Chemistry, Volume 3, Issue 3

Hexamethoxycalix[6]arene 3 forms a directional pseudorotaxane complex with the chiral axle (S)-(α-methyl-benzyl)benzylammonium 2⁺. Between the two (endo-chiral)-2⁺@3 and (exo-chiral)-2⁺@3 pseudorotaxane stereoisomers, the former is preferentially for...

PPO co-crystalline (CC) films including azobenzene guest molecules have been prepared and characterized by WAXD, FTIR and UV-Visible measurements. Isomerization reactions of azobenzene (photo-induced trans to cis and spontaneous cis to trans) include...

Magnetically induced current densities, calculated at the M06-2X/def2-TZVP level using the diamagnetic-zero version of the continuous transformation of origin of current density (CTOCD-DZ) method, were employed to study the aromaticity in ${\mathrm{Li}}_3{\mathrm{B}}_2{}^{-}$ and...

The bottom-up synthesis and preliminary characterizations of a new biphenylene-based 2D framework are presented. This new low-dimensional carbon allotrope potentially completes the many hypothesized carbon networks based on biphenylene.

The dopamine D₂ agonist MCL-524 is selective for the D₂ receptor in the high-affinity state (D₂^high), and, therefore, the PET analogue, [¹⁸F]MCL-524, may facilitate the elucidation of the role of D₂^high in disorders such as schizophrenia. However, th...

The podand-type ligand L, based on a tertiary amine substituted by three pyridyl-6-phosphonic acid functions, forms hydrated complexes with Ln³⁺ cations. The luminescence properties of the YbL complex were studied in D₂O as a function of the pD and t...

A recently developed methodology for calculating, analyzing, and visualizing nuclear magnetic shielding densities is used for studying spatial contributions including ring-current contributions to ${}^1$H nuclear magnetic resonance (NMR) chemical shifts o...

It is shown that the electric dipole- and electric quadrupole–anapole polarizabilities, denoted respectively by $f_{\alpha \beta }^{\prime }$ and $g_{\alpha ,\beta \gamma }^{\prime }$, and the anapole magnetizability $a_{\alpha \beta }$, are intrinsic properties of the electron cloud of molecules responding to optical fi...

This is the first report to identify the presence of 3-O-caffeoyl quinic acid (1), 4-O-caffeoyl quinic acid (2), 5-O-caffeoyl quinic acid (3), epi-catechin (4), and procyanidin B2 (5) in the young propagules of Rhizophora mucronata. Compounds 2–5 wer...

The ascertainment of magnetic aromaticity is not necessarily straightforward, especially for large and bent systems, such as the cycloporphyrin nanorings recently synthesized by the group of Anderson. Six of these cycloporphyrin nanorings were studie...

We have structure, a wealth of kinetic data, thousands of chemical ligands and clinical information for the effects of a range of drugs on monoamine oxidase activity in vivo. We have comparative information from various species and mutations on kinet...

Carbohydrate-based low-molecular-weight gelators (LMWGs) are useful classes of compounds due to their numerous applications. Among sugar-based LMWGs, certain peracetylated sugar beta-triazole derivatives were found to be effective organogelators and...

Stagnation graphs provide a useful tool to analyze the main topological features of the often complicated vector field associated with magnetically induced currents. Previously, these graphs have been constructed using response quantities appropriate...

In the present study, two commercial typologies of microfibrillated cellulose (MFC) (Exilva and Celish) with 2% wt % were firstly melt-compounded at the laboratory scale into polylactic acid (PLA) by a microcompounder. To reach an MFC proper dispersi...

The textile sector is closely linked to environmental pollution as a result of the use of toxic chemicals and their disposal in liquid waste, which negatively affects for the environment. Moreover, textile industries, especially wet processing, consu...

As the most studied two-dimensional material, graphene is still attracting a lot of attention from both academia and industry due to its fantastic properties such as lightness, excellent mechanical strength, and high conductivity of heat and electric...

An antiplasmodial activity-guided isolation was carried out on the dichloromethane extract of Tithonia diversifolia dried leaves. A total of five germacranolide type sesquiterpene lactones and a new flavonol, 3,6-dihydroxy-2-(4′-hydroxyphenyl)-7-meth...

Bonding and aromaticity in the bowl-shaped C_5v and planar D_5h geometries of corannulene and the planar D_6h geometry of coronene are investigated using 3D isosurfaces and 2D contour plots of the isotropic magnetic shielding σ_iso(r) and, for planar geo...

The intramolecular ionic Diels–Alder (IIDA) reactions of two dieniminiums were studied within the Molecular Electron Density Theory (MEDT) at the ωB97XD/6-311G(d,p) computational level. Topological analysis of the electron localization function (ELF)...

Natural flavor and fragrance market size is expected to grow steadily due to the rising consumer demand of natural ingredients. This market request is guided by the general opinion that the production of natural compounds leads to a reduction of poll...

This themed issue of Chemistry is in honor of Professor Christoph Janiak on the occasion of his 60th birthday, and celebrates his innovative contributions to the fields of supramolecular chemistry, coordination polymers, networks and metal-organic fr...

This Special Issue of Chemistry is dedicated to Dr. Howard D. Flack (1943–2017), a renowned crystallographer who transformed the way in which, by using single crystal X-ray diffraction, we are able to determine the absolute structure of a crystalline...

Carbon monoxide (CO) has long been known for its toxicity. However, in recent decades, new applications for CO as a therapeutic compound have been proposed, and multiple forms of CO therapy have since been developed and studied. Previous research has...

A new magnetic supported manganese-based coordination complex (Fe₃O₄@SiO₂@CPTMS@MBOL@ Mn) was prepared in consecutive stages and characterized via various techniques (VSM, SEM, TEM, XRD, FT-IR, EDX, TG-DTA, and ICP). To evaluate its application, it w...

It is well known that singlet state aromaticity is quite insensitive to substituent effects, in the case of monosubstitution. In this work, we use density functional theory (DFT) calculations to examine the sensitivity of triplet state aromaticity to...

In this work, we explored how solvents can affect olefin oxidation reactions catalyzed by MCM-bpy-Mo catalysts and whether their control can be made with those players. The results of this study demonstrated that polar and apolar aprotic solvents mod...

The incorporation of singlet fission (SF) chromophores in solar cells is expected to bring significant increases in the power conversion efficiency thanks to multiexciton generation. However, efficient charge generation in the device is determined by...

Rifamycins are an extremely important class of antibacterial agents whose action results from the inhibition of DNA-dependent RNA synthesis. A special arrangement of unsubstituted hydroxy groups at C21 and C23, with oxygen atoms at C1 and C8 is essen...

Donor-acceptor Stenhouse adducts (DASAs) are a photo-switch class that undergoes triene cyclisation in response to visible light. Herein, electrochemical oxidation is demonstrated as an effective alternative stimulus for the triene cyclisation common...

In the last few years, imidazo[1,5-a]pyridine scaffolds and derivatives have attracted growing attention due to their unique chemical structure and optical behaviors. In this work, a series of pyridylimidazo[1,5-a]pyridine derivatives and their corre...

The N-alkylation reaction of N-benzoyl 5-(aminomethyl)tetrazole (5-AMT) with benzyl bromide was carried out in the presence of K₂CO₃ as a base. Two separable regioisomers were obtained, thus their purification led to determine the proportion of each...

The utilization of carbon dioxide is a major incentive for the growing field of carbon capture. Carbon dioxide could be an abundant building block to generate higher-value chemical products. Herein, we fabricated a porous copper electrode capable of...