phase and Ca 4 Mg 3 H 12 phase. These hydrides exhibited ease of hydrolysis, releasing H+ ions to generate H 2 gas. Furthermore, the hydrolysis properties of the as-cast alloys were observed that ranked as CaMg 2 Ti 0.1 > CaMg 2 Zn 0.1 > CaMg 2 > CaMg 2 Ni 0.1. However, the order of hydrogenated alloys changed to CaMg 2 Ti 0.1 > CaMg 2 Zn 0.1 > CaMg 2 Ni 0.1 > CaMg 2 , indicating the synergistic catalytic effect between the Mg phase and Mg 2 NiH 4. Among the Mg-based alloys, Ca–Mg-based alloy hydrolysis showed a research trend towards improving the kinetic properties through alloying. • Hydrogenation has been proved to enhance the hydrolysis yields and kinetics. • Mg 2 Ni and CaMg 2 phase synergistic effect to promote the hydrolysis. • Zn(OH) 2 competes for OH− and reduces the formation of Mg(OH) 2 dense layer. • CaMg 2 Ti 0.1 exhibited the most favorable kinetic properties. • E a of CaMg 2 Ti 0.1 and H–CaMg 2 Ti 0.1 are 37.77 kJ/mol and 15.66 kJ/mol. [ABSTRACT FROM AUTHOR]

Context: The hydrogen cyanide (HCN) hydrolysis reaction mechanism over Al-doped graphene was investigated through the density functional theory method. HCN preferentially adsorbed vertically on the Al top site to form a stable adsorption configuration. H2O preferentially adsorbed parallel on the Al top site to form a stable adsorption configuration. The competitive adsorption of HCN and H2O weakened the adsorption stability of each molecule over Al-doped graphene. The break of C-N and H-O bonds was the key process in the preferential fracture pathway of the C-H bond. The break of C-N and C-H bonds was the key process in the preferential fracture pathway of the H-O bond. HCN played the role of bridge in the joint adsorption process. H atom transfer and C-N bond cleavage promoted the generation of CO and NH3. The change in the order of H atom transfer determined the reaction energy barrier. NH2CHO was more likely to act as an intermediate to promote the hydrolysis process. Methods: The calculation work was achieved from the Dmol3 program in Material Studio 2017 using the GGA/PBE method with DNP basis, including the geometric structure and reaction pathway optimization, and adsorption energy calculation. All calculations were performed using a spin-polarized set and the TS method was used for DFT-D correction. [ABSTRACT FROM AUTHOR]

In order to improve the surface properties of wool fiber, the wool fabric was treated with liquid ammonia and protease treatments successively. The results showed that liquid ammonia pretreatment could cause certain damage to the surface structure and disulfide bonds in keratin, which enhanced the action of protease on wool surface and catalytic hydrolysis of the cuticle. The joint treatment of liquid ammonia and protease changed the secondary structure of wool. The content of α‐helix and random crimp increased, while the content of β‐sheet decreased. In addition, the shrink resistance of wool fabric was significantly improved without obvious losses in tensile strength and elongation. The combination of liquid ammonia and protease treatments provides a potential new method for the surface modification and eco‐friendly shrink‐resistant finishing of wool and further widens the application of liquid ammonia in textile industry. [ABSTRACT FROM AUTHOR]