Journal Description
Chemistry
Chemistry
is an international, peer-reviewed, open access journal on chemistry published bimonthly online by MDPI.
- Open Access— free for readers, with article processing charges (APC) paid by authors or their institutions.
- High Visibility: indexed within Scopus, ESCI (Web of Science), CAPlus / SciFinder, and other databases.
- Reliable service: rigorous peer review and professional production.
- Rapid Publication: manuscripts are peer-reviewed and a first decision is provided to authors approximately 19.1 days after submission; acceptance to publication is undertaken in 3.5 days (median values for papers published in this journal in the second half of 2023).
- Recognition of Reviewers: reviewers who provide timely, thorough peer-review reports receive vouchers entitling them to a discount on the APC of their next publication in any MDPI journal, in appreciation of the work done.
- Extra benefits: no space constraints, no color charges.
Impact Factor:
2.1 (2022);
5-Year Impact Factor:
2.1 (2022)
Latest Articles
Unveiling the Molecular Signature of High-Temperature Cooking: Gas Chromatography-Mass Spectrometry Profiling of Sucrose and Histidine Reactions and Its Derivatives Induce Necrotic Death on THP1 Immune Cells
Chemistry 2024, 6(1), 153-164; https://doi.org/10.3390/chemistry6010008 - 15 Jan 2024
Abstract
High-temperature cooking processes like frying, baking, smoking, or drying can induce chemical transformations in conventional food ingredients, causing deteriorative modifications. These reactions, including hydrolytic, oxidative, and thermal changes, are common and can alter the food’s chemical composition. This study transformed a combination of
[...] Read more.
High-temperature cooking processes like frying, baking, smoking, or drying can induce chemical transformations in conventional food ingredients, causing deteriorative modifications. These reactions, including hydrolytic, oxidative, and thermal changes, are common and can alter the food’s chemical composition. This study transformed a combination of sucrose and histidine (Su-Hi) through charring or pyrolysis. The GC-MS profiling study showed that when sucrose and histidine (Su-Hi) were exposed to high temperatures (≈240 °C), they produced carbonyl and aromatic compounds including beta-D-Glucopyranose, 1,6-anhydro (10.11%), 2-Butanone, 4,4-dimethoxy- (12.89%), 2(1H)-Quinolinone-hydrazine (5.73%), Benzenamine (6.35%), 2,5-Pyrrolidinedione, 1-[(3,4-dimethylbenzoyl)oxy]- (5.82%), Benzene-(1-ethyl-1-propenyl) (5.62%), and 4-Pyridinamine-2,6-dimethyl (5.52%). The compounds mentioned can permeate the cell membrane and contribute to the development of cell death by necrosis in human immune cells. The evidence suggests that a specific set of pyrolytic compounds may pose a risk to immune cells. This investigation reveals the complex relationship between high-temperature cooking-induced transformations, compound permeation inside the cells, and downstream cellular responses, emphasizing the significance of considering the broader health implications of food chemical contaminants.
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(This article belongs to the Section Food Science)
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Recent Developments in Enantioselective Scandium-Catalyzed Transformations
Chemistry 2024, 6(1), 98-152; https://doi.org/10.3390/chemistry6010007 - 11 Jan 2024
Abstract
This review collects the recent developments in the field of enantioselective scandium-catalyzed transformations published since the beginning of 2016, illustrating the power of chiral scandium catalysts to promote all types of reactions.
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(This article belongs to the Section Catalysis)
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Special Issue “Functional Biomolecule-Based Composites and Nanostructures: Current Developments and Applications—A Themed Issue in Honor of Prof. Dr. Itamar Willner”
by
Chemistry 2024, 6(1), 95-97; https://doi.org/10.3390/chemistry6010006 - 11 Jan 2024
Abstract
This Special Issue of Chemistry is a themed issue of “Functional Biomolecule-Based Composites and Nanostructures: Current Developments and Applications” in honor of Itamar Willner to celebrate his innovative research career [...]
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(This article belongs to the Special Issue Functional Biomolecule-Based Composites and Nanostructures: Current Developments and Applications—a Themed Issue in Honor of Prof. Dr. Itamar Willner)
Open AccessArticle
A Sensor (Optode) Based on Cellulose Triacetate Membrane for Fe(III) Detection in Water Samples
Chemistry 2024, 6(1), 81-94; https://doi.org/10.3390/chemistry6010005 - 27 Dec 2023
Abstract
Iron is a heavy metal that often contaminates water. High iron concentrations are toxic to human health, so monitoring its presence in water is necessary. Iron in water can be detected using an optical sensor (optode). This research aims to fabricate an optode
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Iron is a heavy metal that often contaminates water. High iron concentrations are toxic to human health, so monitoring its presence in water is necessary. Iron in water can be detected using an optical sensor (optode). This research aims to fabricate an optode based on a cellulose triacetate membrane with a selective reagent against Fe(III). The optode was fabricated by mixing cellulose triacetate polymer, a plasticiser (a mixture of oleic acid and acetophenone), aliquot-336, and thiocyanate as a selective reagent. Membrane performance was tested based on working range, linearity, limit of detection and quantitation, precision, and accuracy. The performance of the membrane showed a linear response in the concentration range of 0.1–4 mg/L with a coefficient of determination (R2) of 0.9937, limit of detection of 0.0250 mg/L, limit of quantitation of 0.0757 mg/L, repeatability precision with a relative standard deviation of 3.31%, and an accuracy of 100.49%. Optode selectivity was good for interfering ions Cr(VI) and Pb(II). The colour complex of the optode was stable until the 10th day. The application of iron detection in water samples shows an average concentration of 0.2541 mg/L with good precision and accuracy.
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(This article belongs to the Section Green and Environmental Chemistry)
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4,4-Bis(isopropylthio)-1,1-diphenyl-2-azabuta-1,3-diene Adducts with Cadmium(II), Mercury(II) and Copper(I) Iodides: Crystal, Molecular and Electronic Structures of d10 Transition Metal Chelate Complexes
Chemistry 2024, 6(1), 62-80; https://doi.org/10.3390/chemistry6010004 - 25 Dec 2023
Abstract
The thioether-functionalized 2-azabutadiene (iPrS)2C=C(H)-N=CPh2 L ligates to CdI2 and HgI2 to form the chelate compounds [CdI2{(iPrS)2C=C(H)-N=CPh2] (1) and [HgI2(iPrS)2C=C(H)-N=CPh
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The thioether-functionalized 2-azabutadiene (iPrS)2C=C(H)-N=CPh2 L ligates to CdI2 and HgI2 to form the chelate compounds [CdI2{(iPrS)2C=C(H)-N=CPh2] (1) and [HgI2(iPrS)2C=C(H)-N=CPh2] (2). Their crystal structures were solved via X-ray diffraction. Both crystallize in the non-centrosymmetric space groups: monoclinic P21 (1) and orthorhombic P212121 (2), respectively. The closed-shell d10 metal centers are four-coordinated (two iodides and S and N coordinating atoms from the ligand L) in both complexes. The geometrical indexes τ indicate that a highly distorted trigonal pyramidal is adopted for 1 and a seesaw geometry for 2. The comparative nature of metal–ligand bonds is discussed on the basis of metric parameters and of QT-AIM (quantum theory of atoms in molecules) calculations. L was also treated with CuI to obtain the dinuclear species [LCu(μ2-I2)CuL] (3), in which the two Cu(I) centers are linked by a short metal–metal bond. The geometric and electronic properties of 3 are compared with those of 1 and 2.
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(This article belongs to the Section Crystallography)
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Open AccessArticle
New Polymorph of β-Cyclodextrin with a Higher Bioavailability
by
, , , and
Chemistry 2024, 6(1), 51-61; https://doi.org/10.3390/chemistry6010003 - 23 Dec 2023
Abstract
A new polymorph of anhydrous β-cyclodextrin (polymorph III) was obtained and characterized for the first time using powder X-ray diffraction, infrared spectroscopy, and thermal analysis. The solution enthalpy and time of dissolution in water were determined using solution calorimetry for this polymorph and
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A new polymorph of anhydrous β-cyclodextrin (polymorph III) was obtained and characterized for the first time using powder X-ray diffraction, infrared spectroscopy, and thermal analysis. The solution enthalpy and time of dissolution in water were determined using solution calorimetry for this polymorph and compared with those of the dried commercial form of β-cyclodextrin (polymorph I), its amorphous form, and 2-hydroxypropyl-β-cyclodextrin. The specific heat capacities of polymorphs I and III were determined using differential scanning calorimetry across a wide range of temperatures, providing enthalpy and Gibbs energy values for the polymorphic transition at 298 K. The affinities of polymorph III and 2-hydroxypropyl-β-cyclodextrin for water were characterized by determining their hydration isotherms, which provided values of hydration Gibbs energy. Being energy-rich, the new-found polymorph of β-cyclodextrin has a significantly higher dissolution rate and an increased affinity for water compared with the dried commercial form of β-cyclodextrin. These properties render the new polymorph promising in industrial applications for guest inclusion in aqueous solutions and pastes, and may be a desirable alternative for water-soluble β-cyclodextrin derivatives.
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(This article belongs to the Section Supramolecular Chemistry)
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Pure Hydrolysis of Polyamides: A Comparative Study
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, , and
Chemistry 2024, 6(1), 13-50; https://doi.org/10.3390/chemistry6010002 - 20 Dec 2023
Abstract
Polyamides (PAs) undergo local environmental degradation, leading to a decline in their mechanical properties over time. PAs can experience various forms of degradation, such as thermal degradation, oxidation, hydrothermal oxidation, UV oxidation, and hydrolysis. In order to better comprehend the degradation process of
[...] Read more.
Polyamides (PAs) undergo local environmental degradation, leading to a decline in their mechanical properties over time. PAs can experience various forms of degradation, such as thermal degradation, oxidation, hydrothermal oxidation, UV oxidation, and hydrolysis. In order to better comprehend the degradation process of PAs, it is crucial to understand each of these degradation mechanisms individually. While this review focuses on hydrolysis, the data from degrading similar PAs under pure thermal oxidation and/or hydrothermal oxidation are also collected to grasp more perspective. This review analyzes the available characterization data and evaluates the changes in molecular weight, crystallinity, chemical structure, and mechanical properties of PAs that have aged in oxygen-free water at high temperatures. The molecular weight and mechanical strength decrease as the crystallinity ratio rises over aging time. This development is occurring at a slower rate than degradation in pure thermal oxidation. By combining the data for the changes in mechanical properties with the ones for molecular weight and crystallinity, the point of embrittlement can be not only predicted, but also modeled. This prediction is also shown to be dependent on the fibers, additives, types of PA, pH, and more.
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(This article belongs to the Topic Molecular Topology and Computation)
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Synthesis, Antibacterial Activity, and Cytotoxicity of Azido-Propargyloxy 1,3,5-Triazine Derivatives and Hyperbranched Polymers
by
, , , , , , and
Chemistry 2024, 6(1), 1-12; https://doi.org/10.3390/chemistry6010001 - 19 Dec 2023
Abstract
A new method for the synthesis of azido-propargyloxy derivatives of 1,3,5-triazine has been developed utilizing the nitrosation of hydrazyno-1,3,5-triazines. New hydrazines (2-hydrazino-4,6-bis(propargyloxy)-1,3,5-triazine and 2,4-dihydrazino-6-propargyloxy-1,3,5-triazine) were synthesized and characterized via FTIR, NMR spectroscopy and elemental analysis. The hyperbranched polymers with azide (diazide monomer) and
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A new method for the synthesis of azido-propargyloxy derivatives of 1,3,5-triazine has been developed utilizing the nitrosation of hydrazyno-1,3,5-triazines. New hydrazines (2-hydrazino-4,6-bis(propargyloxy)-1,3,5-triazine and 2,4-dihydrazino-6-propargyloxy-1,3,5-triazine) were synthesized and characterized via FTIR, NMR spectroscopy and elemental analysis. The hyperbranched polymers with azide (diazide monomer) and propargyloxy terminal groups were obtained via the azide-alkyne polycycloaddition reaction of diazide and monoazide AB2-type monomers. The antibacterial activity against Escherichia coli bacteria of 2,4,6-trispropargyloxy-1,3,5-triazine, 2-azido-4,6-bispropargyloxy-1,3,5-triazine, and 2,4-diazido-6-propargyloxy-1,3,5-triazine and their hyperbranched polymers was studied. Only 2,4-diazido-6-propargyloxy-1,3,5-triazine has weak antibacterial activity in comparison with ampicillin. The cytotoxicity of these compounds against M-HeLa, FetMSC, and Vero cell lines was also studied. 2,4,6-trispropargyloxy-1,3,5-triazine does not show any cytotoxic effect (IC50 ≥ 280 µM). It was shown that the presence of an azide group in the compound directly affects the cytotoxic effect. Hyperbranched polymers have a less cytotoxic effect against M-HeLa (IC50 > 100) in comparison with monomers (IC50 = 90–99 µM). This makes it possible to use these polymers as the basis for biocompatible materials in biomedical applications.
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(This article belongs to the Section Medicinal Chemistry)
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Total Synthesis of the Proposed Structure of Indolyl 1,2-Propanediol Alkaloid, 1-(1H-Indol-3-yloxy)propan-2-ol
by
and
Chemistry 2023, 5(4), 2772-2784; https://doi.org/10.3390/chemistry5040177 - 12 Dec 2023
Abstract
The first total synthesis of the proposed structure of unprecedented indolyl derivative bearing 1,2-propanediol moiety is described. Isomerization of 3-alkoxyindolines through indolenium intermediates was the key step in the total synthesis. 1H, 13C-NMR, IR, and HRMS spectra of the synthetic compound
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The first total synthesis of the proposed structure of unprecedented indolyl derivative bearing 1,2-propanediol moiety is described. Isomerization of 3-alkoxyindolines through indolenium intermediates was the key step in the total synthesis. 1H, 13C-NMR, IR, and HRMS spectra of the synthetic compound drastically differed to those of the originally reported structure, which suggests the natural product requires revision.
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(This article belongs to the Section Biological and Natural Products)
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Structural Characterization, Antioxidant, and Antiviral Activity of Sulfated Polysaccharide (Fucoidan) from Sargassum asperifolium (Turner) J. Agardh
Chemistry 2023, 5(4), 2756-2771; https://doi.org/10.3390/chemistry5040176 - 12 Dec 2023
Abstract
Brown algae possess a diverse array of acidic polysaccharides, including fucoidan. The present research intends to investigate the extraction and characterization of algal polysaccharides to explore their antiviral activity. A light brown sulfated polysaccharide was extracted (with a yield of 18% of dry
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Brown algae possess a diverse array of acidic polysaccharides, including fucoidan. The present research intends to investigate the extraction and characterization of algal polysaccharides to explore their antiviral activity. A light brown sulfated polysaccharide was extracted (with a yield of 18% of dry weight) from Sargassum asperifolium algal powder. The results of fractionation of sulfated polysaccharide revealed the occurrence of two primary fractions: low-sulfated polysaccharides (SPF1) and high-sulfated polysaccharides (SPF2). The bioassays conducted on SPF2 demonstrated a greater level of antioxidant activity compared to SPF1, with respective IC50 values of 17 ± 1.3 µg/mL and 31 ± 1.1 μg/mL after a duration of 120 min. The cytotoxicity of SPF2 on Vero cells was determined, and the calculated half-maximal cytotoxic concentration (CC50) was found to be 178 ± 1.05 µg/mL. Based on these results, an antiviral activity assay was conducted on SPF2. The results demonstrated that SPF2 had greater efficacy against Hepatitis A Virus (HAV) compared to Herpes Simplex Virus Type 1 (HSV-1), with corresponding half-maximal inhibitory concentrations (IC50) of 48 ± 1.8 µg/mL and 123 ± 2.6 µg/mL, respectively. The active SPF2 was characterized by FT-IR, 1H, and 13C NMR spectroscopy. The extracted fucoidan can be used as a natural therapeutic agent in combating various viral infections.
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(This article belongs to the Topic Marine Microorganisms: Diversity, Bioactivity and Applications)
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Recent Advances in C–H Functionalization of Pyrenes
Chemistry 2023, 5(4), 2713-2755; https://doi.org/10.3390/chemistry5040175 - 11 Dec 2023
Abstract
In recent years, transition metal-catalyzed C–H activation and site-selective functionalization have been considered to be valuable synthetic tactics to functionalize organic compounds containing multiple C–H bonds. Pyrene is one of the privileged and notorious polycyclic aromatic hydrocarbons. Pyrene and its derivatives have found
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In recent years, transition metal-catalyzed C–H activation and site-selective functionalization have been considered to be valuable synthetic tactics to functionalize organic compounds containing multiple C–H bonds. Pyrene is one of the privileged and notorious polycyclic aromatic hydrocarbons. Pyrene and its derivatives have found applications in various branches of chemical sciences, including organic chemistry, chemical biology, supramolecular sciences, and material sciences. Given the importance of pyrene derivatives, several classical methods, including the C–H functionalization method, have been developed for synthesizing modified pyrene scaffolds. This review attempts to cover the recent developments in the area pertaining to the modification of the pyrene motif through the C–H activation process and the functionalization of C–H bonds present in the pyrene motif, leading to functionalized pyrenes.
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(This article belongs to the Special Issue Catalytic Organic Synthesis—a Special Issue in Honor of Professor Masahiro Miura)
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Chiral Hydroxamic Acid Ligands in the Asymmetric Synthesis of Natural Products
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, , and
Chemistry 2023, 5(4), 2700-2712; https://doi.org/10.3390/chemistry5040174 - 01 Dec 2023
Abstract
Chiral hydroxamic acid (HA) and bis-hydroxamic acid (BHA) ligands have made significant contributions to the field of asymmetric synthesis, particularly in the synthesis of natural products. These ligands possess unique molecular structures that allow for exceptional stereochemical control, leading to their widespread use
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Chiral hydroxamic acid (HA) and bis-hydroxamic acid (BHA) ligands have made significant contributions to the field of asymmetric synthesis, particularly in the synthesis of natural products. These ligands possess unique molecular structures that allow for exceptional stereochemical control, leading to their widespread use in catalytic systems. This review highlights the advancements made in asymmetric synthesis using chiral hydroxamic acid and bis-hydroxamic acid ligands and their impact on the synthesis of complex natural products. This discussion encompasses their role in enantioselective C–C bond formation, the functionalization of C–H bonds, the asymmetric transformations involving heteroatoms, and their application in the total synthesis of natural products. The versatility and efficiency of chiral hydroxamic acid ligands and bis-hydroxamic acid ligands make them invaluable tools for synthetic chemists working towards the efficient and selective synthesis of natural products. This review provides a comprehensive overview of their contributions, showcasing their potential to expand the boundaries of chemical synthesis and access the diverse array of natural product scaffolds.
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(This article belongs to the Topic Catalysis: Homogeneous and Heterogeneous)
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Iron-Promoted 1,5-Substitution Reaction of Endocyclic Enyne Oxiranes with MeMgBr: A Stereoselective Method for the Synthesis of Exocyclic 2,4,5-Trienol Derivatives
Chemistry 2023, 5(4), 2682-2699; https://doi.org/10.3390/chemistry5040173 - 01 Dec 2023
Abstract
The iron-promoted 1,5-substitution reaction of endocyclic oxiranes with MeMgBr yields exocyclic 2,4,5-trienols with high diastereomeric ratios of up to 100:0. However, for the method’s success, the oxirane ring must have a trans-configuration. The reactions exhibit strong stereoselectivity concerning the methylation mode and
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The iron-promoted 1,5-substitution reaction of endocyclic oxiranes with MeMgBr yields exocyclic 2,4,5-trienols with high diastereomeric ratios of up to 100:0. However, for the method’s success, the oxirane ring must have a trans-configuration. The reactions exhibit strong stereoselectivity concerning the methylation mode and the configuration of the resulting exocyclic double bond. Enantiomerically pure enyne oxiranes can be synthesized through Sharpless asymmetric dihydroxylation and subsequent manipulations. With these reagents, it has been possible to produce exocyclic 2,4,5-trienols in enantiopure forms. Importantly, this process maintains chirality without degradation during the center-to-axis transfer of chirality.
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(This article belongs to the Special Issue Catalytic Organic Synthesis—a Special Issue in Honor of Professor Masahiro Miura)
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Open AccessEditorial
Chemistry: A Place to Publish Your Creative Multidisciplinary Research
Chemistry 2023, 5(4), 2677-2681; https://doi.org/10.3390/chemistry5040172 - 27 Nov 2023
Abstract
It is my pleasure to welcome you to Chemistry (ISSN: 2624-8549), an open access peer-reviewed journal that publishes both primary reports and reviews highlighting important advances in fundamental areas of chemistry and/or illustrating the central role of chemistry in bridging the physical
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It is my pleasure to welcome you to Chemistry (ISSN: 2624-8549), an open access peer-reviewed journal that publishes both primary reports and reviews highlighting important advances in fundamental areas of chemistry and/or illustrating the central role of chemistry in bridging the physical and life sciences [...]
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Bioactive Pyrrolo[2,1-f][1,2,4]triazines: Synthesis, Molecular Docking, In Vitro Cytotoxicity Assay and Antiviral Studies
by
, , , , , , , , and
Chemistry 2023, 5(4), 2657-2676; https://doi.org/10.3390/chemistry5040171 - 21 Nov 2023
Abstract
A series of 2,4-disubstituted pyrrolo[2,1-f][1,2,4]triazines containing both aryl and thienyl substituents were synthesized by exploiting the 1,3-cycloaddition reaction of N(1)-ethyl-1,2,4-triazinium tetrafluoroborates with dimethyl acetylenedicarboxylate. The antiviral activity of the synthesized compounds against influenza virus strain A/Puerto Rico/8/34 (H1N1) was studied in
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A series of 2,4-disubstituted pyrrolo[2,1-f][1,2,4]triazines containing both aryl and thienyl substituents were synthesized by exploiting the 1,3-cycloaddition reaction of N(1)-ethyl-1,2,4-triazinium tetrafluoroborates with dimethyl acetylenedicarboxylate. The antiviral activity of the synthesized compounds against influenza virus strain A/Puerto Rico/8/34 (H1N1) was studied in experiments on Madin-Darby canine kidney (MDCK) cell culture. Among the pyrrolo[2,1-f][1,2,4]triazine derivatives, compounds with low toxicity and high antiviral activity were identified. Dimethyl 4-(4-methoxyphenyl)-7-methyl-2-p-tolylpyrrolo[2,1-f][1,2,4]triazine-5,6-dicarboxylate was found to demonstrate the best antiviral activity (IC50 4 µg/mL and selectivity index 188). Based on the results of in vitro tests and molecular docking studies performed, a plausible mechanism of action for these compounds was suggested to involve inhibition of neuraminidase.
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(This article belongs to the Special Issue Tetrapyrrolic Macrocycles: Synthesis, Functionalization and Applications IV)
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The dn Number in Transition Metal Chemistry: Its Utility and Limitations
Chemistry 2023, 5(4), 2630-2656; https://doi.org/10.3390/chemistry5040170 - 21 Nov 2023
Abstract
The dn number or configuration is a very useful parameter in transition metal chemistry because it conveys information about the expected properties of a d-block metal complex, including its shape, magnetism, thermodynamic stability, kinetic lability, and spectroscopic properties. The dn number
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The dn number or configuration is a very useful parameter in transition metal chemistry because it conveys information about the expected properties of a d-block metal complex, including its shape, magnetism, thermodynamic stability, kinetic lability, and spectroscopic properties. The dn number can be determined from either the oxidation state (OS) or valence number (VN) of the metal centre, and since, in most cases, these are numerically equal, the derived dn value is the same. However, examples are discussed where the OS and VN are not equal, which results in unavoidable ambiguities in dn values. Following a discussion of these examples, a revised definition of dn is proposed based on the occupation of the frontier molecular orbitals of the complex.
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(This article belongs to the Special Issue Chemical Bonding)
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New Zwitterionic Imidazolones with Enhanced Water Solubility and Bioavailability: Synthesis, Anticancer Activity, and Molecular Docking
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, , , , , , , , , and
Chemistry 2023, 5(4), 2613-2629; https://doi.org/10.3390/chemistry5040169 - 21 Nov 2023
Abstract
Finding an effective anticancer drug to combat cancer cell resistance remains a challenge. Herein, we synthesized a new series of imidazolone derivatives 4a–4i and assessed their anticancer activities against liver cancer cells (Hep3B), Hela cells, and normal LX2 cells. The imidazolne
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Finding an effective anticancer drug to combat cancer cell resistance remains a challenge. Herein, we synthesized a new series of imidazolone derivatives 4a–4i and assessed their anticancer activities against liver cancer cells (Hep3B), Hela cells, and normal LX2 cells. The imidazolne derivatives were synthesized by the condensation cyclization reaction using the natural product vanillin as a starting material. Among the synthesized imidazolones are those with an alkyl sulfate moiety that are water-soluble and showed enhanced anticancer activity against the tested cancer cells. The anticancer testing results showed that compound 4d with the NO2 group at position 4 of the benzene ring was superior to the other compounds; it showed an IC50 value of 134.2 ± 4.4 µM against Hep3B cells, while compound 4h with the pyridyl moiety showed the highest cytotoxicity against Hela cells with an IC50 of 85.1 ± 2.1 µM. The anticancer activity of some imidazolones was greatly enhanced by adding to them the zwitterionic properties that made them more polar and water-soluble. DNA binding studies with compounds 4a1, 4d, and 4g indicated a docking score ranging from approximately −6.8 to −8.7 kcal/mol. This could be attributed to the outstanding interaction between the molecule and the DNA binding sites, which primarily relies on its inherent capability to establish hydrogen bonds, facilitated by the electron pair present at the oxygen atoms and the drug’s amino group. In conclusion, water-soluble imidazolone with zwitterionic functionality could be a promising tool for the development of anticancer medication. To outline the general idea and the relationships for the effect of the developed compounds under study, as well as their mechanism of action, further extensive research is also necessary.
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(This article belongs to the Section Medicinal Chemistry)
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Polymerization Behavior and Rheological Properties of a Surfactant-Modified Reactive Hydrophobic Monomer
Chemistry 2023, 5(4), 2598-2612; https://doi.org/10.3390/chemistry5040168 - 14 Nov 2023
Abstract
The structures and properties of hydrophobic association polymers can be controlled using micelles. In this work, we synthesize a reactive hydrophobic surfactant monomer, KS-3, from oleic acid, N,N-dimethylpropylenediamine, and allyl chloride. A strong synergistic effect between KS-3 and cocamidopropyl betaine
[...] Read more.
The structures and properties of hydrophobic association polymers can be controlled using micelles. In this work, we synthesize a reactive hydrophobic surfactant monomer, KS-3, from oleic acid, N,N-dimethylpropylenediamine, and allyl chloride. A strong synergistic effect between KS-3 and cocamidopropyl betaine in aqueous solution enhances the hydrophilic dispersibility of KS-3, thereby transforming spherical micelles into cylindrical micelles. KS-3 was grafted onto a polyacrylamide chain via aqueous free-radical polymerization to obtain RES, a hydrophobic association polymer. Structural analysis revealed that the RES polymers assembled in wormlike micelles were more tightly arranged than those assembled in spherical micelles, resulting in a compact network structure in water, smooth surface, and high thermal stability. Rheological tests revealed that the synthesized polymers with wormlike and spherical micelles exhibited shear-thinning properties along with different structural strengths and viscoelasticities. Therefore, controlling the micellar state can effectively regulate the polymer properties. The polymers obtained through wormlike micelle polymerization have potential applications in fields with high demands, such as drug release, water purification, and oilfield development.
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(This article belongs to the Section Organic Materials and Polymers)
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Quantitative Determination of Fluoride Mass Concentration in Beers Produced in Croatia Using the Standard Addition Method in Potentiometry
Chemistry 2023, 5(4), 2588-2597; https://doi.org/10.3390/chemistry5040167 - 14 Nov 2023
Abstract
It is well known that beer is more than 90% water, and therefore, water can be one of the main sources of fluoride in beers. With this in mind, the goal of the present study was to determine the mass concentration of fluoride
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It is well known that beer is more than 90% water, and therefore, water can be one of the main sources of fluoride in beers. With this in mind, the goal of the present study was to determine the mass concentration of fluoride in 53 beer samples. Using the recently published standard addition method in potentiometry, the fluoride content of 28 samples of the most consumed beers in the Republic of Croatia was determined. The remaining 25 beer samples tested came from so-called microbreweries, which together account for less than 10% of the Croatian market. Fluoride concentrations in light beers ranged from 49 to 180 μg L−1, with a mean value of 95 ± 34 μg L−1, and from 52 to 164 μg L−1, with a mean value of 89 ± 29 μg L−1 in dark beers. The mean value of fluoride content in beers from large producers was 100 ± 38 μg L−1 and 89 ± 38 μg L−1 in beers from small producers. All values are within the recommended range and thus do not pose a risk to human health. The statistical analysis showed no correlation between the mass concentration of fluoride and pH, i.e., alcohol content in beers.
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(This article belongs to the Section Food Science)
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Chemistry, Synthesis, and Structure Activity Relationship of Anticancer Quinoxalines
Chemistry 2023, 5(4), 2566-2587; https://doi.org/10.3390/chemistry5040166 - 14 Nov 2023
Abstract
Quinoxaline is a fused heterocycle system of a benzene ring and pyrazine ring. It has earned considerable attention due to its importance in the field of medicinal chemistry. The system is of extensive importance due to its comprehensive array of biological activities. Quinoxaline
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Quinoxaline is a fused heterocycle system of a benzene ring and pyrazine ring. It has earned considerable attention due to its importance in the field of medicinal chemistry. The system is of extensive importance due to its comprehensive array of biological activities. Quinoxaline derivatives have been used as anticancer, anticonvulsant, anti-inflammatory, antidiabetic, antioxidant, antibacterial, anti-TB, antimalarial, antiviral, anti-HIV, and many other uses. Variously substituted quinoxalines are significant therapeutic agents in the pharmaceutical industry. This review spotlights on the chemistry, physiochemical characters, synthesis, pharmaceutical products, and medicinal chemistry of various anticancer quinoxaline derivatives that were developed in the last period. It covers the period from 2016 to 2023.
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(This article belongs to the Section Medicinal Chemistry)
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