molecules-logo

Journal Browser

Journal Browser

Featured Reviews in Applied Chemistry

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Applied Chemistry".

Deadline for manuscript submissions: closed (31 December 2022) | Viewed by 69319

Special Issue Editor


E-Mail Website
Guest Editor
Institute of Chemistry, University of Opole, 48, Oleska Street, 45-052 Opole, Poland
Interests: nuclear magnetic shielding tensor; GIAO NMR; indirect spin-spin coupling constants; ZPV corrections to nuclear magnetic shielding; temperature correction (TC); solvent effect; relativistic corrections (RC); bioactive compounds; natural products
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The development of science and technology has given us a lot of benefits. Chemistry is a field that has greatly contributed to this development. Applied chemistry covers a variety of chemical fields, considering on various materials, including metal compounds, inorganic and organic compounds, polymers, proteins, etc., focussing on basic researches and their applications.

This Special Issue is designed to gather review papers in applied chemistry. We kindly invite and encourage all research groups covering various applied chemistry areas to make contributions to this Special Issue.

Dr. Teobald Kupka
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Published Papers (16 papers)

Order results
Result details
Select all
Export citation of selected articles as:

Review

26 pages, 13089 KiB  
Review
How Theoretical Evaluations Can Generate Guidelines for Designing/Engineering Metalloproteins with Desired Metal Affinity and Selectivity
by Todor Dudev
Molecules 2023, 28(1), 249; https://doi.org/10.3390/molecules28010249 - 28 Dec 2022
Viewed by 1174
Abstract
Almost half of all known proteins contain metal co-factors. Crucial for the flawless performance of a metalloprotein is the selection with high fidelity of the cognate metal cation from the surrounding biological fluids. Therefore, elucidating the factors controlling the metal binding and selectivity [...] Read more.
Almost half of all known proteins contain metal co-factors. Crucial for the flawless performance of a metalloprotein is the selection with high fidelity of the cognate metal cation from the surrounding biological fluids. Therefore, elucidating the factors controlling the metal binding and selectivity in metalloproteins is of particular significance. The knowledge thus acquired not only contributes to better understanding of the intimate mechanism of these events but, also, significantly enriches the researcher’s toolbox that could be used in designing/engineering novel metalloprotein structures with pre-programmed properties. A powerful tool in aid of deciphering the physical principles behind the processes of metal recognition and selectivity is theoretical modeling of metal-containing biological structures. This review summarizes recent findings in the field with an emphasis on elucidating the major factors governing these processes. The results from theoretical evaluations are discussed. It is the hope that the physical principles evaluated can serve as guidelines in designing/engineering of novel metalloproteins of interest to both science and industry. Full article
(This article belongs to the Special Issue Featured Reviews in Applied Chemistry)
Show Figures

Figure 1

22 pages, 1589 KiB  
Review
Promising Nanocarriers to Enhance Solubility and Bioavailability of Cannabidiol for a Plethora of Therapeutic Opportunities
by Lucia Grifoni, Giulia Vanti, Rosa Donato, Cristiana Sacco and Anna Rita Bilia
Molecules 2022, 27(18), 6070; https://doi.org/10.3390/molecules27186070 - 17 Sep 2022
Cited by 27 | Viewed by 3974
Abstract
In recent years, the interest in cannabidiol (CBD) has increased because of the lack of psychoactive properties. However, CBD has low solubility and bioavailability, variable pharmacokinetics profiles, poor stability, and a pronounced presystemic metabolism. CBD nanoformulations include nanosuspensions, polymeric micelles and nanoparticles, hybrid [...] Read more.
In recent years, the interest in cannabidiol (CBD) has increased because of the lack of psychoactive properties. However, CBD has low solubility and bioavailability, variable pharmacokinetics profiles, poor stability, and a pronounced presystemic metabolism. CBD nanoformulations include nanosuspensions, polymeric micelles and nanoparticles, hybrid nanoparticles jelled in cross-linked chitosan, and numerous nanosized lipid formulations, including nanostructured lipid carriers, vesicles, SNEEDS, nanoemulsions, and microemulsions. Nanoformulations have resulted in high CBD solubility, encapsulation efficiency, and stability, and sustained CBD release. Some studies assessed the increased Cmax and AUC and decreased Tmax. A rational evaluation of the studies reported in this review evidences how some of them are very preliminary and should be completed before performing clinical trials. Almost all the developed nanoparticles have simple architectures, are well-known and safe nanocarriers, or are even simple nanosuspensions. In addition, the conventional routes of administration are generally investigated. As a consequence, many of these studies are almost ready for forthcoming clinical translations. Some of the developed nanosystems are very promising for a plethora of therapeutic opportunities because of the versatility in terms of the release, the crossing of physiological barriers, and the number of possible routes of administration. Full article
(This article belongs to the Special Issue Featured Reviews in Applied Chemistry)
Show Figures

Graphical abstract

30 pages, 1621 KiB  
Review
The Static Magnetic Field Regulates the Structure, Biochemical Activity, and Gene Expression of Plants
by Bogdan Saletnik, Aneta Saletnik, Ewelina Słysz, Grzegorz Zaguła, Marcin Bajcar, Anna Puchalska-Sarna and Czesław Puchalski
Molecules 2022, 27(18), 5823; https://doi.org/10.3390/molecules27185823 - 08 Sep 2022
Cited by 10 | Viewed by 2654
Abstract
The purpose of this paper is to review the scientific results and summarise the emerging topic of the effects of statistic magnetic field on the structure, biochemical activity, and gene expression of plants. The literature on the subject reports a wide range of [...] Read more.
The purpose of this paper is to review the scientific results and summarise the emerging topic of the effects of statistic magnetic field on the structure, biochemical activity, and gene expression of plants. The literature on the subject reports a wide range of possibilities regarding the use of the magnetic field to modify the properties of plant cells. MFs have a significant impact on the photosynthesis efficiency of the biomass and vigour accumulation indexes. Treating plants with SMFs accelerates the formation and accumulation of reactive oxygen species. At the same time, the influence of MFs causes the high activity of antioxidant enzymes, which reduces oxidative stress. SMFs have a strong influence on the shape of the cell and the structure of the cell membrane, thus increasing their permeability and influencing the various activities of the metabolic pathways. The use of magnetic treatments on plants causes a higher content of proteins, carbohydrates, soluble and reducing sugars, and in some cases, lipids and fatty acid composition and influences the uptake of macro- and microelements and different levels of gene expression. In this study, the effect of MFs was considered as a combination of MF intensity and time exposure, for different varieties and plant species. The following article shows the wide-ranging possibilities of applying magnetic fields to the dynamics of changes in the life processes and structures of plants. Thus far, the magnetic field is not widely used in agricultural practice. The current knowledge about the influence of MFs on plant cells is still insufficient. It is, therefore, necessary to carry out detailed research for a more in-depth understanding of the possibilities of modifying the properties of plant cells and achieving the desired effects by means of a magnetic field. Full article
(This article belongs to the Special Issue Featured Reviews in Applied Chemistry)
Show Figures

Figure 1

64 pages, 31638 KiB  
Review
Analytical and Structural Tools of Lipid Hydroperoxides: Present State and Future Perspectives
by Vassiliki G. Kontogianni and Ioannis P. Gerothanassis
Molecules 2022, 27(7), 2139; https://doi.org/10.3390/molecules27072139 - 25 Mar 2022
Cited by 13 | Viewed by 3172
Abstract
Mono- and polyunsaturated lipids are particularly susceptible to peroxidation, which results in the formation of lipid hydroperoxides (LOOHs) as primary nonradical-reaction products. LOOHs may undergo degradation to various products that have been implicated in vital biological reactions, and thus in the pathogenesis of [...] Read more.
Mono- and polyunsaturated lipids are particularly susceptible to peroxidation, which results in the formation of lipid hydroperoxides (LOOHs) as primary nonradical-reaction products. LOOHs may undergo degradation to various products that have been implicated in vital biological reactions, and thus in the pathogenesis of various diseases. The structure elucidation and qualitative and quantitative analysis of lipid hydroperoxides are therefore of great importance. The objectives of the present review are to provide a critical analysis of various methods that have been widely applied, and more specifically on volumetric methods, applications of UV-visible, infrared, Raman/surface-enhanced Raman, fluorescence and chemiluminescence spectroscopies, chromatographic methods, hyphenated MS techniques, NMR and chromatographic methods, NMR spectroscopy in mixture analysis, structural investigations based on quantum chemical calculations of NMR parameters, applications in living cells, and metabolomics. Emphasis will be given to analytical and structural methods that can contribute significantly to the molecular basis of the chemical process involved in the formation of lipid hydroperoxides without the need for the isolation of the individual components. Furthermore, future developments in the field will be discussed. Full article
(This article belongs to the Special Issue Featured Reviews in Applied Chemistry)
Show Figures

Figure 1

95 pages, 10734 KiB  
Review
Modern Carbon–Based Materials for Adsorptive Removal of Organic and Inorganic Pollutants from Water and Wastewater
by Vera I. Isaeva, Marina D. Vedenyapina, Alexandra Yu. Kurmysheva, Dirk Weichgrebe, Rahul Ramesh Nair, Ngoc Phuong Thanh Nguyen and Leonid M. Kustov
Molecules 2021, 26(21), 6628; https://doi.org/10.3390/molecules26216628 - 01 Nov 2021
Cited by 34 | Viewed by 5642
Abstract
Currently, a serious threat for living organisms and human life in particular, is water contamination with persistent organic and inorganic pollutants. To date, several techniques have been adopted to remove/treat organics and toxic contaminants. Adsorption is one of the most effective and economical [...] Read more.
Currently, a serious threat for living organisms and human life in particular, is water contamination with persistent organic and inorganic pollutants. To date, several techniques have been adopted to remove/treat organics and toxic contaminants. Adsorption is one of the most effective and economical methods for this purpose. Generally, porous materials are considered as appropriate adsorbents for water purification. Conventional adsorbents such as activated carbons have a limited possibility of surface modification (texture and functionality), and their adsorption capacity is difficult to control. Therefore, despite the significant progress achieved in the development of the systems for water remediation, there is still a need for novel adsorptive materials with tunable functional characteristics. This review addresses the new trends in the development of new adsorbent materials. Herein, modern carbon-based materials, such as graphene, oxidized carbon, carbon nanotubes, biomass-derived carbonaceous matrices—biochars as well as their composites with metal-organic frameworks (MOFs) and MOF-derived highly-ordered carbons are considered as advanced adsorbents for removal of hazardous organics from drinking water, process water, and leachate. The review is focused on the preparation and modification of these next-generation carbon-based adsorbents and analysis of their adsorption performance including possible adsorption mechanisms. Simultaneously, some weak points of modern carbon-based adsorbents are analyzed as well as the routes to conquer them. For instance, for removal of large quantities of pollutants, the combination of adsorption and other methods, like sedimentation may be recommended. A number of efficient strategies for further enhancing the adsorption performance of the carbon-based adsorbents, in particular, integrating approaches and further rational functionalization, including composing these adsorbents (of two or even three types) can be recommended. The cost reduction and efficient regeneration must also be in the focus of future research endeavors. The targeted optimization of the discussed carbon-based adsorbents associated with detailed studies of the adsorption process, especially, for multicomponent adsorbate solution, will pave a bright avenue for efficient water remediation. Full article
(This article belongs to the Special Issue Featured Reviews in Applied Chemistry)
Show Figures

Figure 1

41 pages, 67149 KiB  
Review
Novel Synthetic Approach to Heteroatom Doped Polycyclic Aromatic Hydrocarbons: Optimizing the Bottom-Up Approach to Atomically Precise Doped Nanographenes
by Giacomo Biagiotti, Ilaria Perini, Barbara Richichi and Stefano Cicchi
Molecules 2021, 26(20), 6306; https://doi.org/10.3390/molecules26206306 - 19 Oct 2021
Cited by 12 | Viewed by 5501
Abstract
The success of the rational bottom-up approach to nanostructured carbon materials and the discovery of the importance of their doping with heteroatoms puts under the spotlight all synthetic organic approaches to polycyclic aromatic hydrocarbons. The construction of atomically precise heteroatom doped nanographenes has [...] Read more.
The success of the rational bottom-up approach to nanostructured carbon materials and the discovery of the importance of their doping with heteroatoms puts under the spotlight all synthetic organic approaches to polycyclic aromatic hydrocarbons. The construction of atomically precise heteroatom doped nanographenes has evidenced the importance of controlling its geometry and the position of the doping heteroatoms, since these parameters influence their chemical–physical properties and their applications. The growing interest towards this research topic is testified by the large number of works published in this area, which have transformed a once “fundamental research” into applied research at the cutting edge of technology. This review analyzes the most recent synthetic approaches to this class of compounds. Full article
(This article belongs to the Special Issue Featured Reviews in Applied Chemistry)
Show Figures

Figure 1

23 pages, 3713 KiB  
Review
Classification of So-Called Non-Covalent Interactions Based on VSEPR Model
by Sławomir J. Grabowski
Molecules 2021, 26(16), 4939; https://doi.org/10.3390/molecules26164939 - 15 Aug 2021
Cited by 16 | Viewed by 2594
Abstract
The variety of interactions have been analyzed in numerous studies. They are often compared with the hydrogen bond that is crucial in numerous chemical and biological processes. One can mention such interactions as the halogen bond, pnicogen bond, and others that may be [...] Read more.
The variety of interactions have been analyzed in numerous studies. They are often compared with the hydrogen bond that is crucial in numerous chemical and biological processes. One can mention such interactions as the halogen bond, pnicogen bond, and others that may be classified as σ-hole bonds. However, not only σ-holes may act as Lewis acid centers. Numerous species are characterized by the occurrence of π-holes, which also may play a role of the electron acceptor. The situation is complicated since numerous interactions, such as the pnicogen bond or the chalcogen bond, for example, may be classified as a σ-hole bond or π-hole bond; it ultimately depends on the configuration at the Lewis acid centre. The disadvantage of classifications of interactions is also connected with their names, derived from the names of groups such as halogen and tetrel bonds or from single elements such as hydrogen and carbon bonds. The chaos is aggravated by the properties of elements. For example, a hydrogen atom can act as the Lewis acid or as the Lewis base site if it is positively or negatively charged, respectively. Hence names of the corresponding interactions occur in literature, namely hydrogen bonds and hydride bonds. There are other numerous disadvantages connected with classifications and names of interactions; these are discussed in this study. Several studies show that the majority of interactions are ruled by the same mechanisms related to the electron charge shifts, and that the occurrence of numerous interactions leads to specific changes in geometries of interacting species. These changes follow the rules of the valence-shell electron-pair repulsion model (VSEPR). That is why the simple classification of interactions based on VSEPR is proposed here. This classification is still open since numerous processes and interactions not discussed in this study may be included within it. Full article
(This article belongs to the Special Issue Featured Reviews in Applied Chemistry)
Show Figures

Figure 1

20 pages, 3534 KiB  
Review
Protein and Polysaccharide-Based Electroactive and Conductive Materials for Biomedical Applications
by Xiao Hu, Samuel Ricci, Sebastian Naranjo, Zachary Hill and Peter Gawason
Molecules 2021, 26(15), 4499; https://doi.org/10.3390/molecules26154499 - 26 Jul 2021
Cited by 10 | Viewed by 5040
Abstract
Electrically responsive biomaterials are an important and emerging technology in the fields of biomedical and material sciences. A great deal of research explores the integral role of electrical conduction in normal and diseased cell biology, and material scientists are focusing an even greater [...] Read more.
Electrically responsive biomaterials are an important and emerging technology in the fields of biomedical and material sciences. A great deal of research explores the integral role of electrical conduction in normal and diseased cell biology, and material scientists are focusing an even greater amount of attention on natural and hybrid materials as sources of biomaterials which can mimic the properties of cells. This review establishes a summary of those efforts for the latter group, detailing the current materials, theories, methods, and applications of electrically conductive biomaterials fabricated from protein polymers and polysaccharides. These materials can be used to improve human life through novel drug delivery, tissue regeneration, and biosensing technologies. The immediate goal of this review is to establish fabrication methods for protein and polysaccharide-based materials that are biocompatible and feature modular electrical properties. Ideally, these materials will be inexpensive to make with salable production strategies, in addition to being both renewable and biocompatible. Full article
(This article belongs to the Special Issue Featured Reviews in Applied Chemistry)
Show Figures

Figure 1

13 pages, 2492 KiB  
Review
Oxazolidinone Antibiotics: Chemical, Biological and Analytical Aspects
by Claudia Foti, Anna Piperno, Angela Scala and Ottavia Giuffrè
Molecules 2021, 26(14), 4280; https://doi.org/10.3390/molecules26144280 - 14 Jul 2021
Cited by 53 | Viewed by 7809
Abstract
This review covers the main aspects concerning the chemistry, the biological activity and the analytical determination of oxazolidinones, the only new class of synthetic antibiotics advanced in clinical use over the past 50 years. They are characterized by a chemical structure including the [...] Read more.
This review covers the main aspects concerning the chemistry, the biological activity and the analytical determination of oxazolidinones, the only new class of synthetic antibiotics advanced in clinical use over the past 50 years. They are characterized by a chemical structure including the oxazolidone ring with the S configuration of substituent at C5, the acylaminomethyl group linked to C5 and the N-aryl substituent. The synthesis of oxazolidinones has gained increasing interest due to their unique mechanism of action that assures high antibiotic efficiency and low susceptibility to resistance mechanisms. Here, the main features of oxazolidinone antibiotics licensed or under development, such as Linezolid, Sutezolid, Eperezolid, Radezolid, Contezolid, Posizolid, Tedizolid, Delpazolid and TBI-223, are discussed. As they are protein synthesis inhibitors active against a wide spectrum of multidrug-resistant Gram-positive bacteria, their biological activity is carefully analyzed, together with the drug delivery systems recently developed to overcome the poor oxazolidinone water solubility. Finally, the most employed analytical techniques for oxazolidinone determination in different matrices, such as biological fluids, tissues, drugs and natural waters, are reviewed. Most are based on HPLC (High Performance Liquid Chromatography) coupled with UV-Vis or mass spectrometer detectors, but, to a lesser extent are also based on spectrofluorimetry or voltammetry. Full article
(This article belongs to the Special Issue Featured Reviews in Applied Chemistry)
Show Figures

Graphical abstract

24 pages, 9742 KiB  
Review
NMR of Natural Products as Potential Drugs
by Poul Erik Hansen
Molecules 2021, 26(12), 3763; https://doi.org/10.3390/molecules26123763 - 21 Jun 2021
Cited by 9 | Viewed by 3496
Abstract
This review outlines methods to investigate the structure of natural products with emphasis on intramolecular hydrogen bonding, tautomerism and ionic structures using NMR techniques. The focus is on 1H chemical shifts, isotope effects on chemical shifts and diffusion ordered spectroscopy. In addition, density [...] Read more.
This review outlines methods to investigate the structure of natural products with emphasis on intramolecular hydrogen bonding, tautomerism and ionic structures using NMR techniques. The focus is on 1H chemical shifts, isotope effects on chemical shifts and diffusion ordered spectroscopy. In addition, density functional theory calculations are performed to support NMR results. The review demonstrates how hydrogen bonding may lead to specific structures and how chemical equilibria, as well as tautomeric equilibria and ionic structures, can be detected. All these features are important for biological activity and a prerequisite for correct docking experiments and future use as drugs. Full article
(This article belongs to the Special Issue Featured Reviews in Applied Chemistry)
Show Figures

Figure 1

25 pages, 6786 KiB  
Review
Artificial Neural Networks for Pyrolysis, Thermal Analysis, and Thermokinetic Studies: The Status Quo
by Nikita V. Muravyev, Giorgio Luciano, Heitor Luiz Ornaghi, Jr., Roman Svoboda and Sergey Vyazovkin
Molecules 2021, 26(12), 3727; https://doi.org/10.3390/molecules26123727 - 18 Jun 2021
Cited by 31 | Viewed by 3323
Abstract
Artificial neural networks (ANNs) are a method of machine learning (ML) that is now widely used in physics, chemistry, and material science. ANN can learn from data to identify nonlinear trends and give accurate predictions. ML methods, and ANNs in particular, have already [...] Read more.
Artificial neural networks (ANNs) are a method of machine learning (ML) that is now widely used in physics, chemistry, and material science. ANN can learn from data to identify nonlinear trends and give accurate predictions. ML methods, and ANNs in particular, have already demonstrated their worth in solving various chemical engineering problems, but applications in pyrolysis, thermal analysis, and, especially, thermokinetic studies are still in an initiatory stage. The present article gives a critical overview and summary of the available literature on applying ANNs in the field of pyrolysis, thermal analysis, and thermokinetic studies. More than 100 papers from these research areas are surveyed. Some approaches from the broad field of chemical engineering are discussed as the venues for possible transfer to the field of pyrolysis and thermal analysis studies in general. It is stressed that the current thermokinetic applications of ANNs are yet to evolve significantly to reach the capabilities of the existing isoconversional and model-fitting methods. Full article
(This article belongs to the Special Issue Featured Reviews in Applied Chemistry)
Show Figures

Figure 1

30 pages, 15214 KiB  
Review
The Peptide Functionalized Inorganic Nanoparticles for Cancer-Related Bioanalytical and Biomedical Applications
by Xiaotong Li, Minghong Jian, Yanhong Sun, Qunyan Zhu and Zhenxin Wang
Molecules 2021, 26(11), 3228; https://doi.org/10.3390/molecules26113228 - 27 May 2021
Cited by 21 | Viewed by 4681
Abstract
In order to improve their bioapplications, inorganic nanoparticles (NPs) are usually functionalized with specific biomolecules. Peptides with short amino acid sequences have attracted great attention in the NP functionalization since they are easy to be synthesized on a large scale by the automatic [...] Read more.
In order to improve their bioapplications, inorganic nanoparticles (NPs) are usually functionalized with specific biomolecules. Peptides with short amino acid sequences have attracted great attention in the NP functionalization since they are easy to be synthesized on a large scale by the automatic synthesizer and can integrate various functionalities including specific biorecognition and therapeutic function into one sequence. Conjugation of peptides with NPs can generate novel theranostic/drug delivery nanosystems with active tumor targeting ability and efficient nanosensing platforms for sensitive detection of various analytes, such as heavy metallic ions and biomarkers. Massive studies demonstrate that applications of the peptide–NP bioconjugates can help to achieve the precise diagnosis and therapy of diseases. In particular, the peptide–NP bioconjugates show tremendous potential for development of effective anti-tumor nanomedicines. This review provides an overview of the effects of properties of peptide functionalized NPs on precise diagnostics and therapy of cancers through summarizing the recent publications on the applications of peptide–NP bioconjugates for biomarkers (antigens and enzymes) and carcinogens (e.g., heavy metallic ions) detection, drug delivery, and imaging-guided therapy. The current challenges and future prospects of the subject are also discussed. Full article
(This article belongs to the Special Issue Featured Reviews in Applied Chemistry)
Show Figures

Figure 1

38 pages, 38270 KiB  
Review
Recent Advances in bis-Chalcone-Based Photoinitiators of Polymerization: From Mechanistic Investigations to Applications
by Nicolas Giacoletto and Frédéric Dumur
Molecules 2021, 26(11), 3192; https://doi.org/10.3390/molecules26113192 - 26 May 2021
Cited by 48 | Viewed by 3879
Abstract
Over the past several decades, photopolymerization has become an active research field, and the ongoing efforts to develop new photoinitiating systems are supported by the different applications in which this polymerization technique is involved—including dentistry, 3D and 4D printing, adhesives, and laser writing. [...] Read more.
Over the past several decades, photopolymerization has become an active research field, and the ongoing efforts to develop new photoinitiating systems are supported by the different applications in which this polymerization technique is involved—including dentistry, 3D and 4D printing, adhesives, and laser writing. In the search for new structures, bis-chalcones that combine two chalcones’ moieties within a unique structure were determined as being promising photosensitizers to initiate both the free-radical polymerization of acrylates and the cationic polymerization of epoxides. In this review, an overview of the different bis-chalcones reported to date is provided. Parallel to the mechanistic investigations aiming at elucidating the polymerization mechanisms, bis-chalcones-based photoinitiating systems were used for different applications, which are detailed in this review. Full article
(This article belongs to the Special Issue Featured Reviews in Applied Chemistry)
Show Figures

Graphical abstract

65 pages, 14206 KiB  
Review
Computational NMR of Carbohydrates: Theoretical Background, Applications, and Perspectives
by Leonid B. Krivdin
Molecules 2021, 26(9), 2450; https://doi.org/10.3390/molecules26092450 - 22 Apr 2021
Cited by 20 | Viewed by 3956
Abstract
This review is written amid a marked progress in the calculation of NMR parameters of carbohydrates substantiated by a vast amount of experimental data coming from several laboratories worldwide. By no means are we trying to cover in the present compilation a huge [...] Read more.
This review is written amid a marked progress in the calculation of NMR parameters of carbohydrates substantiated by a vast amount of experimental data coming from several laboratories worldwide. By no means are we trying to cover in the present compilation a huge amount of all available data. The main idea of the present review was only to outline general trends and perspectives in this dynamically developing area on the background of a marked progress in theoretical and computational NMR. Presented material is arranged in three basic sections: (1)—a brief theoretical introduction; (2)—applications and perspectives in computational NMR of monosaccharides; and (3)—calculation of NMR chemical shifts and spin-spin coupling constants of di- and polysaccharides. Full article
(This article belongs to the Special Issue Featured Reviews in Applied Chemistry)
Show Figures

Figure 1

21 pages, 5111 KiB  
Review
Noncovalent Bonds through Sigma and Pi-Hole Located on the Same Molecule. Guiding Principles and Comparisons
by Wiktor Zierkiewicz, Mariusz Michalczyk and Steve Scheiner
Molecules 2021, 26(6), 1740; https://doi.org/10.3390/molecules26061740 - 20 Mar 2021
Cited by 33 | Viewed by 4485
Abstract
Over the last years, scientific interest in noncovalent interactions based on the presence of electron-depleted regions called σ-holes or π-holes has markedly accelerated. Their high directionality and strength, comparable to hydrogen bonds, has been documented in many fields of modern chemistry. The current [...] Read more.
Over the last years, scientific interest in noncovalent interactions based on the presence of electron-depleted regions called σ-holes or π-holes has markedly accelerated. Their high directionality and strength, comparable to hydrogen bonds, has been documented in many fields of modern chemistry. The current review gathers and digests recent results concerning these bonds, with a focus on those systems where both σ and π-holes are present on the same molecule. The underlying principles guiding the bonding in both sorts of interactions are discussed, and the trends that emerge from recent work offer a guide as to how one might design systems that allow multiple noncovalent bonds to occur simultaneously, or that prefer one bond type over another. Full article
(This article belongs to the Special Issue Featured Reviews in Applied Chemistry)
Show Figures

Graphical abstract

38 pages, 9377 KiB  
Review
Selective Styrene Oxidation to Benzaldehyde over Recently Developed Heterogeneous Catalysts
by Marta A. Andrade and Luísa M. D. R. S. Martins
Molecules 2021, 26(6), 1680; https://doi.org/10.3390/molecules26061680 - 17 Mar 2021
Cited by 34 | Viewed by 5208
Abstract
The selective oxidation of styrene under heterogeneous catalyzed conditions delivers environmentally friendly paths for the production of benzaldehyde, an important intermediate for the synthesis of several products. The present review explores heterogeneous catalysts for styrene oxidation using a variety of metal catalysts over [...] Read more.
The selective oxidation of styrene under heterogeneous catalyzed conditions delivers environmentally friendly paths for the production of benzaldehyde, an important intermediate for the synthesis of several products. The present review explores heterogeneous catalysts for styrene oxidation using a variety of metal catalysts over the last decade. The use of several classes of supports is discussed, including metal–organic frameworks, zeolites, carbon materials and silicas, among others. The studied catalytic systems propose as most used oxidants tert-butyl hydroperoxide, and hydrogen peroxide and mild reaction conditions. The reaction mechanism proceeds through the generation of an intermediate reactive metal–oxygen species by catalyst-oxidant interactions. Overall, most of the studies highlight the synergetic effects among the metal and support for the activity and selectivity enhancement. Full article
(This article belongs to the Special Issue Featured Reviews in Applied Chemistry)
Show Figures

Figure 1

Back to TopTop