Enhanced adsorption and removal of Cd(II) from aqueous solution by amino-functionalized ZIF-8.

Zeolite imidazolate framework-8 (ZIF-8), which is a special subgroup of metal-organic frameworks (MOFs), was synthesized and modified by ethylenediamine (ZIF-8-EDA) to prepare an efficient adsorbent for the high sorption of Cd2+ ions from solution. The synthesized and modified ZIF-8 (ZIF-8-EDA) were characterized by X-ray diffraction (XRD), Fourier-transform infrared (FT-IR) spectroscopy, Brunauer-Emmett-Teller (BET), field emission scanning electron microscopy (FE-SEM) with energy dispersive spectroscopy (EDS), and transmission electron microscopy (TEM) analysis. The optimum conditions for dosage of adsorbent, initial ion concentration, pH, and contact time were 0.05 g/l, 50 mg/l, 6, and 60 min, respectively, for cadmium ion sorption from aqueous solutions with a removal efficiency of 89.7% for ZIF-8 and 93.5% for ZIF-8-EDA. Adsorption kinetics and equilibrium data were analyzed using the Langmuir and Freundlich equations. The Langmuir model fitted the equilibrium data better than the Freundlich model. According to the Langmuir equation, the maximum uptake for the cadmium ions was 294.11(mg/g). The calculated thermodynamic parameters (ΔG°, ΔH°, and ΔS°) indicated that the adsorption process was feasible, spontaneous, and endothermic at 20-50 °C. Based on the results, the amino functionalized ZIF-8 had improved adsorption performance due to the replacing of the starting linker with organic ligands that had effective functional groups, leading to chemical coordination due to the interaction of metal ions with the non-bonding pair of electrons on the N atoms of the amino functional group. The selectivity toward metal ion adsorption by ZIF-8-EDA was Cd2+ > Pb2+ > Ni2+ .

Dual Antimicrobial-Anticancer Potential, Hydrolysis, and DNA/BSA Binding Affinity of a Novel Water-Soluble Ruthenium-Arene Ethylenediamine Schiff base (RAES) Organometallic.

The need for a systematic approach in developing new metal-based drugs with dual anticancer-antimicrobial properties is emphasized by the vulnerability of cancer patients to bacterial infections. In this context, a novel organometallic assembly was designed, featuring ruthenium(II) coordination with p-cymene, one chlorido ligand, and a bidentate neutral Schiff base derived from 4-methoxybenzaldehyde and N,N-dimethylethylenediamine. The compound was extensively characterized in both solid-state and solution, employing single crystal X-ray diffraction, nuclear magnetic resonance, infrared, ultraviolet-visible spectroscopy, and density functional theory, alongside Hirshfeld surface analysis. The hydrolysis kinetic was thoroughly investigated, revealing the important role of the chloro-aqua equilibrium in the dynamics of binding with deoxyribonucleic acid and bovine serum albumin. Notably, the aqua species exhibited a pronounced affinity for deoxyribonucleic acid, engaging through electrostatic and hydrogen bonding interactions, while the chloro species demonstrated groove-binding properties. Interaction with albumin revealed distinct binding mechanisms. The aqua species displayed covalent binding, contrasting with the ligand-like van der Waals interactions and hydrogen bonding observed with the chloro specie. Molecular docking studies highlighted site-specific interactions with biomolecular targets. Remarkably, the compound exhibited wide spectrum moderate antimicrobial activity against Staphylococcus aureus, Pseudomonas aeruginosa, and Candida albicans, coupled with low micromolar cytotoxic activity against human colorectal adenocarcinoma cells and significant activity against human leukemic monocyte lymphoma cells. The presented findings encourage further development of this compound, promising avenues for its evolution into a versatile therapeutic agent targeting both infectious diseases and cancer.

Co and Co3O4 in the Hydrolysis of Boron-Containing Hydrides: H2O Activation on the Metal and Oxide Active Centers.

This work focuses on the comparison of H2 evolution in the hydrolysis of boron-containing hydrides (NaBH4, NH3BH3, and (CH2NH2BH3)2) over the Co metal catalyst and the Co3O4-based catalysts. The Co3O4 catalysts were activated in the reaction medium, and a small amount of CuO was added to activate Co3O4 under the action of weaker reducers (NH3BH3, (CH2NH2BH3)2). The high activity of Co3O4 has been previously associated with its reduced states (nanosized CoBn). The performed DFT modeling shows that activating water on the metal-like surface requires overcoming a higher energy barrier compared to hydride activation. The novelty of this study lies in its focus on understanding the impact of the remaining cobalt oxide phase. The XRD, TPR H2, TEM, Raman, and ATR FTIR confirm the formation of oxygen vacancies in the Co3O4 structure in the reaction medium, which increases the amount of adsorbed water. The kinetic isotopic effect measurements in D2O, as well as DFT modeling, reveal differences in water activation between Co and Co3O4-based catalysts. It can be assumed that the oxide phase serves not only as a precursor and support for the reduced nanosized cobalt active component but also as a key catalyst component that improves water activation.

Novel ethylenediamine-ß-cyclodextrin grafted membranes for the chiral separation of mandelic acid and its derivatives.

In the present study, flat cellulose acetate ultrafiltration membranes were prepared first by nonsolvent induced phase separation method. Then chiral membranes for separating the enantiomers were prepared by grafting the ultrafiltration membranes using ethylenediamine-ß-cyclodextrin as the chiral selector and epichlorohydrin as the spacer arm. The pure water permeability of the ultrafiltration membrane was around 115 L·m-2·h-1·bar-1. The properties of the chiral membranes were characterized using infrared spectroscopy (ATR-FTIR), X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy (SEM). The chiral membrane performance in enantiomer separation was evaluated with racemates, such as mandelic acid (MA), 2-chloromandelic acid (2-ClMA), 4-chloromandelic acid (4-ClMA), and methyl mandelate (MM). The influence of feed concentration on the separation efficiency was also investigated. The results indicated that the enantiomeric excess percentages (e.e%) of the racemic mixtures for these four chiral compounds were up to 31.8%, 25.4%, 17.8%, and 32.6%, respectively. The binding free energy of the chiral selector with the (S)-enantiomer calculated by molecular dynamics simulations was stronger than that with the (R)-enantiomer, which was consistent with the experimental results (higher concentration of (R)-enantiomer in the permeate). This supports the affinity absorption-separation mechanism.

Dietary ethylenediamine dihydroiodide mitigated Escherichia coli O78-induced immune and intestinal damage of ducks via suppression of NF-κB signal.

This study investigated the effect of Ethylenediamine dihydroiodide (EDDI) on growth performance, immune function and intestinal health of meat ducks challenged with Avian pathogenic Escherichia coli (APEC). A total of 360 one-day-old Cherry Valley ducks with similar body weight were randomly allocated to 6 treatments (6 floor cages, 10 birds/cage). A 3 × 2 factor design was used with 3 dietary iodine levels (0, 8, 16 mg/kg in the form EDDI and whether APEC was challenged or not at 7-day-old ducks. The feeding period lasted for 20 d. The results showed that the addition of EDDI reduced APEC-induced decrease of the 20-d weight loss of meat ducks (P < 0.05), and alleviated the inflammatory response of liver tissue induced by APEC challenge in meat ducks. In terms of immune function, EDDI supplementation reduced the immune organ index and increased the immune cell count of meat ducks, reduced the level of endotoxins in the serum of meat ducks (P < 0.05), as well as inhibited the expression levels of liver and spleen inflammatory factors and TLR signaling pathway related genes induced by APEC (P < 0.05). In terms of intestinal health, EDDI inhibited APEC-induced decreases in ZO-3 genes expression and increases in IL-1ß and TNF-α expression, increased relative abundance of beneficial bacteria in the cecum and content of metabolites. Pearson correlation analysis showed that there was a significant correlation between liver inflammatory factors and TLR4 signaling pathway genes, and there might be a significant correlation between intestinal microbial flora and other physiological indexes of meat ducks, which indicated that EDDI could reduce the damage to immune function and intestinal health caused by APEC challenge through regulating the structure of intestinal flora. Collectively, our findings suggest that the EDDI can promote growth performance, improve immune function and the intestinal barrier in APEC-challenged meat ducks, which may be related to the suppression of NF-κB signal.

Colorimetric Indicator Based on Gold Nanoparticles and Sodium Alginate for Monitoring Fish Spoilage.

In this work, a colorimetric indicator based on gold nanoparticles (AuNP) and a biodegradable and eco-friendly polymer (sodium alginate, Alg.), was developed for the real-time detection of fish spoilage products. The AuNPs and the colorimetric indicator were characterized using UV-VIS, FTIR spectroscopies, TGA, DSC, XRD, TEM, and colorimetry. The UV-VIS spectrum and TEM showed the successful synthesis, the spherical shape, and the size of AuNPs. The results indicated color changes of the indicator in packaged fish on day 9 of storage at a refrigerated temperature (5 °C. These results showed the successful application of the colorimetric indicator in the detection of TVB-N in packaged fish.

[Effect of EDDS Application on Soil Cu/Cd Availability and Uptake/transport by Castor].

To investigate the effect of chelating agents on plant uptake of heavy metals, castor (Ricinus communis L.) was used as the test plant. Soil culture and pot experiments were conducted to study the effects of different concentrations of ethylenediamine disuccinic acid (EDDS) on the forms of Cu and Cd in soil and their absorption and transport by castor. The results showed that the application of EDDS significantly increased the content of available Cu and Cd. After 15 days of cultivation, the available Cu and Cd concentrations in the soil increased by 43.01%-103.55% and 51.78%-69.43%, respectively. EDDS promoted the conversion of reducible Cu to weak acid extractable and increased the mobility of Cu. Meanwhile, the application of EDDS promoted the absorption, transport, and enrichment of Cu in castor. Under the application of 2.5 mmol·kg-1 EDDS and 5.0 mmol·kg-1 EDDS, the Cu concentrations in the shoots were 4.88 times and 16.65 times higher than that of the control (P< 0.05), and the Cu concentrations in the roots were 2.89 times and 3.60 times higher than that of the control (P< 0.05), respectively. The Cu transport coefficient significantly increased by 72.73% and 381.82% when treated with EDDS 2.5 and EDDS 5.0. Simultaneously, the phytoextraction of Cu in shoots, roots, and their sum were 14.08, 2.16, and 4.70 times higher than that of the control (P<0.05), respectively, when treated with EDDS 5.0. Furthermore, EDDS significantly increased the Cd concentrations in castor. When treated with EDDS 2.5 the shoots and roots increased by 15.15% and 57.42%, respectively, and the phytoextraction of total Cd significantly increased by 13.44%. Generally, the EDDS treatment could increase the available Cu and Cd in soil, promote the uptake of Cu and Cd, and improve the phytoremediation efficiency of castor. Among them, the addition of 5.0 mmol·kg-1 EDDS had the best effect for Cu, whereas the addition of 2.5 mmol kg-1 EDDS had a higher increase in the phytoextraction of Cd.

Ethylenediamine modulate bonding interaction of solvation structure for wide-temperature aqueous ammonium-ion capacitor.

Aqueous ammonium-ion capacitors (AAICs) are promising for large-scale energy storage owing to low cost and inherent safety, while their practical applications are suffered from performance under extreme environment. Low ion conductivity and high viscosity, as well as freezing of the electrolyte, are the main issues for the electrochemical performance failure at low temperatures. In this work, the AAICs were assembled with commercial carbon electrodes and antifreeze electrolyte, where the electrolyte with a freezing point lower than -115 °C is developed by using Ethylenediamine (EDA) as an additive with a volume ratio of 50 % to an aqueous solution of 0.5 M NH4Cl. This antifreeze electrolyte displays a superior ionic conductivity of 8.58 mS cm-1 and a weaker viscosity of 8.16 mPa s at low temperatures. Furthermore, the spectroscopic investigations and molecular dynamics (MD) simulations demonstrate that the addition of EDA can break the hydrogen bonds of water molecules and modulate the solvation structure. Therefore, the assembled AAICs with electrolytes of 0.5 M NH4Cl (50 %-EDA) could be operated at wide-temperature conditions steadily, exhibiting excellent capacity, rate performance and good cycling stability. This work provides a simple and effective strategy for wide-temperature energy storage devices.

Effect of Nitrogen Dopant Agents in the Performance of Graphene-Based Cathodes for Li-S Batteries.

Lithium-sulphur (Li-S) batteries offer high energy density compared to lithium-ion batteries, emerging as a promising technology for the next generation of energy storage systems. The ongoing challenge is to improve their electrochemical performance, extend their useful life and mitigate some problems that persist in this technology, by the investigation in materials with diverse properties. This work seeks to elucidate the importance and repercussions associated with functionalisation of graphene-based materials through nitrogen incorporation (more than 9 wt.% N), employing different chemical agents such as ethylenediamine and ammonia. Herein, differences in both the textural properties and the chemical environment of nitrogen within the carbonaceous network are identified, resulting in distinct electrochemical behaviours. The electrochemical performance of electrodes prepared from ammonia-functionalised samples surpasses that of ethylenediamine-functionalised samples in terms of both efficiency and rate performance. Conversely, the ethylenediamine-functionalised samples excel in stability, showing exceptional values in capacity retention per cycle. The outcomes exceeded expectations in energy performance, allowing the Li-S cells to be subjected to ultra-high rate cycling while maintaining appropriate capacity values.

A new tannin-based adsorbent synthesized for rapid and selective recovery of palladium and gold: Optimization using central composite design.

A tannin-based adsorbent was synthesized by pomegranate peel tannin powder modified with ethylenediamine (PT-ED) for the rapid and selective recovery of palladium and gold. To characterize PT-ED, field emission scanning electron microscopy (FE-SEM), energy-dispersive X-ray spectroscopy (EDS-Mapping), and Fourier transform infrared spectroscopy (FT-IR) were used. Central composite design (CCD) was used for optimization. The kinetic, isotherm, interference of coexisting metal ions, and thermodynamics were studied. The optimal conditions, including Au (III) concentration = 30 mgL-1, Pd (II) concentration = 30 mgL-1, adsorbent mass = 26 mg, pH = 2, and time = 26 min with the sorption percent more than 99 %, were anticipated for both metals using CCD. Freundlich model and pseudo-second-order expressed the isotherm and kinetic adsorption of the both metals. The inhomogeneity of the adsorbent surface and the multi-layer adsorption of gold and palladium ions on the PT-ED surface are depicted by the Freundlich model. The thermodynamic investigation showed that Pd2+ and Au3+ ions adsorption via PT-ED was an endothermic, spontaneous, and feasible process. The maximum adsorption capacity of Pd2+ and Au3+ ions on PT-ED was 261.189 mgg-1 and 220.277 mgg-1, respectively. The probable adsorption mechanism of Pd2+ and Au3+ ions can be ion exchange and chelation. PT-ED (26 mg) recovered gold and palladium rapidly from the co-existing metals in the printed circuit board (PCB) scrap, including Ca, Zn, Si, Cr, Pb, Ni, Cu, Ba, W, Co, Mn, and Mg with supreme selectivity toward gold and palladium. The results of this work suggest the use of PT-ED with high selectivity and efficiency to recover palladium and gold from secondary sources such as PCB scrap.

Analytical determination of ethylenediamine impurity in tripelennamine hydrochloride by gas chromatography-mass spectrometry using phthalaldehyde as the derivatizing agent.

In the pharmaceutical industry, effective risk management and control strategies for potential genotoxic impurities are of paramount importance. The current study utilized GC-MS to evaluate a precise, linear, and accurate analytical method for quantifying ethylenediamine present in tripelennamine hydrochloride using phthalaldehyde as a derivatizing agent. When phthalaldehyde is sonicated for 10 min at room temperature, it reacts with ethylenediamine to form (1z,5z)-3,4-dihydrobenzo[f][1,4]diazocine. This approach minimizes matrix interference issues and resolves sample preparation difficulties encountered during ethylenediamine identification in GC-MS. In this method, helium serves as the carrier gas, while methanol acts as the diluent. The stationary phase consists of a DB-5MS column (30 m × 0.25 mm × 0.25 µm) with a flow rate of 1.5 mL/min. The retention time of (1z,5z)-3,4-dihydrobenzo[f][1,4]diazocine was determined to be 6.215 min. The method validation demonstrated limits of detection and quantification for (1z,5z)-3,4-dihydrobenzo[f][1,4]diazocine at 0.4 and 1.0 ppm, respectively, with a linearity range spanning from 1 to 30 ppm concentration with respect to the specification level. System suitability, precision, linearity, and accuracy of the current method were assessed in accordance with guidelines, yielding results deemed suitable for the intended use.

Ethylenediamine Salt Enhances the Solubility and Dissolution of Flurbiprofen.

Drugs that are poorly soluble in water are difficult to absorb orally, resulting in low bioavailability. Flurbiprofen (FLU) is an arylpropionic acid nonsteroidal anti-inflammatory drug belonging to BCS class II, with low water solubility. In this study, a novel flurbiprofen-ethylenediamine salt (FLU-EDA) was successfully prepared via solvent crystallization. Its crystal structure was determined via single-crystal X-ray diffraction (SXRD). Further, the physicochemical properties of FLU-EDA salt were characterized by powder X-ray diffraction (PXRD), differential scanning calorimetry (DSC), and Fourier transform infrared spectroscopy (FT-IR). The solubility and intrinsic dissolution rate (IDR) of FLU-EDA salt in water were investigated. The results showed that compared with FLU, the solubility and IDR of FLU-EDA salt increased by 57-fold and 32-fold, respectively. This indicates that FLU-EDA salt can significantly enhance the solubility and dissolution rate of flurbiprofen in water. This study provides basic data and theory for the development of new formulations of flurbiprofen.

Anti-inflammatory and antioxidant activity of elemental sulfur-derived sustainable sulfur quantum dots.

Sulfur quantum dots (SQDs) are attracting increasing attention in the biomedical field due to their unique properties, such as antibacterial activity, free radical scavenging potential, optical properties, biocompatibility, and non-toxicity. Ethylenediamine passivated SQDs (ED-SQDs) were synthesized using a hydrothermal method. Cytotoxicity evaluation of ED-SQDs on RAW264.7 cells showed more than 90% cell viability even at 500 µg/mL of ED-SQDs, with an established IC50 value of 880.9 µg/mL. In addition, ED-SQDs showed potent antioxidant activity in vitro, effectively scavenging ABTS and DPPH free radicals at concentrations below 100 µg/mL, comparable to ascorbic acid. ED-SQD reduced lipopolysaccharide (LPS)-induced nitric oxide and reactive oxygen species in macrophages, lowered pro-inflammatory cytokines, and inactivated LPS-activated STAT3. In addition, ED-SQD increased nuclear NRF2 and the expression of genes encoding antioxidant enzymes in LPS-stimulated cells. These results reveal the antioxidant and anti-inflammatory potential of ED-SQDs at non-toxic concentrations, providing evidence for their potential anti-inflammatory applications.

Sensitization to ethylenediamine dihydrochloride in patients with contact dermatitis in northeastern Italy from 1996 to 2021.

BACKGROUND: Ethylenediamine dihydrochloride is a versatile aliphatic amine found in numerous medications and industrial compounds and is a known sensitiser. The sensitization prevalence is affected by geographical and socio-cultural factors. OBJECTIVES: The objectives are to analyse the temporal trend of sensitization to ethylenediamine dihydrochloride in northeastern Italy and to investigate associations with occupations. METHODS: Between 1996 and 2021, 30 629 patients with suspected allergic contact dermatitis were patch tested with the Triveneto baseline series. Individual characteristics were collected through a standardised questionnaire. RESULTS: The overall prevalence of ethylenediamine dihydrochloride sensitization was 1.29% with percentages similar in both sexes. We observed a significant decreasing trend over time (p < 0.001), yielding a sensitization prevalence <1% in recent years. Among departments, residence in Pordenone area was protective for sensitization. No significant associations were observed with specific occupations. We found significant associations between ethylenediamine dihydrochloride sensitization and being 26-35 years old (odds ratio [OR], 1.47; 95% confidence interval [CI]: 1.05-2.08), and sensitization for many haptens, such as paraben mix (OR, 5.3; 95% CI: 3.3-8.5), epoxy resin (OR, 5.1; 95% CI: 3.0-8.7), neomycin sulphate and mercaptobenzothiazole. CONCLUSIONS: Our study showed a downward time trend of ethylenediamine dihydrochloride sensitization in northeastern Italian population and pointed to an update of the Triveneto baseline series.

Surfactant-assisted dilute ethylenediamine fractionation of corn stover for technical lignin valorization and biobutanol production.

In this study, a surfactant-assisted diluted ethylenediamine (EDA) fractionation process was investigated for co-generation of technical lignin and biobutanol from corn stover. The results showed that the addition of PEG 8000 significantly enhanced cellulose recovery (88.9 %) and lignin removal (68.9 %) in the solid fraction. Moreover, the pulp achieved 86.5 % glucose yield and 82.6 % xylose yield in enzymatic hydrolysis. Structural characterization confirmed that the fractionation process promoted the preservation of active ß-O-4 bonds (35.8/100R) in isolated lignin and functionalized the lignin through structural modification using EDA and surfactant grafting. The enzymatic hydrolysate of the pulps yielded a sugar solution for acetone-butanol-ethanol (ABE) fermentation, resulting in an ABE concentration of 15.4 g/L and an overall yield of 137.2 g/Kg of dried corn stalk. Thus, the surfactant-assisted diluted EDA fractionation has the potential to enhance the overall economic feasibility of second-generation biofuels production within the framework of biorefinery.

Dual-Proton Conductor for Fuel Cells with Flexible Operational Temperature.

The properties of proton conductors determine the operating temperature range of fuel cells. Typically, phosphoric acid (PA) proton conductors exhibit excellent proton conductivity owing to their high proton dissociation and self-diffusion abilities. However, at low temperatures or high current densities, water-induced PA loss causes rapid degradation of cell performance. Maintaining efficient and stable proton conductivity within a flexible temperature range can significantly reduce the start-up temperature of PA-doped proton exchange membrane fuel cells. In this study, a dual-proton conductor composed of an organic phosphonic acid (ethylenediamine tetramethylene phosphonic acid, EDTMPA) and an inorganic PA is developed for proton exchange membranes. The proposed dual-proton conductor can operate within a flexible temperature range of 80-160 °C, benefiting from the strong interaction between EDTMPA and PA, and the enhanced proton dissociation. Fuel cells with the EDTMPA-PA dual-proton conductor showed excellent cell stability at 80 °C. In particular, under the high current density of 1.5 A cm-2 at 160 °C, the voltage decay rate of the fuel cell with the dual-proton conductor is one-thousandth of that of the fuel cell with PA-only proton conductor, indicating excellent stability.

Wood aerogels decorated amino-functionalized MIL-101(Cr) as efficient filter for multistage purification of wastewater.

Exploring novel water purifier to efficiently remove heavy metal ions from the wastewater is of vital importance. Inspired by the hierarchical structure of natural wood and the chelation of amino group, a high-efficiency water purifier with ethylenediamine functionalized MIL-101(Cr) octahedrons anchored on the wood aerogel (MIL-101(Cr)-ED/WA) was constructed. Benefiting from the two-pronged approach with the hierarchical structure of the wood aerogel frame for multistage filtration and the -NH2 that capable of chelation with metal ions, the fabricated MIL-101(Cr)-ED/WA exhibits excellent water purification performances, and its adsorption capacity of toxic Pb2+ ions could reach up to 6.46 mmol g-1. Furthermore, it demonstrates superior recyclability without secondary pollution and is also suitable for simultaneous treatment of multiple metal species. In general, this work will broaden the utilization of wood-based structural engineering materials in the treatment of heavy metal wastewater.

Halogen-Dependent Diversity and Weak Interactions in the Heterometallic Ni/Cd Complex Solids: Structural and Theoretical Investigation.

Three novel heterometallic Ni/Cd coordination compounds [Ni(en)3][CdCl4]∙3dmso (1), [Ni(en)2(dmf)2][CdBr4] (2), and [Ni(en)3]2[CdI4](I)2 (3) have been synthesized through the self-assembly process in a one-pot reaction of cadmium oxide, nickel salt (or nickel powder), NH4X (X = Cl, Br, I), and ethylenediamine in non-aqueous solvents dmso (for 1) or dmf (for 2 and 3). Formation of the one- (1) or three-dimensional (2 and 3) hydrogen-bonded frameworks has been observed depending on the nature of the [CdX4]2- counter-anion, as well as on the nature of the solvent. The electronic structures of [Ni(en)3]2+ and [Ni(en)2(dmf)2]2+ cations were studied at the DFT and CASSCF levels, including the ab initio ligand field theory (AILFT) calculations. The non-covalent intermolecular contacts between the cationic nickel and anionic cadmium blocks in the solid state were investigated by the QTAIM analysis. The mechanism of ligand substitution at the nickel center in [Ni(en)2(dmf)2]2+ was theoretically investigated at the ωB97X-D4/ma-def2-TZVP//DLPNO-CCSD(T)/ma-def2-TZVPP level. The results demonstrate that thermodynamic factors are structure-determining ones due to low energy barriers of the rotation of dmf ligands in [Ni(en)2(dmf)2]2+ (below 3 kcal mol-1) and the reversible transformation of [Ni(en)2(dmf)2]2+ into [Ni(en)3]2+ (below 20 kcal mol-1).

Synthesis, crystal structure, stereochemical and Hirshfeld surface analysis of trans-di-aqua-bis-(1-phenyl-propane-1,2-di-amine-κ2N,N')nickel(II) dichloride dihydrate.

In the hydrated complex salt, [Ni(C9H14N2)2(H2O)2]Cl2·2H2O, the asymmetric unit comprises of half of the complex cation along with one chloride anion and one non-coordinating water mol-ecule. The central nickel(II) atom is located on an inversion center and is coordinated in a trans octa-hedral fashion by four N atoms from two bidentate 1,2-di-amino-1-phenyl-propane ligands in the equatorial plane, and by two oxygen atoms from two water mol-ecules occupying the axial sites. The five-membered chelate ring is in a slightly twisted envelope conformation. The crystal packing features O-H⋯Cl, N-H⋯O and N-H⋯Cl hydrogen bonds. Hirshfeld surface analysis revealed that the most important contributions to the crystal packing are from H⋯H (56.4%), O⋯H/H⋯O (16.4%) and H⋯Cl (13.3%) inter-actions. The crystal void volume was calculated to be 15.17%.

Green synthesis of aminated hyaluronic acid-based silver nanoparticles on modified titanium dioxide surface: Influence of size and chemical composition on their biological properties.

This is the first report on an efficient, "environmentally friendly" chemical reduction method for the synthesis of aminated hyaluronic acid-based silver nanoparticles on the modified surface of titanium dioxide nanoparticles aimed for biological applications. Silver nanoparticles exhibit well-known physical-chemical and optical properties appropriate for different biological applications. Modifying the nanoparticles leads to a change in their expected bioactivity. This represents an important topic for the current research. We have developed a novel aminated hyaluronic acid (HA-EDA)-based protocol to obtain silver nanoparticles, in which HA-EDA was used for the first time as a reducing and stabilizing agent. The effect of the size of silver nanoparticles on the titanium dioxide surface and the chemical composition of the obtained materials were investigated by TEM, XRD, XPS, ATR-FTIR, Raman spectroscopy, NMR and H2-TPR analyses. The antioxidant, in vitro biocompatibility, and antimicrobial activity of the fabricated composites have been evaluated. The results prove that the prepared materials exhibit antimicrobial, antioxidant, and anti-inflammatory activity, thus providing protection against infection and supporting tissue regeneration, these two key effects being of paramount importance for promoting wound healing.