Metal Ions Mn Research Articles

A xylenol orange-based pH-sensitive sensor array for identification of bacteria and differentiation of probiotic drinks.

The development of straightforward and cost-efficient methods for bacterial identification is very important. In this study, we utilized xylenol orange, metal ions, and diverse bacterial carbon sources to construct a sensor array, achieving precise bacterial identification. Initially, we examined the absorbance variations of xylenol orange with five metal ions (Mn2+, Co2+, Ni2+, Cu2+, and Zn2+) at pH levels ranging from 4 to 7, observing significant changes at 570 nm or 580 nm. Given that bacteria can generate varying amounts of acid in different carbon sources, we employed a blend of xylenol orange and the five metal ions as pH-sensitive probes to characterize bacterial metabolism in three carbon sources, resulting in the development of a five-sensor array that effectively differentiated seven bacteria. Additionally, by utilizing xylenol orange with Co2+, we successfully identified six different bacterial mixtures and five types of probiotic drink products. These findings highlight the potential of our methods for broader practical application in bacterial identification in practical use.

Structure-function mapping and mechanistic insights on the SARS CoV2 Nsp1.

Non-structural protein 1 (Nsp1) is a key component of the infectious process caused by the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV2), responsible for the COVID-19 pandemic. Our previous data demonstrated that Nsp1 can degrade both RNA and DNA in the absence of the ribosome, a process dependent on the metal ions Mn2+, Ca2+, or Mg2+ (Salgueiro et al., SARS-CoV2 Nsp1 is a metal-dependent DNA and RNA endonuclease. Biometals. 2024;37:1127-1146). The protein is composed of two structural domains: the N-terminal domain (NTD) and C-terminal domain (CTD), connected by a loop. To elucidate the function of each structural domain, we generated four truncated versions of Nsp1 containing either the NTD or the CTD. Our results indicate that the Nsp1SARS-CoV2 domains play distinct functional roles. Specifically, the NTD is involved in nucleotide binding and regulation, while the CTD acts as the catalytic domain. Moreover, a tyrosyl radical was detected during the nuclease activity, and an in-depth analysis of the different constructs suggested that Y136 could be involved in this process. Indeed, our results show that Y136F Nsp1 variant lacks DNA nuclease activity but retains its RNA nuclease activity. Furthermore, we observed that the CTD has a propensity to associate with hydrophobic environments, suggesting that it might associate with cell membranes. However, the cellular function of this association requires further investigation. This study sheds light on the functions of the individual domains of Nsp1, providing valuable insights into its mechanism of action in Coronaviruses.

Synthesis of (222)-oriented defect-rich MOF-808 membranes towards high-efficiency uranium rejection

Energy-efficient separation of uranium from seawater elicits huge interest for sustainable development of nuclear energy industry. Aiming at high-efficiency uranium separation from seawater, in this study, we pioneered room-temperature preparation of (222)-oriented defect-rich MOF-808 membrane using Zr6-oxo cluster as metal source through oriented growth. Benefitting from higher missing-linker number in the framework and minimized diffusion path length in the membrane, accurate and facilitated ion-transporting channels with size larger than kinetic diameters of hydrated ions of common metal ions (Mn+, n=1, 2, 3) except uranyl ions (UO22+) were established. Compared with other metal ions, our membrane exhibited rejection rate of almost 100% for UO22+ ions with ideal K+/UO22+, Na+/UO22+, Ca2+/UO22+, Mg2+/UO22+ and Fe3+/UO22+ selectivity achieving 9210, 8330, 4990, 3040 and 140 on the basis of size-sieving; moreover, obtained membrane enabled rapid and efficient separation of trace amounts of uranium (∼3.0 ppb) from natural seawater with considerable selectivity towards K+/UO22+ (315.0), Na+/UO22+ (314.5), Ca2+/UO22+ (295.0), Mg2+/UO22+ (285.5) and Fe3+/UO22+ (7.1) ion pairs, respectively. Compared with results reported in literature, our membrane displayed the highest screening precision among state-of-the-art nanofiltration membranes, holding great promise for practical uranium separation from seawater.

Exact-Two-Component Complete Active Space Method with Variational Treatment of Magnetic Field and Spin-Orbit Coupling: Application to X-ray Magnetic Circular Dichroism Spectroscopy.

We introduce an exact-two-component complete active space self-consistent-field (X2C-CASSCF) method formulated under the restricted-magnetic-balance condition. This framework allows for the nonperturbative treatment of static magnetic fields using gauge-including atomic orbitals (GIAOs). The GIAO-X2C-CASSCF methodology effectively captures all microstates within the same 2J + 1-degenerate manifold and their splitting in a static magnetic field, which are not accessible through single-reference-based methods. We also present mathematical recursive expressions for evaluating one-electron relativistic integrals by using GIAOs in the presence of a finite magnetic field. Benchmark studies include oxygen and nitrogen K-edge X-ray magnetic circular dichroism spectroscopy (XMCD) for closed-shell organic compounds, as well as L-edge XMCD spectroscopy for the high-spin open-shell transition metal ion Mn2+ and the tetrahedral Mn(II)O46- complex.

Tribochemical behavior of GaN in electro-fenton system base on bimetallic micro-electrolytic catalysts

In the electro-Fenton system, prolonged operation of the electro-Fenton catalyst can lead to the accumulation of significant amounts of Fe3+, resulting in concentration polarization phenomena that inhibit the progression of the electro-Fenton reaction, thereby adversely affecting the chemical mechanical polishing of GaN. This study introduces non-ferrous metal ions (Mn2+/Cu+/Ce3+) into the conventional electro-Fenton system, which primarily utilizes Fe2+ as the catalytic ion. By leveraging the principles of galvanic cells and Fenton-like reactions, we accelerate the electron exchange among different metal ions, thus enhancing the instantaneous concentration rate of electro-Fenton catalytic ions and the oxidation rate of GaN. Through tribological experiments involving GaN, it is evident that bi-metallic micro-electrolytic catalysts achieve a higher catalytic oxidation efficiency compared to their monometallic counterparts. Notably, the combination of Fe2+ and Ce3+ exhibits the most pronounced synergistic effect. This provides valuable insights for the design of composite catalytic media within the electro-Fenton framework.

Hybridizing engineering strategy of decatungstate III: Transition metal modified carbon quantum dot-regulated photo-catalytic oxidation performance of decatungstate

The selective oxidation of hydrocarbons (RH) by dioxygen (O2) is a very important method for industrial production of bulk oxygen-containing compounds, However, due to the high chemical inertness of RH and O2, achieving this reaction under mild conditions still faces significant challenges. This paper discloses an efficient hybridizing engineering (HE) strategy of decatungstate (DT) with 3d transition metal ions (Mn+=Ni2+, Co2+ or Cu2+)-modified carbon quantum dots (Mn+/CQD) as the dopants. Compared to pure CQD, The Mn+/CQD can more efficiently combine with DT anion to fabricate a high-quality hybrid via electrostatic interactions, thereby bestowing the hybrid with an enhanced visible light response especially the separation efficiency of photo-generated charge pairs. Furthermore, the above hybridization effects of Mn+/CQD on DT anion can be fine-tuned and gradually improved with a change of the metal ion from Cu2+, Co2+ to Ni2+, along with a continuous enhancement of the hybrid's photo-catalytic efficiency in the visible light- triggered selective oxidation of ethylbenzene with O2 in acetonitrile. The best Ni2+/CQD-doped TBADT can achieve ca. 48% ethylbenzene conversion and 87.6% acetophenone selectivity in the presence of 2 M HCl, and it also shows a much higher photo-catalytic activity for the photo-oxidation of toluene, cyclohexane and benzyl alcohol compared to pure TBADT. The HE strategy with Mn+/CQD as the cationized hybridizers is much superior to that with pure CQD or Ni2+ as the hybridizer in hoisting the photo-catalytic performance of DT.

Metal Ion-Condensed DNA Nanoparticle Library: Phase Separation and Transition and Antisense Therapy Applications.

DNA condensation has long been investigated as a fundamental cellular activity and is known to be driven by the mediation of diverse condensing agents. The phase behaviors of DNA during condensation are particularly interesting because the complicated molecular structure of natural nucleotides fundamentally allows electrostatic, coordinate covalent, and various other secondary interactions with the condensing agents. Recently, metal ion (Mn+)-induced DNA condensation has emerged as a powerful approach to synthesizing nanoparticulate DNA structures suitable for therapeutic gene delivery. However, how the DNA phase changes during Mn+-induced DNA condensation has rarely been observed and is not understood yet. In this study, a library of Mn+-condensed DNA nanoparticles (Mn+-CDNPs) was established using 30 different types of Mn+s, and their phase behaviors during condensation were elucidated using spherical nucleic acids (SNAs) as electron microscopic labels. Importantly, the phase transition and separation of DNA were demonstrated to be driven by the Mn+s into either the growth of individual DNA particles or the fission of bulky DNA aggregates. Pt2+ and Eu3+ were chosen as model systems for the demonstration. The hard and soft acid nature of Mn+ is presumably the underlying driving force of these phase transitions. In addition, the Mn+-controlled anticancer therapeutic efficiency of the Mn+-CDNP library as a state-of-the-art gene delivery platform was demonstrated even for unmodified antisense oligonucleotides in association with the potential toxicity of the Mn+s released from the Mn+-CDNPs. This comprehensive study of the Mn+-dependent condensation of nucleic acids provides profound insights into the chemistry of the nucleic acid-Mn+ interactions and the reliable theragnostic applications of Mn+-CDNPs as functional nucleic acid nanostructures.

Characterization of a Novel Acid-Stable Chitosanase from Lentinula edodes Suitable for Chitooligosaccharide Preparation

As high-value chitosan derivatives, chitooligosaccharides (COSs) with biodegradable, biocompatible, nontoxic, antimicrobial, and antioxidant activities have been widely applied in food-related fields. Chitosanases can hydrolyze chitosan to produce COSs. Herein, a chitosanase (LeCho1) from Lentinula edodes was successfully expressed in Escherichia coli and was then purified and characterized. LeCho1 had a low sequence identity with other chitosanases reported from the GH75 family. The recombinant protein showed a molecular mass of 27 kDa on SDS-PAGE. LeCho1 preferentially hydrolyzed chitosan with a high degree of deacetylation (DDA) and exhibited maximal activity (71.88 U/mg) towards 95% DDA chitosan at pH 3.0 and 50 °C. It possessed good stability at pH 2.0–6.0 and temperatures below 45 °C. Its hydrolytic activity was remarkably enhanced by the metal ion Mn2+ at 1 mM, while it was totally inhibited by 1 mM Fe3+ or 10 mM EDTA. Its Km and Vmax values were 0.04 μM and 76.81 μmol·min−1·mg−1, respectively, indicating good substrate affinity. LeCho1 degraded chitosan into COSs with degrees of polymerization (DPs) of 2–5, while it had no action on COSs with DPs of less than 5, revealing its endo-chitosanase activity. This study proved that chitosanase LeCho1 is a promising candidate in the industrial preparation of COSs due to its excellent properties.

Preparation, Identification And Biological Activity Of Some Metals Complexes With A New Ligand (4-Nitro-N-((6-Oxo-6,9-Dihydro-1H-Purin-2-Yl)Carbamothioyl)Benzamid)

This study aimed to synthesize and characterize a novel guanine derivative, namely ( 4-nitro-N-((6-oxo-6,9-dihydro-1H-purin-2-yl)carbamothioyl)benzamid) (abbreviated as NPBL4). This compound possesses an intriguing chemical structure, consisting of a guanine moiety (a bicyclic heterocyclic base) linked to a benzamide group through a carbamothioyl linker. The synthesis of this nitrogenous base derivative involved two steps. Firstly 4-nitro-N-thioformylbenzamide was synthesized by reacting 4-nitrobenzoyl chloride with ammonium thiocyanate in acetone. Subsequently, the obtained 4-nitro-N-thioformylbenzamide was reacted with guanine to yield the desired ligand. In addition to the ligand synthesis, the study focused on preparing complexes of various metal ions (Mn+2, Co+2, Ni+2, Cu+2, Zn+2, Cd+2, and Pd+2) with the prepared guanine derivative. The ligand and complexes were subjected to comprehensive characterization using techniques such as infrared spectra, ultraviolet-visible spectra, 1H-NMR, 13C-NMR spectra, elemental analysis (C.H.N.S.), molar conductivity measurement, magnetic susceptibility, atomic absorption, melting point determination, and study the biological activity for the complexes. The results of these characterization studies led to the determination of the general formulas for the prepared complexes, which were found to be [MCl2(NPB)2], where M represents the respective metal ion (Mn+2, Co+2, Ni+2, Cu+2, Zn+2, Cd+2, and Pd+2). Notably, the geometric shape of all the prepared complexes was determined to be an octahedron. In summary, this study successfully synthesized and characterized a novel guanine derivative (NPB) and investigated its complexes with various metal ions. The findings provided valuable insights into the chemical properties and structural features of these compounds.

Improved thermoelectric properties of metal ion doped aniline tetramer/carbon nanotube composite films

Carbon nanotubes and their composites have attracted much attention in the field of thermoelectric conversion for potential application in wearable electronics owing to their good electrical conductivity and excellent mechanical properties. However, low Seebeck coefficient of carbon nanotubes limit the improvement of their thermoelectric properties. In this work, metal ions (Mn+ = Fe3+, Ni2+, Cu2+) are used to further improve the thermoelectric properties of aniline tetramer (ANIT)/single-walled carbon nanotubes (SWCNT) composites, and Mn+@ANIT/SWCNT films are prepared by physical mixing and vacuum filtration method. The metal ions and concentrations for improving Mn+@ANIT/SWCNT thermoelectric films are optimized, and the metal ions doping optimizes carrier concentration and promotes carrier transport of the composites appropriately, which increased the Seebeck coefficient. Amone the prepared Mn+@ANIT/SWCNT films, the Cu2+@ANIT/SWCNT demonstrates the highest PF value of 145.3 ± 3.9 μW m−1 K−2 at the molar ratio of Cu2+/ANIT to being 5:100 with the σ of 560.1 ± 22.1 S cm−1, and the S of 51.0 ± 1.3 μV K−1 at room temperature. Finally, five pairs of p-type Cu2+@ANIT/SWCNT films and n-type copper sheets are connected in series to assemble a self-powered thermoelectric device, which demonstrates an actual output power of about 426 nW under a temperature difference of 50 K. Therefore, this work offers a metal ions doping strategy to improve the SWCNT composites with enhanced thermoelectric properties.

Synthesis, morphological and optical properties impact on transition metal ion (Co and Mn)-doped barium strontium titanate (BST) ferroelectric ceramics towards enhanced optoelectronic device applications

Synthesis, morphological and optical properties impact on transition metal ion (Co and Mn)-doped barium strontium titanate (BST) ferroelectric ceramics towards enhanced optoelectronic device applications

The crystal engineering of 3d-metal with two tetrazole-phenyl-carboxylate linkers and multiple post-synthetic metal exchange

Ligand with mixed-groups contributes to the construction of special structure motif with novel properties, yet it is challenging to understand and regulate the competitive coordination of different functional groups toward metal ions. Herein, the crystal engineering for MOF construction from two linear di-topic linkers of 4-(1H-tetrazol-5-yl)benzoic acid (H2tzba) and the longer 4′-(1H-tetrazol-5-yl)-[1,1′-biphenyl]-4-carboxylic acid (H2tzbba) featuring dual groups of phenyl-carboxylate and tetrazole, with three typical 3d metal ions (Mn2+, Fe2+ and Zn2+) were investigated. A series of five new MOFs, that are [Mn3(tzba)3(dmf)4]·11dmf (1, dmf = N,N-Dimethylformamide), [Mn(tzba)(H2O)] (2), [Zn2(tzba)2(dmf)]·0.5dmf (3), [Fe2(tzba)2(dmf)]·0.5dmf (4) and [Zn2(tzbbz)(gac)(dmf)2]·1.5dmf (5), were synthesized under solvothermal reactions. The modified solvent template and temperature effects lead to 3D framework of 1 (dmf solution under 433 K) with [Mn3(tz)3(COO)3] nodes and 1D hexagonal channels, while the 2 (water solution under 373 K) posssesses compact pillared-layer motif from [Mn2(tz)2] nodes. Under changed metal salt reactents but same solvent of dmf, the generated 3 and 4 have isoreticular and porous pillared-layer structure constituted of [M2(COO)2] nodes. The use of tzbba coupled with a crucial auxiliary ligand of glycollic acid, leads to 5 as porous pillared-layer MOFs with 1D rounded channels. The porous flexible skeleton of 1 constructed from [Mn3] node with four coordinated dmf facilitates post-synthetic metal exchange of the Mn2+ by radius similar metal ions following priority of Cu2+ < Zn2+ < Ni2+< Co2+, with maximum exchange percentage ranging from 17 % to 69 %. Time dependent ICP-AES analysis revealed the quite wide feasible solvents for post-synthetic metal exchange, as well as the fine control on substituting degree based on soaking temperature and time. Particularly, the compatible introduce of four different metal ions support the potential of preparing bi-, tri-, tetra- and penta- metal MOF crystals, that can not be obtained by traditional solvothermal reactions.

Precise tuning of porphyrin self-assembly and photo-activated antimicrobial activity via metal ion coordination

Bacterial drug resistance has emerged as a significant threat to global human health, prompting the need for alternative antimicrobial strategies. Photodynamic therapy (PDT) has garnered widespread attention as a promising antimicrobial approach that circumvents the issue of bacterial resistance. Porphyrin is a class of photosensitizers with promising potential. In this study, we utilized the strategy of precise tuning of self-assembly of porphyrin through the coordination of metal ions to achieve the efficient and selective photo-activated antimicrobial. Typically, the selected porphyrin (TPPS4) serves as the foundation for an investigation into the role of metal ions (Mn+) as regulatory agents. The coordination of various metal ions (Bi3+, Ca2+, Zn2+, and Mn2+), with TPPS4 results in differentiated molecular stacking, which in turn affects the morphology of the self-assembled structures and their capacity to generate reactive oxygen species (ROS), ultimately leading to varied antimicrobial activities. The study found that the antibacterial capability of the system is positively correlated with its ability to generate reactive oxygen species (TPPS4-Bi ≈ TPPS4-Ca > TPPS4 >TPPS4-Zn >TPPS4-Mn). This work paves the way for the development of novel photodynamic antimicrobial agents that are both highly potent and minimally toxic, offering a significant advancement in the field of antimicrobial therapy.

Selective Separation of Lithium from Leachate of Spent Lithium-Ion Batteries by Zirconium Phosphate/Polyacrylonitrile Composite: Leaching and Sorption Behavior

This study introduces a straightforward and effective amorphous ZrP/polyacrylonitrile composite ion exchange method for separating Li from the leachate of spent Li-ion batteries (NMC 111). The cathode materials were leached with a series of optimized experiments. The influence of operating variables, including the H2SO4 concentration, temperature, H2O2 concentration, and pulp density, on leaching efficiency was examined to determine the optimal conditions for sorption experiments. The leaching efficiencies of Li, Co, Ni, and Mn were found to be 99.9%, 99.5%, 98.8%, and 99.9%, respectively. Subsequently, batch sorption experiments were performed by using am-ZrP/PAN, including the determination of the effect of pH, sorption kinetics, and the sorption isotherm. The effect of pH on adsorption was examined in 1 mmol/L equimolar solutions of Li, Ni, Mn, and Co. Li was separated from Mn, Co, and Ni in the leaching liquor. The adsorbent for Mn, Co, and Ni sorption better fitted pseudo-second-order kinetics. High selectivity for Li was observed, even at the higher solution concentration of 15 mM Li, Ni, Co and Mn. In addition, the column loading process demonstrated selectivity for Li over Co, Ni, and Mn metal ions. The preliminary evaluation of the whole process with mass flow demonstrated that it would be feasible to achieve full separation and metal recovery by integrating a combined hydrometallurgical method in future studies. However, much work is still needed to develop a practical separation flowsheet.

Synthesis, Characterisation and Biological Evaluation of Metal Complexes from Thiosemicarbazone

A new azo schiff base ligand, together with its metal complexes,was synthesized and characterized from a thiosemicarbazid moiety. The title (E)-2-((2-hydroxy-3-((E)-(3-nitrophenyl)diazenyl)naphthalen-1-yl)methylene)hydrazine-1-carbothioamide)(HL),was synthesized by reacting((-2-hydroxy-3-((3-nitrophenyl)diazenyl) withan thiosemicabazide in a 1:1 molar ratio,HL interacted with different metal ions (Cr,Mn,Co,Ni and Cu) to from monomerci coordination complexes .Arsng of spectroscopic and analytical techniques ,including conductance studies, H1 and C13-NMR,FT-IR, electronic and mass spectroscopy,magnetic susceptibility,and elemental micro-analysis,were used to extensivety characterize these complexes.Coordinate compounds with four and six-coordinate geometries were confirmed to from based on the characterization data .

Theoretical Analysis of Coordination Geometries in Transition Metal-Histidine Complexes Using Quantum Chemical Calculations.

A theoretical investigation utilizing density functional theory (DFT) calculations was conducted to explore the coordination complexes formed between histidine (His) ligands and various divalent transition metal ions (Mn2+, Fe2+, Co2+, Ni2+, Cu2+, and Zn2+). Conformational exploration of the His ligand was initially performed to assess its stability upon coordination. Both 1:1 and 1:2 of metal-to-ligand complexes were scrutinized to elucidate their structural features and the relative stability of the complexes. This study examined the ability of His to act as a bidentate or tridentate coordinating ligand, along with the differences in coordination geometry when solvent effects were incorporated. The reduced density gradient (RDG) analysis and local electron attachment energy (LEAE) analysis were employed to elucidate the interaction planes and the nucleophilic and electrophilic properties. The electronic properties were analyzed through electrostatic potential (ESP) maps and natural population analysis (NPA) of atomic charge distributions. This computational study provides valuable insights into the diverse coordination modes of His and its interactions with divalent transition metal ions, contributing to a better understanding of the role of this amino acid ligand in the formation of transition metal complexes. The findings can aid in the design and construction of self-assembled structures involving His-metal coordination.

Enhanced n-Type Thermoelectric Properties and Structure Evolution of Carbonized Metal-Coordination Polydopamine.

Carbonized polydopamine (cPDA) exhibits a nitrogenous graphite-like structure with n-type semiconductor property. However, the low electrical conductivity and Seebeck coefficient of cPDA cannot meet the needs of flexible thermoelectric devices. In this study, a series of metal ions were coordinated with cPDA to enhance n-type thermoelectric properties. At 300 K, all metal-coordination cPDA (metal-cPDA) samples obtain lower thermal conductivity compared to cPDA. Mn-cPDA exhibits the greatest Seebeck coefficient of -25.94 μV K-1, which is almost six times higher than cPDA. Fe-cPDA shows the best electrical conductivity of 2.45 × 105 S m-1. An optimal power factor (PF) value of 11.93 μW m-1 K-2 is achieved in Ca-cPDA with the enhanced electrical conductivity of 9.5 × 104 S m-1 and Seebeck coefficient of -11.24 μV K-1. Using Fourier transform infrared spectroscopy (FTIR), energy dispersive X-ray spectroscopy (EDX), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, X-ray diffraction (XRD), and transmission electron microscopy (TEM), we revealed the structural characterization of metal-cPDA. Our results indictate that the different metal ions (Mn2+, Zn2+, Mg2+, Al3+, Ca2+, and Fe3+) exert varying influences on the growth of graphite-like structure within metal-cPDA, which lead to the evolution of electrical conductivity. We observe that the carrier density and carrier mobility depend on both the degree of graphitization and the metal-ion coordination, which work together on electrical conductivity and Seebeck coefficient. These findings and understanding of the thermoelectric properties of PDA-based materials will help to realize high-performance n-type thermoelectric materials for flexible electronic device applications.

Determination of GaN nanosensor for scavenging of toxic heavy metal ions (Mn2+, Zn2+, Ag+, Au3+, Al3+, Sn2+) from water: Application of green sustainable materials by molecular modeling approach

Gallium nitride nanocage (GaN_NC) can select toxic heavy metals from water. Therefore, it has been found a selective competition for metal cations in the GaN_NC. The electromagnetic and thermodynamic attributes of heavy metals cations-trapped gallium nitride nanocage (GaN_NC) was depicted by material modeling. The data display that heavy metals cations-trapped in the GaN_NC system are resistant materials, with the firm adsorption zone in the center of the cage. Furthermore, charge transfer from GaN_NC to the heavy metals cations demonstrates clear n-type adsorbing manner. The encapsulation of heavy metals cations occurs via chemisorption. In this article, the behavior of trapping of heavy metal ions of Mn2+, Zn2+, Ag+, Au3+, Al3+ and Sn2+ by gallium nitride nanocone for sensing the water metal cations was observed. The nature of covalent features for these complexes has represented the analogous energy amount and vision of the PDOS for the p states of N and d states of heavy metal cations of Mn2+, Zn2+, Ag+, Au3+, Al3+ and Sn2+ through water treatment. The partial density of states (PDOS) can also evaluate an appointed charge group between Mn2+, Zn2+, Ag+, Au3+, Al3+, Sn2+ and GaN_NC which indicate the most stable complex of metallic visage and a certain degree of covalent specifications between heavy metals cations and gallium nitride nanocage. Furthermore, the NMR analysis indicated the notable peaks surrounding metal elements of Mn2+, Zn2+, Ag+, Au3+, Al3+ and Sn2+ through the trapping in the GaN_NC during ion detection and removal from water; however, it can be seen some fluctuations in the chemical shielding treatment of isotropic and anisotropy tensors. Based on the results in this research, the selectivity of metal ion adsorption by gallium nitride nanocage (ion sensor) has been approved as: Ag+ ˃ Au3+ ˃ Mn2+ ≫ Zn2+ ˃ Sn2+ ˃ Al3+. Using quantum theory of atoms in molecules (QTAIMs) method, intermolecular interactions and corresponding parameters at critical bonding points were also investigated.

Immobilization of a novel d-allulose 3-epimerase from Bacillus cihuensis within metal-organic frameworks

As a functional low-calorie sugar, d-allulose demonstrates significant potential for applications in the food industry. Ketose 3-epimerases (KE) catalyzing the epimerization of d-fructose into d-allulose, play a critical role in the production of d-allulose. Majority of the reported KE exhibited maximum activity at high temperatures (60–70 °C) and pH (7.5–8.0) with metal ions (Mn2+ or Co2+), resulting in browning reaction and complex processes (adjusting pH of fructose solution, removing heavy metal ions, etc.) in allulose production. In this study, a novel d-allulose 3-epimerase from B. cihuensis (BcDAE) was identified and characterized. The BcDAE showed maximum activity at 40–50 °C and pH 7.0, alongside exhibiting board pH tolerance in weakly acidic environments. As a mesophilic enzyme, BcDAE could provide advantages by mitigating browning reactions of substrate and product, minimizing by-product formation, and reducing energy consumption during production. Robustness in acidic environments of BcDAE might renders the enzyme well-suited for fructose conversion without pH adjustments. Considering the poor thermostability and dependence on Mn2+ of BcDAE, the enzyme was captured in Mn-BTC MOF material using a straightforward co-precipitation method. The MOF-based enzyme was subsequently encapsulated to form micrometer-sized immobilized enzyme PDA@BcDAE@Mn-BTC using polydopamine as the cross-linker. Metal ions are not required in the reaction using the immobilized BcDAE. Significantly, after 10 repeated usage cycles, the immobilized BcDAE maintained a relative enzyme activity exceeding 70%, surpassing the performance of other reported immobilized DAE within MOF. Furthermore, comprehensive characterization of the immobilized BcDAE confirmed the success and feasibility of the immobilization strategy.

Influence of metal ions (Me: Fe, Cu, Co, Ni, Mn, Cr) on direct Z-scheme photocatalysts CN/Me-BTC on the degradation efficiency of tetracycline in water environment

BackgroundThe World Health Organization (WHO) reports that antibiotic resistance contributes to approximately 700,000 deaths yearly, with estimate suggesting a rise to 10 million deaths over the next 35 years. MethodsIn this study, direct Z-scheme heterojunction photocatalysts CN/Me-BTC (CN: graphite carbon nitride, Me: metal ions, BTC: benzene-1,3,5-tricarboxylic acid) were successfully synthesized using a hydrothermal combined microwave method, eliminating the need for toxic solvents and featuring a short crystallization time and low reaction temperature. Significant findingsThe study also explores the influence of various metal ions (Fe, Ni, Co, Mn, Cr, and Cu) on the morphological, physicochemical properties, and photocatalytic efficiency of tetracycline (TC) degradation. The CN/Me-BTC photocatalysts exhibit remarkable characteristics, including high visible light absorption, high surface area, low recombination rate between electrons and holes, and fast charge transfer ability.Among the synthesized photocatalysts, CN/FeBTC stands out with the highest efficiency in TC degradation (97.18 %) and degradation rate (decay constant k = 0.0197 min−1), surpassing CN by four times. The study comprehensively investigates factors influencing the TC degradation process, including catalyst mass, pH, antibiotic concentration, participating radicals, anions, and water sources. The mechanism of the photocatalytic process is elucidated based on radical quenching experiments and electrochemical properties.