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Feature Papers in Compounds
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Feature Papers in Compounds

A special issue of Compounds (ISSN 2673-6918).

Deadline for manuscript submissions: closed (30 June 2022) | Viewed by 56121

Printed Edition Available!
A printed edition of this Special Issue is available here.

Special Issue Editor

Prof. Dr. Juan C. Mejuto

E-Mail Website1 Website2
Guest Editor
Department of Physical Chemistry, Faculty of Science, University of Vigo, Ourense, Spain
Interests: physical organic and physical inorganic chemistry; reactivity mechanisms in homogeneous and microheterogeneous media; stability of self-assembly aggregates, and supramolecular chemistry
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

As Editor-in-Chief of Compounds, I am delighted to present this Special Issue of “Feature Papers in Compounds” in the newly launched Compounds journal. Compounds is a new, international, open access and peer-reviewed journal that publishes original research and scholarship, contributing to the expanding field of compounds research. Compounds intends to inform and to stimulate interest and debate in advancing the scientific basis of the discipline.

This Special Issue of Compounds will comprise a collection of high-quality papers published free of charge in open access form by Editorial Board Members and authors invited by the Editorial Office and the Editor-in-Chief. Both original research articles and comprehensive review papers are welcome.

Prof. Dr. Juan Mejuto
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. Compounds is an international peer-reviewed open access quarterly 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 1000 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.

Keywords

  • Organic/inorganic compounds
  • Chemistry
  • Materials
  • Catalysis
  • Simulation and modeling

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Published Papers (15 papers)

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Editorial

Jump to: Research, Review

3 pages, 210 KiB  
Editorial
Feature Papers in Compounds
by Juan C. Mejuto
Compounds 2022, 2(4), 237-239; https://0-doi-org.brum.beds.ac.uk/10.3390/compounds2040019 - 01 Oct 2022
Viewed by 1062
Abstract
Nearly two years ago, when Compounds was founded, the journal was introduced as an interdisciplinary tool for the scientific community to present their scientific results in an open access format so that their findings are disseminated quickly and efficiently [...] Full article
(This article belongs to the Special Issue Feature Papers in Compounds)

Research

Jump to: Editorial, Review

9 pages, 1014 KiB  
Communication
Synthesis of Thiazolidinedione Compound Library
by Fehmi Damkaci, Adam A. Szymaniak, Jason P. Biasini and Ryan Cotroneo
Compounds 2022, 2(3), 182-190; https://0-doi-org.brum.beds.ac.uk/10.3390/compounds2030013 - 05 Jul 2022
Cited by 2 | Viewed by 2785
Abstract
Thiazolidinediones (TZDs), also known as Glitazones, have anti-diabetic, anti-inflammatory and anti-cancer properties. A simple, efficient and cost-effective synthesis of a thiazolidinedione compound library was developed. The synthesis is facilitated by microwave irradiation in three of the four steps followed by reduction under pressurized [...] Read more.
Thiazolidinediones (TZDs), also known as Glitazones, have anti-diabetic, anti-inflammatory and anti-cancer properties. A simple, efficient and cost-effective synthesis of a thiazolidinedione compound library was developed. The synthesis is facilitated by microwave irradiation in three of the four steps followed by reduction under pressurized hydrogen gas using palladium hydroxide. All reactions, except one, were completed within an hour and provided desired products in moderate to good yields after a simple work-up. Full article
(This article belongs to the Special Issue Feature Papers in Compounds)
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19 pages, 3285 KiB  
Article
DNA and BSA Interaction Studies and Antileukemic Evaluation of Polyaromatic Thiosemicarbazones and Their Copper Complexes
by Giorgio Pelosi, Silvana Pinelli and Franco Bisceglie
Compounds 2022, 2(2), 144-162; https://0-doi-org.brum.beds.ac.uk/10.3390/compounds2020011 - 23 May 2022
Cited by 4 | Viewed by 2112
Abstract
Some ten million cancer deaths occurred in 2020, highlighting the fact that the search for new anticancer drugs remains extremely topical. In the search for new coordination compounds with relevant biological properties, the choice of a metal ion is important for the design [...] Read more.
Some ten million cancer deaths occurred in 2020, highlighting the fact that the search for new anticancer drugs remains extremely topical. In the search for new coordination compounds with relevant biological properties, the choice of a metal ion is important for the design of the complex. In this regard, copper plays a peculiar role, thanks to its distinct properties. Thiosemicarbazones are, analogously, a unique class of ligands because they are easily modifiable, and therefore, extremely versatile in terms of modulating molecular properties. In this work, we synthesized and characterized, by means of X-ray diffraction, four new naphthaldehyde and anthraldehyde thiosemicarbazone derivatives and their copper complexes to be used in interaction studies with biological systems. The objective was to evaluate the antileukemic activity of these compounds. Reactions of these ligands with Cu(II) salts produced unexpected oxidation products and the isolation of Cu(I) metal complexes. One ligand and its related Cu(I) complex, which is stable in physiological conditions, were subjected to in vitro biological tests (UV-Vis and CD titration). An important interaction with DNA and an affinity toward BSA were observed in FT-IR experiments. Preliminary in vitro biological tests against a histiocytic lymphoma cell line revealed an interestingly low IC50 value, i.e., 5.46 µM, for the Cu(I) complex. Full article
(This article belongs to the Special Issue Feature Papers in Compounds)
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10 pages, 2134 KiB  
Communication
Volatile Organic Compounds in Dactylorhiza Species
by Marisabel Mecca, Rocco Racioppi, Vito Antonio Romano, Licia Viggiani, Richard Lorenz and Maurizio D’Auria
Compounds 2022, 2(2), 121-130; https://0-doi-org.brum.beds.ac.uk/10.3390/compounds2020009 - 12 Apr 2022
Cited by 5 | Viewed by 2042
Abstract
HS-SPME-GC–MS analysis of the scent of Dactylorhiza viridis revealed the presence of verbenone (28.86%), caryophyllene (25.67%), β-terpineol (9.48%), and δ-cadinene (6.94%). In the scent of Dactylorhiza romana β-ocimene (18.69%), pentadecane (18.40%), α-farnesene (14.65%), and isopropyl 14-methylpentadecanoate (14.32%) were found. Dactylorhiza incarnata contained tetradecane [...] Read more.
HS-SPME-GC–MS analysis of the scent of Dactylorhiza viridis revealed the presence of verbenone (28.86%), caryophyllene (25.67%), β-terpineol (9.48%), and δ-cadinene (6.94%). In the scent of Dactylorhiza romana β-ocimene (18.69%), pentadecane (18.40%), α-farnesene (14.65%), and isopropyl 14-methylpentadecanoate (14.32%) were found. Dactylorhiza incarnata contained tetradecane (11.07%), pentadecane (28.40%), hexadecane (19.53%), heptadecane (17.33%), and α-cubenene (11.48%). Analysis of Dactylorhiza saccifera showed the presence of caryophyllene (17.38%), pentadecane (6.43%), hexadecane (6.13%), and heptadecane (5.08%). Finally, the aroma components found in Dactylorhiza sambucina were caryophyllene (12.90%), β-sesquiphellandrene (32.16%), 4,5-di-epi-aristolochene (10.18%). Full article
(This article belongs to the Special Issue Feature Papers in Compounds)
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12 pages, 2925 KiB  
Article
Defect-Induced Luminescence Quenching of 4H-SiC Single Crystal Grown by PVT Method through a Control of Incorporated Impurity Concentration
by Seul-Ki Kim, Eun Young Jung and Myung-Hyun Lee
Compounds 2022, 2(1), 68-79; https://0-doi-org.brum.beds.ac.uk/10.3390/compounds2010006 - 02 Mar 2022
Cited by 5 | Viewed by 4463
Abstract
The structural defect effect of impurities on silicon carbide (SiC) was studied to determine the luminescence properties with temperature-dependent photoluminescence (PL) measurements. Single 4H-SiC crystals were fabricated using three different 3C-SiC starting materials and the physical vapor transport method at a high temperature [...] Read more.
The structural defect effect of impurities on silicon carbide (SiC) was studied to determine the luminescence properties with temperature-dependent photoluminescence (PL) measurements. Single 4H-SiC crystals were fabricated using three different 3C-SiC starting materials and the physical vapor transport method at a high temperature and 100 Pa in an argon atmosphere. The correlation between the impurity levels and the optical and fluorescent properties was confirmed using Raman spectroscopy, X-ray diffraction, inductively coupled plasma atomic emission spectroscopy (ICP-OES), UV-Vis-NIR spectrophotometry, and PL measurements. The PL intensity was observed in all three single 4H-SiC crystals, with the highest intensities at low temperatures. Two prominent PL emission peaks at 420 and 580 nm were observed at temperatures below 50 K. These emission peaks originated from the impurity concentration due to the incorporation of N, Al, and B in the single 4H-SiC crystals and were supported by ICP-OES. The emission peaks at 420 and 580 nm occurred due to donor–acceptor-pair recombination through the incorporated concentrations of nitrogen, boron, and aluminum in the single 4H-SiC crystals. The results of the present work provide evidence based on the low-temperature PL that the mechanism of PL emission in single 4H-SiC crystals is mainly related to the transitions due to defect concentration. Full article
(This article belongs to the Special Issue Feature Papers in Compounds)
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14 pages, 2202 KiB  
Article
Effects of Electrolytes on the Dediazoniation of Aryldiazonium Ions in Acidic MeOH/H2O Mixtures
by Sonia Losada-Barreiro and Carlos Bravo-Díaz
Compounds 2022, 2(1), 54-67; https://0-doi-org.brum.beds.ac.uk/10.3390/compounds2010005 - 15 Feb 2022
Cited by 1 | Viewed by 2261
Abstract
Aryldiazonium, ArN2+, ions decompose spontaneously through the formation of highly reactive aryl cations that undergo preferential solvation by water, showing a low selectivity towards the nucleophiles present in their solvation shell. In this work, we investigate the effects of electrolytes [...] Read more.
Aryldiazonium, ArN2+, ions decompose spontaneously through the formation of highly reactive aryl cations that undergo preferential solvation by water, showing a low selectivity towards the nucleophiles present in their solvation shell. In this work, we investigate the effects of electrolytes (NaCl, LiCl, and LiClO4) on the dediazoniation of 2-, 3-, and 4-methylbenzenediazonium ions in acidic MeOH/H2O mixtures. In the absence of electrolytes, the rates of dediazoniation, kobs, increase modestly upon increasing the MeOH content of the reaction mixture. At any solvent composition, the rate of ArN2+ loss is the same as that for product formation. The main dediazoniation products are cresols (ArOH) and methyl phenyl ethers (ArOMe). Only small amounts (less than 5%) of the reduction product toluene (ArH), which are detected at high percentages of MeOH. Quantitative yields of are obtained at any solvent composition. The addition of LiCl or NaCl ([MCl] = 0–1.5 M) to the reaction mixtures has a negligible effect on kobs but leads to the formation, in low yields (<10%), of the ArCl derivative. The addition of LiClO4 (0–1.5 M) to 20% MeOH/H2O mixtures has a negligible effect on both kobs and on the product distribution. However, at 99.5% MeOH, the addition of the same amounts of LiClO4 leads to a modest decrease in kobs but to a significant decrease in the yields of ArOMe. Results are interpreted in terms of the preferential solvation of perchlorate ions by the aryl cations, removing MeOH molecules from the solvation shell. Full article
(This article belongs to the Special Issue Feature Papers in Compounds)
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17 pages, 2121 KiB  
Article
Spatial and Temporal Variability of the Floral Scent Emitted by Barlia robertiana (Loisel.) Greuter, a Mediterranean Food-Deceptive Orchid
by Vito Antonio Romano, Leonardo Rosati, Simonetta Fascetti, Anna Maria Roberta Cittadini, Rocco Racioppi, Richard Lorenz and Maurizio D’Auria
Compounds 2022, 2(1), 37-53; https://0-doi-org.brum.beds.ac.uk/10.3390/compounds2010004 - 27 Jan 2022
Cited by 8 | Viewed by 2799
Abstract
This study on Barlia robertiana aims to: (1) assess whether scent is variable between populations; (2) evaluate whether scent composition may be related to geographical variables; (3) assess whether there are VOC differences during the flowering phase; and (4) assess whether there are [...] Read more.
This study on Barlia robertiana aims to: (1) assess whether scent is variable between populations; (2) evaluate whether scent composition may be related to geographical variables; (3) assess whether there are VOC differences during the flowering phase; and (4) assess whether there are yearly VOC variabilities. SPME sampling was used. Fourteen plants, collected along an ecological gradient, were analyzed. A multivariate analysis was performed through ordination and hierarchical cluster analysis. Compositions versus geographic distances were also analyzed using Mantel test. Seventy compounds were identified. Multivariate analyses and Mantel tests detected no correlations between VOC composition and both geographic and ecological variables. These results may suggest that there is no adaptation of floral scent to local environments. VOC compositions during the flowering phase showed a slight change but a strong variability between individuals. A huge difference was found in the pairwise comparison of the plants analyzed in different years. The high scent variability can be interpreted as a strategy of a non-rewarding but allogamous species to not allow the learning by pollinators. In fact, disrupting the association among floral scent signals with the lack of nectar may enhance the fruit set via a higher probability of being visited by insects. Full article
(This article belongs to the Special Issue Feature Papers in Compounds)
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12 pages, 934 KiB  
Article
Estimation of Avocado Oil (Persea americana Mill., Greek “Zutano” Variety) Volatile Fraction over Ripening by Classical and Ultrasound Extraction Using HS-SPME–GC–MS
by Marinos Xagoraris, Eleni Galani, Lydia Valasi, Eleftheria H. Kaparakou, Panagiota-Kyriaki Revelou, Petros A. Tarantilis and Christos S. Pappas
Compounds 2022, 2(1), 25-36; https://0-doi-org.brum.beds.ac.uk/10.3390/compounds2010003 - 17 Jan 2022
Cited by 2 | Viewed by 6684
Abstract
The study of flavors and fragrances is a topic of rising interest from both marketing and scientific perspectives. Over the last few years, the cultivation of avocados has accelerated in Greece, with production levels elevated by 300%. There has been increasing attention from [...] Read more.
The study of flavors and fragrances is a topic of rising interest from both marketing and scientific perspectives. Over the last few years, the cultivation of avocados has accelerated in Greece, with production levels elevated by 300%. There has been increasing attention from a number of growers and consumers on avocado oil, the volatiles of which form a key part of consumers’ purchase decisions. A previously unevaluated Zutano cultivar was chosen for this study. Extraction of the pulp oil was performed during three phases of ripening using Soxhlet and ultrasound techniques. Headspace-solid-phase microextraction (HS-SPME) and gas chromatography–mass spectrometry (GC–MS) were utilized in order to analyze the isolated volatile fraction. At least 44 compounds, including mainly terpenoids (61.7%) and non-terpenoid hydrocarbons (35.9%), presented in the Zutano variety, while (1S,6S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene (a-copaene) and (1R,9S,Z)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene (β-caryophyllene) were in higher abundance. The composition of the volatiles was unaffected by the extraction techniques but was influenced by the ripening stage. Thus, during maturation, the volatile fraction fluctuates, with a significantly higher abundance of terpenoids during the fourth day of the ripe stage, whilst it decreases during over-ripening. These findings demonstrate that the Zutano variety can be used to produce an aromatic oil and hence could be used, among others, as an ingredient in cosmetic products. Full article
(This article belongs to the Special Issue Feature Papers in Compounds)
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10 pages, 1310 KiB  
Article
The Scent of Himantoglossum Species Found in Basilicata (Southern Italy)
by Marisabel Mecca, Rocco Racioppi, Vito Antonio Romano, Licia Viggiani, Richard Lorenz and Maurizio D’Auria
Compounds 2021, 1(3), 164-173; https://0-doi-org.brum.beds.ac.uk/10.3390/compounds1030015 - 20 Dec 2021
Cited by 6 | Viewed by 2366
Abstract
The SPME (Solid Phase Microextraction) analysis of the scent of H. hircinum showed the presence of elemicin in the presence of a relevant amount of eugenol. The scent of the sample of H. adriaticum collected in Abruzzo showed the presence 4-amino-5-(4-morpholinylmethyl)-2-oxazolidinone, β-ocimene, decyl [...] Read more.
The SPME (Solid Phase Microextraction) analysis of the scent of H. hircinum showed the presence of elemicin in the presence of a relevant amount of eugenol. The scent of the sample of H. adriaticum collected in Abruzzo showed the presence 4-amino-5-(4-morpholinylmethyl)-2-oxazolidinone, β-ocimene, decyl decanoate, and 9-tricosene as main components. The sample of H. adriaticum collected at Marsico Nuovo has an aroma where the main component was pentadecyl hexanoate, 9-tricosene, methyleugenol, tetradecane, pentadecane, and elemicin. The samples of H. adriaticum collected at Viggianello showed some similarities in the scent: the main components were 9-tricosene and methyleugenol. Full article
(This article belongs to the Special Issue Feature Papers in Compounds)
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11 pages, 1577 KiB  
Article
Volatile Organic Compounds from Orchis Species Found in Basilicata (Southern Italy)
by Marisabel Mecca, Rocco Racioppi, Vito A. Romano, Licia Viggiani, Richard Lorenz and Maurizio D’Auria
Compounds 2021, 1(2), 83-93; https://0-doi-org.brum.beds.ac.uk/10.3390/compounds1020008 - 02 Sep 2021
Cited by 10 | Viewed by 3329
Abstract
This study is part of a project devoted to determining the scent of all the orchid species present in Basilicata. All the analyses were performed by using the solid-phase microextraction technique coupled with gas chromatography-mass spectrometry. The scent of eight species belonging to [...] Read more.
This study is part of a project devoted to determining the scent of all the orchid species present in Basilicata. All the analyses were performed by using the solid-phase microextraction technique coupled with gas chromatography-mass spectrometry. The scent of eight species belonging to the Orchis genus was investigated. In the case of O. anthropophora, caryophyllene, tetradecanal and hexadecanal were the main components of the aroma; in O. purpurea, 3,5-dimethoxytoluene and elemicin were found; in O. italica, caryophyllene and 4-(3-hydroxy-2-methoxyphenyl)butan-2-one were found; in O. pauciflora, linalool and 1,4-dimethoxybenzene were found; in O. mascula, linalool was found; in O. quadripunctata, penta- and heptadecane were found; in O. provincialis, β-farnesene and farnesal were found; and in O. pallens, curcumene was the main product. Full article
(This article belongs to the Special Issue Feature Papers in Compounds)
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17 pages, 15674 KiB  
Article
Convenient Access to Functionalized Non-Symmetrical Atropisomeric 4,4′-Bipyridines
by Emmanuel Aubert, Emmanuel Wenger, Paola Peluso and Victor Mamane
Compounds 2021, 1(2), 58-74; https://0-doi-org.brum.beds.ac.uk/10.3390/compounds1020006 - 01 Jul 2021
Cited by 6 | Viewed by 2956
Abstract
Non-symmetrical chiral 4,4′-bipyridines have recently found interest in organocatalysis and medicinal chemistry. In this regard, the development of efficient methods for their synthesis is highly desirable. Herein, a series of non-symmetrical atropisomeric polyhalogenated 4,4′-bipyridines were prepared and further functionalized by using cross-coupling reactions. [...] Read more.
Non-symmetrical chiral 4,4′-bipyridines have recently found interest in organocatalysis and medicinal chemistry. In this regard, the development of efficient methods for their synthesis is highly desirable. Herein, a series of non-symmetrical atropisomeric polyhalogenated 4,4′-bipyridines were prepared and further functionalized by using cross-coupling reactions. The desymmetrization step is based on the N-oxidation of one of the two pyridine rings of the 4,4′-bipyridine skeleton. The main advantage of this methodology is the possible post-functionalization of the pyridine N-oxide, allowing selective introduction of chlorine, bromine or cyano groups in 2- and 2′-postions of the chiral atropisomeric 4,4′-bipyridines. The crystal packing in the solid state of some newly prepared derivatives was analyzed and revealed the importance of halogen bonds in intermolecular interactions. Full article
(This article belongs to the Special Issue Feature Papers in Compounds)
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Review

Jump to: Editorial, Research

15 pages, 3241 KiB  
Review
Waste-Glycerol as a Precursor for Carbon Materials: An Overview
by Mary Batista, Silvia Carvalho, Renato Carvalho, Moisés L. Pinto and João Pires
Compounds 2022, 2(3), 222-236; https://0-doi-org.brum.beds.ac.uk/10.3390/compounds2030018 - 16 Sep 2022
Cited by 4 | Viewed by 1909
Abstract
Biodiesel is produced by the transesterification of animal fats and vegetable oils, producing a large amount of glycerol as a by-product. The crude glycerol cannot be used in the food or pharmaceutical industries. It is crucial to transform glycerol into value-added products with [...] Read more.
Biodiesel is produced by the transesterification of animal fats and vegetable oils, producing a large amount of glycerol as a by-product. The crude glycerol cannot be used in the food or pharmaceutical industries. It is crucial to transform glycerol into value-added products with applications in different areas to biodiesel be economically viable. One of the possible applications is its use as a precursor for the synthesis of carbon materials. The glycerol-based carbon materials have distinct properties due to the presence of sulfonic acid groups on the material surface, making them efficient catalysts. Additionally, the glycerol-based activated carbon materials show promising results concerning the adsorption of gases and liquid pollutants and recently as capacitors. Despite their potential, currently, little research has been carried out on the synthesis and application of those materials. This review summarized the preparation and application of carbon materials from glycerol, intending to show the potential of these materials. Full article
(This article belongs to the Special Issue Feature Papers in Compounds)
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31 pages, 7242 KiB  
Review
The Nitrogen Bond, or the Nitrogen-Centered Pnictogen Bond: The Covalently Bound Nitrogen Atom in Molecular Entities and Crystals as a Pnictogen Bond Donor
by Pradeep R. Varadwaj, Arpita Varadwaj, Helder M. Marques and Koichi Yamashita
Compounds 2022, 2(1), 80-110; https://0-doi-org.brum.beds.ac.uk/10.3390/compounds2010007 - 15 Mar 2022
Cited by 20 | Viewed by 4934
Abstract
The nitrogen bond in chemical systems occurs when there is evidence of a net attractive interaction between the electrophilic region associated with a covalently or coordinately bound nitrogen atom in a molecular entity and a nucleophile in another, or the same molecular entity. [...] Read more.
The nitrogen bond in chemical systems occurs when there is evidence of a net attractive interaction between the electrophilic region associated with a covalently or coordinately bound nitrogen atom in a molecular entity and a nucleophile in another, or the same molecular entity. It is the first member of the family of pnictogen bonds formed by the first atom of the pnictogen family, Group 15, of the periodic table, and is an inter- or intra-molecular non-covalent interaction. In this featured review, we present several illustrative crystal structures deposited in the Cambridge Structure Database (CSD) and the Inorganic Crystal Structure Databases (ICSD) to demonstrate that imide nitrogen is not the only instance where nitrogen can act as an electrophilic agent. Analysis of a set of carefully chosen illustrative crystal systems shows that a covalently bound nitrogen atom in a variety of molecular entities features a σ-hole or even a π-hole, and these have the ability to sustain attractive engagements with negative sites to form inter- and/or intramolecular interactions that drive, or assist, the formation of a crystalline phase. Full article
(This article belongs to the Special Issue Feature Papers in Compounds)
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22 pages, 9483 KiB  
Review
Electrophilic Iodination of Organic Compounds Using Elemental Iodine or Iodides: Recent Advances 2008–2021: Part I
by Njomza Ajvazi and Stojan Stavber
Compounds 2022, 2(1), 3-24; https://0-doi-org.brum.beds.ac.uk/10.3390/compounds2010002 - 05 Jan 2022
Cited by 10 | Viewed by 9082
Abstract
The iodination of organic compounds is of great importance in synthetic organic chemistry. It opens comprehensive approaches for the synthesis of various biologically active compounds. The recent advances in iodination of organic compounds using elemental iodine or iodides, covering the last thirteen years, [...] Read more.
The iodination of organic compounds is of great importance in synthetic organic chemistry. It opens comprehensive approaches for the synthesis of various biologically active compounds. The recent advances in iodination of organic compounds using elemental iodine or iodides, covering the last thirteen years, are the objective of the present review. Full article
(This article belongs to the Special Issue Feature Papers in Compounds)
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11 pages, 216 KiB  
Review
Modern Software for Computer Modeling in Quantum Chemistry and Molecular Dynamics
by Marina V. Malyshkina and Alexander S. Novikov
Compounds 2021, 1(3), 134-144; https://0-doi-org.brum.beds.ac.uk/10.3390/compounds1030012 - 16 Nov 2021
Cited by 6 | Viewed by 5634
Abstract
The most popular modern programs for quantum chemical and molecular dynamics (classical, ab initio, and QM/MM) calculations, which are relevant for the investigation of nature and various properties of different molecules and periodic chemical systems such as nanotubes, surfaces and films, polymers, and [...] Read more.
The most popular modern programs for quantum chemical and molecular dynamics (classical, ab initio, and QM/MM) calculations, which are relevant for the investigation of nature and various properties of different molecules and periodic chemical systems such as nanotubes, surfaces and films, polymers, and crystalline solids, are highlighted and briefly discussed. Full article
(This article belongs to the Special Issue Feature Papers in Compounds)
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