Inorganics

20 pages, 3411 KiB

Open AccessReview

Recent Progress on the Functionalization of Endohedral Metallofullerenes

by Song Wang, Xianming Zhang, Xi Tan, Hongzhen Li, Songxin Dai, Bin Yao, Xingyan Liu, Youzhou He and Fei Jin

Inorganics 2023, 11(8), 346; https://doi.org/10.3390/inorganics11080346 - 21 Aug 2023

Cited by 1 | Viewed by 1581

Abstract

Functionalization of endohedral metallofullerenes (EMFs) plays an important role in exploring the reactivity of EMFs and stabilizing missing EMFs, thus conferring tunable properties and turning EMFs into applicable materials. In this review, we present exhaustive progress on the functionalization of EMFs since 2019. [...] Read more.

Functionalization of endohedral metallofullerenes (EMFs) plays an important role in exploring the reactivity of EMFs and stabilizing missing EMFs, thus conferring tunable properties and turning EMFs into applicable materials. In this review, we present exhaustive progress on the functionalization of EMFs since 2019. Classic functionalization reactions include Prato reactions, Bingel–Hirsch reactions, radical addition reactions, carbene addition reactions, and so on are summarized. And new complicated multi-component reactions and other creative reactions are presented as well. We also discuss the structural features of derivatives of EMFs and the corresponding reaction mechanisms to understand the reactivity and regioselectivity of EMFs. In the end, we make conclusions and put forward an outlook on the prospect of the functionalization of EMFs. Full article

(This article belongs to the Special Issue Research on Metallofullerenes)

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15 pages, 8049 KiB

Open AccessArticle

Physicochemical Fundamentals of the Synthesis of a Cu@BN Composite Consisting of Nanosized Copper Enclosed in a Boron Nitride Matrix

by Elena A. Malinina, Ivan I. Myshletsov, Grigorii A. Buzanov, Irina V. Kozerozhets, Nikolay P. Simonenko, Tatiana L. Simonenko, Svetlana E. Nikiforova, Varvara V. Avdeeva, Konstantin Yu. Zhizhin and Nikolay T. Kuznetsov

Inorganics 2023, 11(8), 345; https://doi.org/10.3390/inorganics11080345 - 21 Aug 2023

Cited by 3 | Viewed by 1455

Abstract

The thermal reduction of the copper(II) complexes [Cu^II(N₂H₄)₃][B₁₀H₁₀]·nH₂O (I·nH₂O) and [Cu^II(NH₃)₄][B₁₀H₁₀]· [...] Read more.

The thermal reduction of the copper(II) complexes [Cu^II(N₂H₄)₃][B₁₀H₁₀]·nH₂O (I·nH₂O) and [Cu^II(NH₃)₄][B₁₀H₁₀]·nH₂O (II·nH₂O) has been studied in an argon atmosphere at 900 °C. It has been found that the annealing of both compounds results in a Cu@BN boron-containing copper composite. It has been shown that this process leads to the formation of a boron nitride matrix doped with cubic copper(0) nanoparticles due to the copper(II)→copper(I)→copper(0) thermal reduction. The phase composition of annealing products I⁹⁰⁰ and II⁹⁰⁰ has been determined based on powder X-ray diffraction, IR spectroscopy and thermal analysis data. The morphology, average particle size and composition of the composite have been determined by TEM and high-resolution TEM + EDS. The average particle size has been found to be about 81 nm and 52 nm for samples I⁹⁰⁰ and II⁹⁰⁰, respectively. Comparison of the results obtained using physicochemical studies has shown the identity of the composition of the products of annealing I⁹⁰⁰ and II⁹⁰⁰. The electrical properties of a coating based on an I⁹⁰⁰ sample modified with Cu⁰→Cu₂O in situ during deposition on a chip at 300 °C in air have been studied. As a result, with increasing temperature, an increase in the electrical conductivity characteristic of semiconductors has been observed. Full article

(This article belongs to the Special Issue Nanoparticles of Metal-Containing Compounds: Fundamental Studies and Applications)

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25 pages, 1957 KiB

Open AccessArticle

QSPR and Nano-QSPR: Which One Is Common? The Case of Fullerenes Solubility

by Alla P. Toropova, Andrey A. Toropov and Natalja Fjodorova

Inorganics 2023, 11(8), 344; https://doi.org/10.3390/inorganics11080344 - 21 Aug 2023

Viewed by 1962

Abstract

Background: The system of self-consistent models is an attempt to develop a tool to assess the predictive potential of various approaches by considering a group of random distributions of available data into training and validation sets. Considering many different splits is more [...] Read more.

Background: The system of self-consistent models is an attempt to develop a tool to assess the predictive potential of various approaches by considering a group of random distributions of available data into training and validation sets. Considering many different splits is more informative than considering a single model. Methods: Models studied here build up for solubility of fullerenes C60 and C70 in different organic solvents using so-called quasi-SMILES, which contain traditional simplified molecular input-line entry systems (SMILES) incorporated with codes that reflect the presence of C60 and C70. In addition, the fragments of local symmetry (FLS) in quasi-SMILES are applied to improve the solubility’s predictive potential (expressed via mole fraction at 298’K) models. Results: Several versions of the Monte Carlo procedure are studied. The use of the fragments of local symmetry along with a special vector of the ideality of correlation improves the predictive potential of the models. The average value of the determination coefficient on the validation sets is equal to 0.9255 ± 0.0163. Conclusions: The comparison of different manners of the Monte Carlo optimization of the correlation weights has shown that the best predictive potential was observed for models where both fragments of local symmetry and the vector of the ideality of correlation were applied. Full article

(This article belongs to the Special Issue Advances in Fullerene Science)

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11 pages, 3672 KiB

Open AccessArticle

Synthesis of Polystyrene@TiO₂ Core–Shell Particles and Their Photocatalytic Activity for the Decomposition of Methylene Blue

by Naoki Toyama, Tatsuya Takahashi, Norifumi Terui and Shigeki Furukawa

Inorganics 2023, 11(8), 343; https://doi.org/10.3390/inorganics11080343 - 21 Aug 2023

Cited by 2 | Viewed by 1469

Abstract

In this study, we investigated the preparation conditions of polystyrene (PS)@TiO₂ core–shell particles and their photocatalytic activity during the decomposition of methylene blue (MB). TiO₂ shells were formed on the surfaces of PS particles using the sol–gel method. Homogeneous PS@TiO₂ [...] Read more.

In this study, we investigated the preparation conditions of polystyrene (PS)@TiO₂ core–shell particles and their photocatalytic activity during the decomposition of methylene blue (MB). TiO₂ shells were formed on the surfaces of PS particles using the sol–gel method. Homogeneous PS@TiO₂ core–shell particles were obtained using an aqueous NH₃ solution as the promoter of the sol–gel reaction and stirred at room temperature. This investigation revealed that the temperature and amount of the sol–gel reaction promoter influenced the morphology of the PS@TiO₂ core–shell particles. The TiO₂ shell thickness of the PS@TiO₂ core–shell particles was approximately 5 nm, as observed using transmission electron microscopy. Additionally, Ti elements were detected on the surfaces of the PS@TiO₂ core–shell particles using energy-dispersive X-ray spectroscopy analysis. The PS@TiO₂ core–shell particles were used in MB decomposition to evaluate their photocatalytic activities. For comparison, we utilized commercial P25 and TiO₂ particles prepared using the sol–gel method. The results showed that the PS@TiO₂ core–shell particles exhibited higher activity than that of the compared samples. Full article

(This article belongs to the Special Issue 10th Anniversary of Inorganics: Inorganic Materials)

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12 pages, 4259 KiB

Open AccessArticle

In Situ Preparation of 2D Co-B Nanosheets@1D TiO₂ Nanofibers as a Catalyst for Hydrogen Production from Sodium Borohydride

by Ibrahim M. Maafa, Nasser Zouli, Ahmed Abutaleb, Ayman Yousef, Isam Y. Qudsieh, Saleh M. Matar, Abdel Samed M. Adam and M. M. El-Halwany

Inorganics 2023, 11(8), 342; https://doi.org/10.3390/inorganics11080342 - 18 Aug 2023

Cited by 1 | Viewed by 1578

Abstract

In this study, 2D Co-B nanosheet-decorated 1D TiO₂ nanofibers (2D Co-B NS-decorated 1D TiO₂ NFs) are synthesized via electrospinning and an in situ chemical reduction technique. The as-prepared catalyst showed excellent catalytic performance in H₂ generation from sodium borohydride (SBH). [...] Read more.

In this study, 2D Co-B nanosheet-decorated 1D TiO₂ nanofibers (2D Co-B NS-decorated 1D TiO₂ NFs) are synthesized via electrospinning and an in situ chemical reduction technique. The as-prepared catalyst showed excellent catalytic performance in H₂ generation from sodium borohydride (SBH). When compared to naked Co-B nanoparticles, the catalytic activity of the 2D Co-B NS-decorated 1D TiO₂ NFs catalyst for the hydrolysis of SBH is significantly enhanced, as demonstrated by the high hydrogen generation rate (HGR) of 6020 mL min⁻¹ g⁻¹ at 25 °C. The activation energy of hydrolysis was measured to be 30.87 kJ mol⁻¹, which agreed with the reported values. The catalyst also showed good stability. Moreover, the effects of SBH, catalyst concentration, and temperature on the catalytic performance of 2D Co-B NS-decorated 1D TiO₂ NFs were studied to gain a comprehensive understanding of the dehydrogenation mechanism of SBH. Based on these findings, we conclude that 2D Co-B NS-decorated 1D TiO₂ NFs are effective catalytic materials for the dehydrogenation of SBH. Full article

(This article belongs to the Special Issue Nanostructured Platinum-Containing Electrocatalysts for Hydrogen Energy)

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15 pages, 6506 KiB

Open AccessArticle

Significantly Enhanced Self-Cleaning Capability in Anatase TiO₂ for the Bleaching of Organic Dyes and Glazes

by Tiangui Zhao, Tihao Cao, Qifu Bao, Weixia Dong, Ping Li, Xingyong Gu, Yunzi Liang and Jianer Zhou

Inorganics 2023, 11(8), 341; https://doi.org/10.3390/inorganics11080341 - 18 Aug 2023

Viewed by 1271

Abstract

In this study, the Mg²⁺-doped anatase TiO₂ phase was synthesized via the solvothermal method by changing the ratio of deionized water and absolute ethanol V_water/V_ethanol). This enhances the bleaching efficiency under visible light. The crystal structure, [...] Read more.

In this study, the Mg²⁺-doped anatase TiO₂ phase was synthesized via the solvothermal method by changing the ratio of deionized water and absolute ethanol V_water/V_ethanol). This enhances the bleaching efficiency under visible light. The crystal structure, morphology, and photocatalytic properties of Mg-doped TiO₂ were characterized by X-ray diffraction, scanning electron microscopy, high-resolution transmission electron microscopy, N₂ adsorption-desorption, UV-Vis spectroscopy analysis, etc. Results showed that the photocatalytic activity of the Mg²⁺-doped TiO₂ sample was effectively improved, and the morphology, specific surface area, and porosity of TiO₂ could be controlled by V_water/V_ethanol. Compared with the Mg-undoped TiO₂ sample, Mg-doped TiO₂ samples have higher photocatalytic properties due to pure anatase phase formation. The Mg-doped TiO₂ sample was synthesized at V_water/V_ethanol of 12.5:2.5, which has the highest bleaching rate of 99.5% for the rhodamine B dye during 80 min under visible light. Adding Mg²⁺-doped TiO₂ into the phase-separated glaze is an essential factor for enhancing the self-cleaning capability. The glaze samples fired at 1180 °C achieved a water contact angle of 5.623° at room temperature and had high stain resistance (the blot floats as a whole after meeting the water). Full article

(This article belongs to the Special Issue New Advances into Nanostructured Oxides, 2nd Edition)

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2 pages, 1120 KiB

Open AccessCorrection

Correction: Tian et al. Fluorescence Resonance Energy Transfer Properties and Auger Recombination Suppression in Supraparticles Self-Assembled from Colloidal Quantum Dots. Inorganics 2023, 11, 218

by Xinhua Tian, Hao Chang, Hongxing Dong, Chi Zhang and Long Zhang

Inorganics 2023, 11(8), 340; https://doi.org/10.3390/inorganics11080340 - 18 Aug 2023

Viewed by 993

Abstract

Error in Figure [...] Full article

(This article belongs to the Special Issue Advanced Inorganic Semiconductor Materials)

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25 pages, 9431 KiB

Open AccessArticle

Facile Synthesis and Characterization of Novel Nanostructures for the Efficient Disposal of Crystal Violet Dye from Aqueous Media

by Ehab A. Abdelrahman, Faisal K. Algethami, Huda S. AlSalem, Mona S. Binkadem, Fawaz A. Saad, Gharieb S. El-Sayyad, Nadeem Raza and Khalil ur Rehman

Inorganics 2023, 11(8), 339; https://doi.org/10.3390/inorganics11080339 - 17 Aug 2023

Cited by 15 | Viewed by 1603

Abstract

An excessive accumulation of crystal violet dye in the human body results in an accelerated heart rate, tetraplegia, eye irritation, and long-term damage to the transparent mucous membrane that protects the eyeballs. Accordingly, in this paper, sodium manganese silicate/sodium manganese silicate hydroxide hydrate [...] Read more.

An excessive accumulation of crystal violet dye in the human body results in an accelerated heart rate, tetraplegia, eye irritation, and long-term damage to the transparent mucous membrane that protects the eyeballs. Accordingly, in this paper, sodium manganese silicate/sodium manganese silicate hydroxide hydrate was easily fabricated as a novel type of nanostructures for the successful disposal of crystal violet dye from aqueous solutions. The formed sodium manganese silicate/sodium manganese silicate hydroxide hydrate nanostructures after the hydrothermal treatment of the gel produced from the interaction of Mn(II) ions with Si(IV) ions at 180 °C for 6, 12, 18, and 24 h were abbreviated as MS1, MS2, MS3, and MS4, respectively. The XRD showed that the average crystallite size of the MS1, MS2, MS3, and MS4 samples is 8.38, 7.43, 4.25, and 8.76 nm, respectively. The BET surface area of the MS1, MS2, MS3, and MS4 samples is 41.58, 46.15, 58.25, and 39.69 m²/g, respectively. The MS1, MS2, MS3, and MS4 samples consist of spherical and irregular shapes with average grain sizes of 157.22, 88.06, 43.75, and 107.08 nm, respectively. The best adsorption conditions of the crystal violet dye employing the MS1, MS2, MS3, and MS4 products were achieved at pH = 8, contact time = 140 min, and solution temperature = 298 kelvin. The linear pseudo-2nd-order model as well as the linear Langmuir isotherm better describe the disposal of the crystal violet dye using the MS1, MS2, MS3, and MS4 adsorbents. The studied thermodynamic parameters indicated that the disposal of the crystal violet dye employing the MS1, MS2, MS3, and MS4 adsorbents is spontaneous, exothermic, and chemical. The maximum disposal capacities of the MS1, MS2, MS3, and MS4 adsorbents towards crystal violet dye are 342.47, 362.32, 411.52, and 310.56 mg/g, respectively. Full article

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9 pages, 894 KiB

Open AccessCommunication

Heterotridentate Organomonophosphines in Pt(η³-P¹C¹C²)(Y) and Pt(η³-P¹C¹N¹)(Y) Derivatives—Structural Aspects

by Milan Melník, Veronika Mikušová and Peter Mikuš

Inorganics 2023, 11(8), 338; https://doi.org/10.3390/inorganics11080338 - 16 Aug 2023

Cited by 1 | Viewed by 1075

Abstract

This paper covers Pt(II) complexes of the compositions Pt(η³-P¹C¹C²)(Y) (Y = NL or I) and Pt(η³-P¹C¹N¹)(Y), Y = OL, NL, CL, Cl or Br). These complexes crystallized [...] Read more.

This paper covers Pt(II) complexes of the compositions Pt(η³-P¹C¹C²)(Y) (Y = NL or I) and Pt(η³-P¹C¹N¹)(Y), Y = OL, NL, CL, Cl or Br). These complexes crystallized in four crystal classes: monoclinic (9 examples), triclinic (3 examples), orthorhombic (3 examples), and tetragonal (2 examples). The structural parameters (Pt-L, L-Pt-L) are analyzed and discussed with attention to the distortion of square-planar geometry about the Pt(II) atoms and trans-influence. These data are compared and discussed with those of Pt(η³-P¹N¹N²)(Y), Pt(η³-P¹N¹X¹)(Y), (X¹=O¹, C¹, S¹, Se¹), Pt(η³-N¹P¹N²)(Cl), Pt(η³-S¹P¹S²)(Cl), Pt(η³-P¹S¹Cl¹)(Cl), and Pt(η³-P¹Si¹N¹)(OL) types. Each heterotridentate ligand creates two metallocyclic rings with a common central ligating atom. These η³-ligands form twenty-three types of metallocycles and differ by the number and type of the atoms involved in the metallocyclic rings. Full article

(This article belongs to the Section Inorganic Materials)

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18 pages, 4081 KiB

Open AccessReview

Research and Application Progress of Inverse Opal Photonic Crystals in Photocatalysis

by Hongming Xiang, Shu Yang, Emon Talukder, Chenyan Huang and Kaikai Chen

Inorganics 2023, 11(8), 337; https://doi.org/10.3390/inorganics11080337 - 15 Aug 2023

Cited by 2 | Viewed by 2350

Abstract

In order to solve the problem of low photocatalytic efficiency in photocatalytic products, researchers proposed a method to use inverse opal photonic crystal structure in photocatalytic materials. This is due to a large specific surface area and a variety of optical properties of [...] Read more.

In order to solve the problem of low photocatalytic efficiency in photocatalytic products, researchers proposed a method to use inverse opal photonic crystal structure in photocatalytic materials. This is due to a large specific surface area and a variety of optical properties of the inverse opal photonic crystal, which are great advantages in photocatalytic performance. In this paper, the photocatalytic principle and preparation methods of three-dimensional inverse opal photonic crystals are introduced, including the preparation of basic inverse opal photonic crystals and the photocatalytic modification of inverse opal photonic crystals, and then the application progresses of inverse opal photonic crystal photocatalyst in sewage purification, production of clean energy and waste gas treatment are introduced. Full article

(This article belongs to the Special Issue Advanced Inorganic Semiconductor Materials)

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15 pages, 3317 KiB

Open AccessEditor’s ChoiceArticle

Sn(IV)porphyrin-Anchored TiO₂ Nanoparticles via Axial-Ligand Coordination for Enhancement of Visible Light-Activated Photocatalytic Degradation

by Nirmal Kumar Shee and Hee-Joon Kim

Inorganics 2023, 11(8), 336; https://doi.org/10.3390/inorganics11080336 - 15 Aug 2023

Cited by 12 | Viewed by 1873

Abstract

A visible-light-active photocatalyst, SnP/AA@TiO₂, was fabricated by utilizing the coordination chemistry between the axial hydroxo-ligand in the (trans-dihydroxo)(5,10,15,20-tetraphenylporphyrinato)Sn(IV) complex (SnP) and adipic acid (AA) on the surface of TiO₂ nanoparticles. The SnP center was strongly bonded to the [...] Read more.

A visible-light-active photocatalyst, SnP/AA@TiO₂, was fabricated by utilizing the coordination chemistry between the axial hydroxo-ligand in the (trans-dihydroxo)(5,10,15,20-tetraphenylporphyrinato)Sn(IV) complex (SnP) and adipic acid (AA) on the surface of TiO₂ nanoparticles. The SnP center was strongly bonded to the surface of the TiO₂ nanoparticles via the adipic acid linkage in SnP/AA@TiO₂, as confirmed by various instrumental techniques. SnP/AA@TiO₂ exhibited remarkably enhanced photocatalytic activity toward the degradation of rhodamine B dye (RhB) in aqueous solution under visible-light irradiation. The RhB degradation efficiency of SnP/AA@TiO₂ was 95% within 80 min, with a rate constant of 0.0366 min⁻¹. The high degradation efficiency, low catalyst loading and high reusability make SnP-anchored photocatalysts more efficient than other photocatalysts, such as TiO₂ and SnP@TiO₂. Full article

(This article belongs to the Special Issue Nanocomposites for Photocatalysis)

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24 pages, 3931 KiB

Open AccessFeature PaperArticle

Matching Polynomial-Based Similarity Matrices and Descriptors for Isomers of Fullerenes

by Krishnan Balasubramanian

Inorganics 2023, 11(8), 335; https://doi.org/10.3390/inorganics11080335 - 13 Aug 2023

Viewed by 1264

Abstract

I have computed the matching polynomials of a number of isomers of fullerenes of various sizes with the objective of developing molecular descriptors and similarity measures for isomers of fullerenes on the basis of their matching polynomials. Two novel matching polynomial-based topological descriptors [...] Read more.

I have computed the matching polynomials of a number of isomers of fullerenes of various sizes with the objective of developing molecular descriptors and similarity measures for isomers of fullerenes on the basis of their matching polynomials. Two novel matching polynomial-based topological descriptors are developed, and they are demonstrated to have the discriminating power to contrast a number of closely related isomers of fullerenes. The number of ways to place up to seven disjoint dimers on fullerene isomers are shown to be identical, as they are not structure-dependent. Moreover, similarity matrices that provide quantitative similarity measures among a given set of isomers of fullerenes are developed from their matching polynomials and are shown to provide robust quantitative measures of similarity. Full article

(This article belongs to the Special Issue Advances in Fullerene Science)

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14 pages, 2545 KiB

Open AccessArticle

Circular Dichroism Spectroscopic Studies on Solution Chemistry of M(II)-Monensinates in Their Competition Reactions

by Máté Levente Kis, Bálint Hajdu, Petar Dorkov, Ivayla Pantcheva and Béla Gyurcsik

Inorganics 2023, 11(8), 334; https://doi.org/10.3390/inorganics11080334 - 13 Aug 2023

Cited by 1 | Viewed by 1438

Abstract

The chirality of the polyether ionophore monensic acid A can be successfully used to study its coordination ability in solution. A complementary approach to gain new insights into the complexation chemistry of the antibiotic (studied previously by circular dichroism (CD) spectroscopy in the [...] Read more.

The chirality of the polyether ionophore monensic acid A can be successfully used to study its coordination ability in solution. A complementary approach to gain new insights into the complexation chemistry of the antibiotic (studied previously by circular dichroism (CD) spectroscopy in the ultraviolet range (UV-CD)) is presented. (1) Methods: The CD spectroscopy in the visible (VIS-CD) and near-infrared (NIR-CD) range is applied to evaluate the affinity of deprotonated monensic acid A (monensinate A) towards Ni(II) or Co(II) cations in methanolic solution. Competition experiments between a variety of colorless divalent metal ions for binding the ligand anion were also performed. (2) Results: The stability constants of the species observed in binary Ni(II)/Co(II)-monensinate systems and their distribution were reevaluated with the VIS- and NIR-CD techniques. The data confirmed the formation of mono and bis complexes depending on the metal-to-ligand molar ratio. The studies on the systems containing two competing divalent metal cations exclude the formation of ternary complex species but provide an opportunity to also calculate the stability constants of Zn(II), Mg(II), and Ca(II) monensinates. (3) Conclusions: The advantages of CD spectroscopy in the VIS-NIR range (“invisible” ligand and metal salts, “visible” chiral complex species) simplify the experimental dataset evaluation and increase the reliability of computed results. Full article

(This article belongs to the Special Issue Recent Advances in Biological and Catalytic Applications of Metal Complexes)

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29 pages, 9718 KiB

Open AccessArticle

Efficient Disposal of Rhodamine 6G and Acid Orange 10 Dyes from Aqueous Media Using ZrO₂/CdMn₂O₄/CdO as Novel and Facilely Synthesized Nanocomposites

by Ehab A. Abdelrahman, Faisal K. Algethami, Huda S. AlSalem, Mona S. Binkadem, Mohamed Khairy, Fawaz A. Saad, Gharieb S. El-Sayyad and Zahrah Alqahtani

Inorganics 2023, 11(8), 333; https://doi.org/10.3390/inorganics11080333 - 12 Aug 2023

Cited by 11 | Viewed by 1559

Abstract

It is essential to remove rhodamine 6G and acid orange 10 dyes from contaminated water because they can induce cancer and irritate the lungs, skin, mucous, membranes, and eyes. Hence, in the current work, the Pechini sol–gel method was used for the facile [...] Read more.

It is essential to remove rhodamine 6G and acid orange 10 dyes from contaminated water because they can induce cancer and irritate the lungs, skin, mucous, membranes, and eyes. Hence, in the current work, the Pechini sol–gel method was used for the facile synthesis of ZrO₂/CdMn₂O₄/CdO as novel nanocomposites at 600 and 800 °C. The synthesized nanocomposites were used as novel adsorbents for the efficient removal of rhodamine 6G and acid orange 10 dyes from aqueous media. The nanocomposites, which were synthesized at 600 and 800 °C, were abbreviated as EK600 and EK800, respectively. The synthesized nanocomposites were characterized by EDS, XRD, N₂ adsorption/desorption analyzer, and FE-SEM. The patterns of XRD showed that the average crystal size of the EK600 and EK800 nanocomposites is 68.25 and 85.32 nm, respectively. Additionally, the images of FE-SEM showed that the surface of the EK600 nanocomposite consists of spherical, polyhedral, and rod shapes with an average grain size of 99.36 nm. Additionally, the surface of the EK800 nanocomposite consists of polyhedral and spherical shapes with an average grain size of 143.23 nm. In addition, the BET surface area of the EK600 and EK800 nanocomposites is 46.33 and 38.49 m²/g, respectively. The optimal conditions to achieve the highest removal of rhodamine 6G and acid orange 10 dyes are pH = 8, contact time = 24 min, and temperature = 298 kelvin. The greatest removal capacity of the EK600 and EK800 adsorbents towards rhodamine 6G dye is 311.53 and 250.63 mg/g, respectively. Additionally, the greatest removal capacity of the EK600 and EK800 adsorbents towards acid orange 10 dye is 335.57 and 270.27 mg/g, respectively. The removal of rhodamine 6G and acid orange 10 dyes using the EK600 and EK800 adsorbents is spontaneous, exothermic, follows the Langmuir adsorption isotherm, and fits well with the pseudo-first-order kinetic model. Full article

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15 pages, 3007 KiB

Open AccessArticle

Symmetrical and Unsymmetrical Dicopper Complexes Based on Bis-Oxazoline Units: Synthesis, Spectroscopic Properties and Reactivity

by James A. Isaac, Gisèle Gellon, Florian Molton, Christian Philouze, Nicolas Le Poul, Catherine Belle and Aurore Thibon-Pourret

Inorganics 2023, 11(8), 332; https://doi.org/10.3390/inorganics11080332 - 11 Aug 2023

Cited by 1 | Viewed by 1435

Abstract

Copper–oxygen adducts are known for being key active species for the oxidation of C–H bonds in copper enzymes and their synthetic models. In this work, the synthesis and spectroscopic characterizations of such intermediates using dinucleating ligands based on a 1,8 naphthyridine spacer with [...] Read more.

Copper–oxygen adducts are known for being key active species for the oxidation of C–H bonds in copper enzymes and their synthetic models. In this work, the synthesis and spectroscopic characterizations of such intermediates using dinucleating ligands based on a 1,8 naphthyridine spacer with oxazolines or mixed pyridine-oxazoline coordination moieties as binding pockets for copper ions have been explored. On the one hand, the reaction of dicopper(I) complexes with O₂ at low temperature led to the formation of a µ-η²:η² Cu₂:O₂ peroxido species according to UV-Vis spectroscopy monitoring. The reaction of these species with 2,4-di-tert-butyl-phenolate resulted in the formation of the C–C coupling product, but no insertion of oxygen occurred. On the other hand, the synthesis of dinuclear Cu(II) bis-µ-hydroxido complexes based on pyridine–oxazoline and oxazoline ligands were carried out to further generate Cu^IICu^III oxygen species. For both complexes, a reversible monoelectronic oxidation was detected via cyclic voltammetry at E_1/2 = 1.27 and 1.09 V vs. Fc⁺/Fc, respectively. Electron paramagnetic resonance spectroscopy (EPR) and UV-Vis spectroelectrochemical methods indicated the formation of a mixed-valent Cu^IICu^III species. Although no reactivity towards exogeneous substrates (toluene) could be observed, the Cu^IICu^III complexes were shown to be able to perform hydroxylation on the methyl group of the oxazoline moieties. The present study therefore indicates that the electrochemically generated Cu^IICu^III species described herein are capable of intramolecular aliphatic oxidation of C–H bonds. Full article

(This article belongs to the Special Issue Editorial Board Members’ Collection Series in “Bioinorganic Chemistry of Copper”)

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21 pages, 9382 KiB

Open AccessArticle

Copper(II) and Platinum(II) Naproxenates: Insights on Synthesis, Characterization and Evaluation of Their Antiproliferative Activities

by Amanda A. Silva, Silmara C. L. Frajácomo, Állefe B. Cruz, Kaio Eduardo Buglio, Daniele Daiane Affonso, Marcelo Cecconi Portes, Ana Lúcia T. G. Ruiz, João Ernesto de Carvalho, Wilton R. Lustri, Douglas H. Pereira, Ana M. da Costa Ferreira and Pedro P. Corbi

Inorganics 2023, 11(8), 331; https://doi.org/10.3390/inorganics11080331 - 10 Aug 2023

Viewed by 1655

Abstract

The growth of antibiotic resistance is a matter of worldwide concern. In parallel, cancer remains one of the main causes of death. In the search for new and improved antiproliferative agents, one of the strategies is the combination of bioactive ligands and metals [...] Read more.

The growth of antibiotic resistance is a matter of worldwide concern. In parallel, cancer remains one of the main causes of death. In the search for new and improved antiproliferative agents, one of the strategies is the combination of bioactive ligands and metals that are already consolidated in the synthesis of metallopharmaceutical agents. Thus, this work deals with the synthesis, characterization, and study of naproxen (Nap)-based complexes of copper(II) and platinum(II) as antiproliferative agents. The copper complex (Cu–Nap) presents a binuclear paddle-wheel structure in a 1 Cu:2 Nap:1 H₂O molar composition, in which Cu(II) is bonded to the carboxylate oxygens from naproxenate in a bidentate bridging mode. The platinum complex (Pt–Nap) was identified as the square planar cis-[Pt(Nap)₂(DMSO)₂] isomer, in which Pt(II) is bonded to the carboxylate oxygen atom of Nap in a monodentate fashion. Both complexes were inactive against the Gram-positive and Gram-negative bacterial strains assessed. Pt–Nap presented low cytostatic behavior over a set of tumor cells, but good viability for normal cells, while Cu–Nap was cytotoxic against all cells, with a cytocidal activity against glioma tumor cells. Full article

(This article belongs to the Special Issue Editorial Board Members’ Collection Series in “Bioinorganic Chemistry of Copper”)

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16 pages, 3423 KiB

Open AccessArticle

Hydrogen Incorporation in Ru_xTi_1−xO₂ Mixed Oxides Promotes Total Oxidation of Propane

by Wei Wang, Yu Wang, Phillip Timmer, Alexander Spriewald-Luciano, Tim Weber, Lorena Glatthaar, Yun Guo, Bernd M. Smarsly and Herbert Over

Inorganics 2023, 11(8), 330; https://doi.org/10.3390/inorganics11080330 - 7 Aug 2023

Viewed by 1217

Abstract

A rational synthetic approach is introduced to enable hydrogen insertion into oxides by forming a solid solution of a reducible oxide with a less reducible oxide as exemplified with RuO₂ and TiO₂ (Ru_x, a mixture of x% RuO₂ with (100−x)% [...] Read more.

A rational synthetic approach is introduced to enable hydrogen insertion into oxides by forming a solid solution of a reducible oxide with a less reducible oxide as exemplified with RuO₂ and TiO₂ (Ru_x, a mixture of x% RuO₂ with (100−x)% TiO₂). Hydrogen exposure at 250 °C to Ru_x (Ru_x_250R) results in substantial hydrogen incorporation accompanied by lattice strain that in turn induces pronounced activity variations. Here, we demonstrate that hydrogen incorporation in mixed oxides promotes the oxidation catalysis of propane combustion with Ru_60_250R being the catalytically most active catalyst. Full article

(This article belongs to the Special Issue 10th Anniversary of Inorganics: Inorganic Materials)

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12 pages, 1882 KiB

Open AccessArticle

Influence of Ga Substitution on the Local Structure and Luminescent Properties of Eu-Doped CaYAlO₄ Phosphors

by Ju Hyun Oh, Hyunwoo Kim, Mijeong Kang and Seunghun Lee

Inorganics 2023, 11(8), 329; https://doi.org/10.3390/inorganics11080329 - 6 Aug 2023

Viewed by 1446

Abstract

Understanding the local environment of luminescent centers in phosphors serves as a blueprint for designing the luminescent properties of phosphors. Chemical substitution is a general strategy for engineering the local structure around luminescent center ions. In this study, we systematically investigate the luminescent [...] Read more.

Understanding the local environment of luminescent centers in phosphors serves as a blueprint for designing the luminescent properties of phosphors. Chemical substitution is a general strategy for engineering the local structure around luminescent center ions. In this study, we systematically investigate the luminescent properties of Ga-substituted Eu-doped CaYAlO₄ (CYAGO:Eu) phosphors and the local structure of the Eu ions. The Ga substitution at the Al sites leads to a significant enhancement in the electric dipole transition of Eu³⁺ (⁵D₀ → ⁷F₂). The Judd–Ofelt analysis reveals that Eu³⁺ ions are substituted for Ca/Y, and the Ga substitution increases the asymmetricity of the local structure around the Eu ions because of the different ionic radii and electronegativities of Al and Ga. In addition, Eu²⁺ emission is missing regardless of the Ga substitution and post-hydrogen treatments. The present work provides deeper insight into the role of chemical substitution in oxide phosphors. Full article

(This article belongs to the Section Inorganic Solid-State Chemistry)

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14 pages, 5186 KiB

Open AccessArticle

Phytochemical Substances—Mediated Synthesis of Zinc Oxide Nanoparticles (ZnO NPS)

by Fawzeeh Nayif Alharbi, Zulfa Mohamed Abaker and Suzan Zein Alabdeen Makawi

Inorganics 2023, 11(8), 328; https://doi.org/10.3390/inorganics11080328 - 5 Aug 2023

Cited by 22 | Viewed by 3165

Abstract

Artemisia absinthium (A. absinthium) leaf extract was successfully used to create zinc oxide nanoparticles (ZnO NPs), and their properties were investigated via several techniques, including X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray (EDX), Fourier transform infrared (FTIR), and ultraviolet–visible [...] Read more.

Artemisia absinthium (A. absinthium) leaf extract was successfully used to create zinc oxide nanoparticles (ZnO NPs), and their properties were investigated via several techniques, including X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray (EDX), Fourier transform infrared (FTIR), and ultraviolet–visible spectroscopy (UV–Vis spectroscopy). SEM analysis confirmed the spherical and elliptical shapes of the particles. Three different zinc peaks were observed via EDX at the energies of 1, 8.7, and 9.8 keV, together with a single oxygen peak at 0.5 keV. The XRD analysis identified ZnO NPs as having a hexagonal wurtzite structure, with a particle size that decreased from 24.39 to 18.77 nm, and with an increasing surface area (BET) from 4.003 to 6.032 m²/g for the ZnO (without extract) and green ZnO NPs, respectively. The FTIR analysis confirmed the groups of molecules that were accountable for the stabilization and minimization of the ZnO NPs, which were apparent at 3400 cm. Using UV–Vis spectroscopy, the band-gap energies (Egs) for the green ZnO and ZnO (without extract) NPs were estimated, and the values were 2.65 and 2.79 eV, respectively. Full article

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10 pages, 2860 KiB

Open AccessArticle

A Series of Lanthanide Complexes with Keggin-Type Monolacunary Phosphotungstate: Synthesis and Structural Characterization

by Vladimir S. Korenev, Taisiya S. Sukhikh and Maxim N. Sokolov

Inorganics 2023, 11(8), 327; https://doi.org/10.3390/inorganics11080327 - 1 Aug 2023

Cited by 3 | Viewed by 1404

Abstract

The coordination of rare-earth metal ions (Ln³⁺) to polyoxometalates (POM) is regarded as a way of modifying and controlling their properties, such as single-molecular magnetism or luminescent behavior. The half-sandwich complexes of Ln³⁺ with monolacunary Keggin POMs (Ln³⁺/POM [...] Read more.

The coordination of rare-earth metal ions (Ln³⁺) to polyoxometalates (POM) is regarded as a way of modifying and controlling their properties, such as single-molecular magnetism or luminescent behavior. The half-sandwich complexes of Ln³⁺ with monolacunary Keggin POMs (Ln³⁺/POM = 1:1) are of particular interest, since the Ln³⁺ retains its ability to coordinate extra ligands. Thus, the knowledge of the exact structures of 1:1 Ln/POM complexes is important for the development of reliable synthetic protocols for hybrid complexes. In this work, we isolated three 1:1 Gd³⁺/POM complexes of the general formula Cat₄Gd(PW₁₁O₃₉)·xH₂O (Cat = K⁺ or Me₄N⁺). Complex (Me₄N)₂K₂[Gd(H₂O)₂PW₁₁O₃₉]·5H₂O (1) is polymeric, revealing a layered structural motif via bridging Gd³⁺ and K⁺ ions. Complexes (Me₄N)₆K₂[Gd(H₂O)₃PW₁₁O₃₉]₂·20H₂O (2) and (Me₄N)₇K[Gd(H₂O)₃PW₁₁O₃₉]₂·12H₂O (3) are classified as dimeric; the difference between them consists of the different crystal packing of the polyoxometalates, which is induced by a variation in the cationic composition. Isostructural complexes have also been characterized for praseodymium, europium, terbium and dysprosium. The coordination number of Ln³⁺ (8) persists in all the compounds, while the binding mode of the POM varies, giving rise to different architectures with two or three H₂O co-ligands per Ln³⁺. However, whatever the particular structure and exact composition, the {Ln(PW₁₁O₃₉)} moieties are always involved in bonding with each other with the formation either of polymeric chains or dimeric units. In water, these aggregates can dissociate with the formation of [Ln(H₂O)₄PW₁₁O₃₉]^4-. This behavior must be taken into account when choosing L for the design of hybrid {Ln(L)POM} complexes. Full article

(This article belongs to the Special Issue Advances in Polyoxometalates for Supramolecular Architecture, Biomimetics and Bioapplications)

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12 pages, 2631 KiB

Open AccessArticle

PEPPSI-Type Pd(II)—NHC Complexes on the Base of p-tert-Butylthiacalix[4]arene: Synthesis and Catalytic Activities

by Bulat Gafiatullin, Aigul Akchurina, Angelina Fedoseeva, Elza Sultanova, Daut Islamov, Konstantin Usachev, Vladimir Burilov, Svetlana Solovieva and Igor Antipin

Inorganics 2023, 11(8), 326; https://doi.org/10.3390/inorganics11080326 - 1 Aug 2023

Cited by 3 | Viewed by 1593

Abstract

The creation of effective catalytic systems for cross-coupling reactions, reduction, etc., capable of working in water-organic or pure aqueous media is in great demand. The article presents the synthesis of NHC-palladium complexes of the PEPPSI type based on monoimidazolium derivatives of thiacalix[4]arene. The [...] Read more.

The creation of effective catalytic systems for cross-coupling reactions, reduction, etc., capable of working in water-organic or pure aqueous media is in great demand. The article presents the synthesis of NHC-palladium complexes of the PEPPSI type based on monoimidazolium derivatives of thiacalix[4]arene. The structure of the imidazolium precursors, obtained in 81–88% yields and the complexes themselves, obtained in 40–50% yields, is established using modern methods, including X-ray structural analysis and high-resolution mass spectrometry. It is shown that the obtained complex with bulk substituents near the palladium atom is not inferior to the well-known PEPPSI-type Organ’s catalyst in the catalysis of Suzuki-Miyaura coupling and is four times superior to the latter in the p-nitrophenol reduction reaction. Given the presence of free phenolic hydroxyl groups in the macrocycle, the obtained complexes are of interest for further post-modification or for immobilization on a carrier. Full article

(This article belongs to the Special Issue N-Heterocyclic Carbene Metal Complexes: Synthesis, Properties and Applications)

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13 pages, 14469 KiB

Open AccessArticle

Study of the Cathode Pt-Electrocatalysts Based on Reduced Graphene Oxide with Pt-SnO₂ Hetero-Clusters

by Dmitry D. Spasov, Nataliya A. Ivanova, Ruslan M. Mensharapov, Matvey V. Sinyakov, Adelina A. Zasypkina, Elena V. Kukueva, Alexander L. Trigub, Elizaveta S. Kulikova and Vladimir N. Fateev

Inorganics 2023, 11(8), 325; https://doi.org/10.3390/inorganics11080325 - 31 Jul 2023

Cited by 2 | Viewed by 1385

Abstract

A complex study of the structure, morphology, and electrochemical properties of the Pt²⁰/SnO₂¹⁰/RGO electrocatalyst is presented. The advantage of the chemical synthesis of reduced graphene oxide (c-RGO) compared to thermal methods (t-RGO) is due to the formation of [...] Read more.

A complex study of the structure, morphology, and electrochemical properties of the Pt²⁰/SnO₂¹⁰/RGO electrocatalyst is presented. The advantage of the chemical synthesis of reduced graphene oxide (c-RGO) compared to thermal methods (t-RGO) is due to the formation of graphene plates with amorphous carbon black agglomerates and the chemical composition of the surface. The nature of the interaction between platinum and tin dioxide particles and a conclusion about the formation of heterostructures Pt-SnO₂ with the surface interaction of lattices excluding the formation of hetero phases has been established. This achieves high dispersity during the formation of platinum particles without significant agglomeration and increases the electrochemical surface area (ESA) of platinum to 85 m² g⁻¹ vs. carbon black. In addition, the surface interaction of particles and the formation of hetero-clusters Pt-SnO₂ can cause the improved activity and stability of the Pt²⁰/SnO₂¹⁰/c-RGO electrocatalyst. Full article

(This article belongs to the Special Issue 10th Anniversary of Inorganics: Inorganic Solid State Chemistry)

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15 pages, 2306 KiB

Open AccessArticle

Oxidative, Genotoxic and Cytotoxic Damage Potential of Novel Borenium and Borinium Compounds

by Sibel Bayil Oguzkan, Hasan Turkez, Halil Ibrahim Ugras, Arzu Tatar and Adil Mardinoglu

Inorganics 2023, 11(8), 324; https://doi.org/10.3390/inorganics11080324 - 31 Jul 2023

Cited by 1 | Viewed by 1568

Abstract

In this study, the biological properties of novel borenium and borinium compounds in terms of their oxidative, genotoxic, and cytotoxic effects were assessed on cultured human peripheral blood cells, as well as several types of cancer cells. Our results revealed that the borinium [...] Read more.

In this study, the biological properties of novel borenium and borinium compounds in terms of their oxidative, genotoxic, and cytotoxic effects were assessed on cultured human peripheral blood cells, as well as several types of cancer cells. Our results revealed that the borinium compounds yielded the best results in terms of supporting total antioxidant capacity (TAC). In fact, borenium 1, borenium 2, borenium 3, borinium 4, and borinium 5 compounds elevated TAC levels of cultured human blood cells at rates of 42.8%, 101.5%, 69.8%, 33.3%, and 49.2%, respectively. There were no statistically significant differences (p > 0.05) between the negative control and the groups treated with all borinium and borenium concentrations from the micronucleus (MN) and chromosome aberration (CA) assays, demonstrating the non-genotoxic effects. Moreover, borenium 1 (60.7% and 50.7%), borenium 2 (70.4% and 57.2%), borenium 3 (53.1% and 45.2%), borinium 4 (55.1% and 48.1%), and borinium 5 (51.0% and 36.1%) minimized the mitomycin C(MMC)-induced genotoxic damages at different rates as determined using CA and MN assays, respectively. Again, it was found that the borinium compounds exhibited higher cytotoxic activity on cancer cells when compared to borenium compounds. Consequently, in light of our in vitro findings, it was suggested that the novel borinium and borenium compounds could be used safely in pharmacology, cosmetics, and various medical fields due to their antioxidant and non-genotoxic features, as well as their cytotoxicity potential on cancer cells. Full article

(This article belongs to the Special Issue Synthesis and Innovative Biological Activity of Boron-Containing Compounds)

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13 pages, 2891 KiB

Open AccessArticle

TmCN@C₈₂: Monometallic Clusterfullerene Encapsulating a Tm³⁺ Ion

by Huichao Zhang, Jinpeng Xin, Huaimin Jin, Wenhao Xiang, Muqing Chen, Yang-Rong Yao and Shangfeng Yang

Inorganics 2023, 11(8), 323; https://doi.org/10.3390/inorganics11080323 - 31 Jul 2023

Cited by 1 | Viewed by 1561

Abstract

Metal cyanide clusterfullerenes (CYCFs) are formed via the encapsulation of a single metal atom and a cyanide unit inside fullerene cages, endowing them with excellent properties in various applications. In this work, we report the synthesis, isolation, and characterizations of the first cases [...] Read more.

Metal cyanide clusterfullerenes (CYCFs) are formed via the encapsulation of a single metal atom and a cyanide unit inside fullerene cages, endowing them with excellent properties in various applications. In this work, we report the synthesis, isolation, and characterizations of the first cases of thulium (Tm)-based CYCFs with the popular C₈₂ carbon cages. The structural elucidation of the two TmCN@C₈₂ isomers was achieved via diverse analytical techniques, including mass spectrometry, Vis-NIR spectroscopy, single-crystal X-ray crystallography, and cyclic voltammetry. The crystallographic analyses unambiguously confirmed the molecular structures of the two TmCN@C₈₂ isomers as TmCN@C_s(6)-C₈₂ and TmCN@C_2v(9)-C₈₂. Both TmCN clusters adopt a well-established triangular configuration, with the Tm ion located on the symmetrical plane of the carbon cages. The electronic structures of both TmCN@C₈₂ isomers adopt a Tm³⁺(CN)⁻@(C₈₂)²⁻ configuration, exhibiting characteristic spectral and electrochemical properties reminiscent of divalent endohedral metallofullerenes (EMFs). Intriguingly, unlike the divalent Tm²⁺ ion observed in the mono-metallofullerenes Tm@C_2n, a higher oxidation state of Tm³⁺ is identified in the monometallic TmCN cluster due to bonding with the cyanide anion. This result provides valuable insight into the essential role of the non-metallic endo-units in governing the oxidation state of the metal ion and the electronic behaviors of EMFs. Full article

(This article belongs to the Special Issue Research on Metallofullerenes)

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18 pages, 9756 KiB

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Investigation of In Vitro Anticancer and Apoptotic Potential of Biofabricated Silver Nanoparticles from Cardamine hirsuta (L.) Leaf Extract against Caco-2 Cell Line

by Halaswamy Hire Math, Kariyellappa Nagaraja Shashiraj, Raju Suresh Kumar, Muthuraj Rudrappa, Meghashyama Prabhakara Bhat, Dhanyakumara Shivapoojar Basavarajappa, Abdulrahman I. Almansour, Karthikeyan Perumal and Sreenivasa Nayaka

Inorganics 2023, 11(8), 322; https://doi.org/10.3390/inorganics11080322 - 31 Jul 2023

Cited by 20 | Viewed by 1978

Abstract

Green nanoparticle (NPs) synthesis is eco-friendly, non-toxic, and the NPs have demonstrated improved biocompatibility for use in healthcare. This study evaluated the biogenic synthesis of AgNPs from the leaves of Cardamine hirsuta L. and their biological properties. The UV-Vis. spectra at 411 nm [...] Read more.

Green nanoparticle (NPs) synthesis is eco-friendly, non-toxic, and the NPs have demonstrated improved biocompatibility for use in healthcare. This study evaluated the biogenic synthesis of AgNPs from the leaves of Cardamine hirsuta L. and their biological properties. The UV-Vis. spectra at 411 nm exhibited a distinct resonance spectrum for C-AgNPs produced from C. hirsuta L. FT-IR analysis exhibited the presence of functional groups of phyto-compounds of C. hirsuta responsible of silver salt reduction and capping agents of C-AgNPs. The microscopic-based study, such as HR-TEM analysis, showed that the particles were uniformly distributed, spherical, and ranged in size from 5.36 to 87.65 nm. EDX analysis confirmed a silver (Ag) content of 36.3% by weight, and XRD analysis exhibited the face-centred cubic (FCC) crystalline nature of C-AgNPs. DLS measured the mean particle size of 76.5 nm. The zeta potential was significant at −27.9 mV, and TGA analysis revealed that C-AgNPs had higher thermal stability. C-AgNPs demonstrated moderate antimicrobial activity against the tested pathogens. In addition, the anti-proliferative activity measured by the MTT assay on the Caco-2 cell line demonstrated decreased cell viability with increasing C-AgNPs dosage, with an IC₅₀ concentration of 49.14 µg/mL. In addition, an Annexin-V/Propidium iodide flow cytometric study was utilized to evaluate the induction of apoptosis in cancer cells. Early and late apoptosis cell populations increased significantly compared to the untreated control. Therefore, green-synthesized C-AgNPs have significant antimicrobial and anti-proliferative abilities, making them intriguing options for future biomedical applications. Full article

(This article belongs to the Special Issue Functional Inorganic Materials for Biomedical Application)

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29 pages, 6482 KiB

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Synthesis of New Organoselenium-Based Succinanilic and Maleanilic Derivatives and In Silico Studies as Possible SARS-CoV-2 Main Protease Inhibitors

by Saad Shaaban, Yasair S. Al-Faiyz, Ghayah M. Alsulaim, Mohamed Alaasar, Nasser Amri, Hussein Ba-Ghazal, Ahmed A. Al-Karmalawy and Aly Abdou

Inorganics 2023, 11(8), 321; https://doi.org/10.3390/inorganics11080321 - 29 Jul 2023

Cited by 49 | Viewed by 2028

Abstract

Herein we report the synthesis of organic selenide-based maleanilic and succinanilic acids in good yields (up to 95%). Their structural identities were elucidated by spectroscopic techniques (e.g., IR, ¹H- & ¹³C-NMR, and MS). The ADMET analysis, molecule electrostatic potential map, DFT, [...] Read more.

Herein we report the synthesis of organic selenide-based maleanilic and succinanilic acids in good yields (up to 95%). Their structural identities were elucidated by spectroscopic techniques (e.g., IR, ¹H- & ¹³C-NMR, and MS). The ADMET analysis, molecule electrostatic potential map, DFT, and frontier molecular orbital were used to study the organoselenium compounds’ pharmacokinetics, drug-likeness characteristics, geometries, and chemical and electronic properties. Moreover, a molecular docking tool was employed to investigate the organic selenides’ ability to inhibit the SARS-CoV-2 Mpro target (PDB: 7BFB). Within this context, organic selenides exhibited promising binding affinities to the SARS-CoV-2 Mpro receptor in the following order (12 > 11 > 10 > 9 > 7 > 8). Furthermore, molecular dynamics simulations were also carried out for 200 ns to evaluate the exact behavior of the most active compound (12) within the M^pro binding pocket of SARS-CoV-2 compared with its co-crystallized inhibitor (Co). Full article

(This article belongs to the Special Issue Advances in the Domain of Organometallic Antioxidant and Anticancer Agents)

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28 pages, 16426 KiB

Open AccessReview

Metal Complexes with Schiff Bases as Antimicrobials and Catalysts

by Domenico Iacopetta, Jessica Ceramella, Alessia Catalano, Annaluisa Mariconda, Federica Giuzio, Carmela Saturnino, Pasquale Longo and Maria Stefania Sinicropi

Inorganics 2023, 11(8), 320; https://doi.org/10.3390/inorganics11080320 - 28 Jul 2023

Cited by 7 | Viewed by 2996

Abstract

Complexes of Schiff bases (SBs) with metals are promising compounds exhibiting a broad range of applications, such as catalysts, polymers, dyes, and several biological activities, including antimicrobial, anticancer, antioxidant, antimalarial, analgesic, antiviral, antipyretic, and antidiabetic actions. Considering the crisis that the whole world [...] Read more.

Complexes of Schiff bases (SBs) with metals are promising compounds exhibiting a broad range of applications, such as catalysts, polymers, dyes, and several biological activities, including antimicrobial, anticancer, antioxidant, antimalarial, analgesic, antiviral, antipyretic, and antidiabetic actions. Considering the crisis that the whole world is now facing against antimicrobial-resistant bacteria, in the present review, we chose to focus on the activity of SBs as antimicrobials, particularly underlying the most recent studies in this field. Finally, some interesting catalytic applications recently described for metal complexes with SBs have also been discussed. Full article

(This article belongs to the Special Issue Recent Advances in Biological and Catalytic Applications of Metal Complexes)

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18 pages, 3078 KiB

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Tailoring of Hydrogen Generation by Hydrolysis of Magnesium Hydride in Organic Acids Solutions and Development of Generator of the Pressurised H₂ Based on this Process

by Mykhaylo V. Lototskyy, Moegamat Wafeeq Davids, Tshepo Kgokane Sekgobela, Artem A. Arbuzov, Sergey A. Mozhzhukhin, Yongyang Zhu, Renheng Tang and Boris P. Tarasov

Inorganics 2023, 11(8), 319; https://doi.org/10.3390/inorganics11080319 - 27 Jul 2023

Cited by 5 | Viewed by 2086

Abstract

Hydrolysis of light metals and hydrides can potentially be used for the generation of hydrogen on-board fuel cell vehicles, or, alternatively, for refilling their fuel tanks with H₂ generated and pressurised without compressor on site, at near-ambient conditions. Implementation of this approach [...] Read more.

Hydrolysis of light metals and hydrides can potentially be used for the generation of hydrogen on-board fuel cell vehicles, or, alternatively, for refilling their fuel tanks with H₂ generated and pressurised without compressor on site, at near-ambient conditions. Implementation of this approach requires solution of several problems, including the possibility of controlling H₂ release and avoiding thermal runaway. We have solved this problem by developing the apparatus for the controlled generation of pressurised H₂ using hydrolysis of Mg or MgH₂ in organic acid solutions. The development is based on the results of experimental studies of MgH₂ hydrolysis in dilute aqueous solutions of acetic, citric, and oxalic acids. It was shown that the hydrogen yield approaches 100% with a fast hydrolysis rate when the molar ratio acid/MgH₂ exceeds 0.9, 2.0, and 2.7 for the citric, oxalic, and acetic acids, respectively. In doing so, the pH of the reaction solutions after hydrolysis corresponds to 4.53, 2.11, and 4.28, accordingly, testifying to the buffer nature of the solutions “citric acid/magnesium citrate” and “acetic acid/magnesium acetate”. We also overview testing results of the developed apparatus where the process rate is effectively controlled by the control of the acid concentration in the hydrolysis reactor. Full article

(This article belongs to the Special Issue Metal Hydrogen Systems: Fundamental Properties and Current Applications for Energy Storage and Conversion)

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15 pages, 2356 KiB

Open AccessFeature PaperArticle

Reactivity of N-Heterocyclic Stannylenes: Oxidative Addition of Chalcogen Elements to a Chiral NH-Sn System

by Kerry R. Flanagan, James D. Parish, Gabriele Kociok-Köhn and Andrew L. Johnson

Inorganics 2023, 11(8), 318; https://doi.org/10.3390/inorganics11080318 - 27 Jul 2023

Cited by 1 | Viewed by 1573

Abstract

The reactivity of the racemic N-heterocyclic stannylene [{MeHCN(^tBu)}Sn] (1) with the chalcogenide elements O₂, S, Se, and Te has been investigated. In the case of the reaction of 1 with molecular oxygen, the cyclic tristannoxane complex [{MeHCN( [...] Read more.

The reactivity of the racemic N-heterocyclic stannylene [{MeHCN(^tBu)}Sn] (1) with the chalcogenide elements O₂, S, Se, and Te has been investigated. In the case of the reaction of 1 with molecular oxygen, the cyclic tristannoxane complex [{MeHCN(^tBu)}₂Sn(μ-O)]₃ (3) was isolated and characterised. NMR studies (¹H, ¹³C, and ¹¹⁹Sn) show the formation of D₃- and C₂- symmetric assemblies. The reaction of 1 with S, Se, and Te, respectively, yielded the cyclo-distannachalcogenide complexes, [{MeHCN(^tBu)}₂Sn(μ-E)]₃ (4: E = S, 5: E = Se, 6: E = Te), again with multinuclear NMR studies proving the formation of C₂- and C_s-symmetric assemblies. Single crystal X-ray diffraction studies have been used to elucidate the molecular structures of the products of oxidative addition, 3, 4, 5, and 6. Full article

(This article belongs to the Special Issue Metal Complexes with N-donor Ligands)

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13 pages, 5221 KiB

Open AccessArticle

Photoluminescent Lanthanide(III) Coordination Polymers with Bis(1,2,4-Triazol-1-yl)Methane Linker

by Elizaveta A. Ivanova, Ksenia S. Smirnova, Ivan P. Pozdnyakov, Andrei S. Potapov and Elizaveta V. Lider

Inorganics 2023, 11(8), 317; https://doi.org/10.3390/inorganics11080317 - 27 Jul 2023

Cited by 7 | Viewed by 1463

Abstract

A series of new lanthanide(III) coordination polymers with the general formula [Ln(btrm)₂(NO₃)₃]_n, where btrm = bis(1,2,4-triazol-1-yl)methane and Ln = Eu³⁺, Tb³⁺, Sm³⁺, Dy³⁺, Gd³⁺ were synthesized [...] Read more.

A series of new lanthanide(III) coordination polymers with the general formula [Ln(btrm)₂(NO₃)₃]_n, where btrm = bis(1,2,4-triazol-1-yl)methane and Ln = Eu³⁺, Tb³⁺, Sm³⁺, Dy³⁺, Gd³⁺ were synthesized and characterized by IR-spectroscopy, elemental, thermogravimetric, single-crystal, and powder X-ray diffraction analyses. Europium(III), samarium(III), terbium(III), and gadolinium(III) coordination polymers demonstrate thermal stability up to 250 °C, while dysprosium(III) is stable up to 275 °C. According to single-crystal X-ray diffraction analysis, the ligand exhibits a bidentate-bridging coordination mode, forming a polymeric chain of octagonal metallocycles. The photoluminescence of the free ligand in the polycrystalline state is observed in the ultraviolet range with a quantum yield of 13%. The energy transfer from the ligand to the lanthanide ions was not observed for all obtained coordination polymers. However, there are sharp bands of lanthanide(III) ions in the diffuse reflectance and excitation spectra of the obtained compounds. Therefore, Ln(III) luminescence arises, most probably, from the enhancement of f-f transition intensity under the influence of the ligand field and non-centrosymmetric interactions. Full article

(This article belongs to the Special Issue Synthesis, Properties and Applications of Lanthanide and Actinide Molecular Compounds)

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Inorganics, Volume 11, Issue 8 (August 2023) – 33 articles

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