Chemistry, Volume 7, Issue 2

Foam quality is an important index for judging the quality of beer. In this experiment, the interaction between PZ and iso-α-acid extracted from hops and its effect on beer foam production were investigated. According to the results of fluoresc...

Near-UV circular dichroism (CD) spectroscopy is a widely used method that provides, among others, information about the tertiary structure of biomolecular systems such as proteins, RNA, or DNA. Experimental near-UV CD spectra of proteins reflect the...

To ensure high-quality honey, and to delay crystallization or fermentation, honey is subjected to heat treatment. The heating process, as well as the duration and storage conditions, can lead to an increased level of 5-HMF (5-hydroxymethylfurfural),...

Cyclacenes with the general formula C_4nH_2n are cyclic analogs of acenes. Acenes are well-known for their high reactivity, which increases with the number of fused benzene rings. The cyclic strain, absence of a Clar sextet, and diradical or polyradica...

Biomaterials and biomembranes play a crucial role in a variety of applications, particularly in the medical field due to their ability to mimic natural biological structures and functions. Crosslinkers play also an important role in enhancing the str...

A plasma-assisted electrochemical deposition (PAECD) technology was introduced to coat a cast iron brake disc for the possible reduction of brake wear and brake wear particle (BWP) emission. The majority of the coating consisted of alumina (Al₂O₃), d...

Proline is considered the model organocatalytic amino acid. However, other naturally occurring amino acids remain a potent and perhaps overlooked source of organocatalytic potential. In this work, we investigated the capacity of various natural amino...

This study presents a comprehensive analysis of the chemical composition and bioactive properties of six newly cultivated varieties of pigmented and non-pigmented rice: Neunkeunheukchal (NKH), Neunkeunssal, Heukjagwang 709 (H709), Heukjagwang 1601, H...

The complexation behavior of lanthanide(III) ions with terephthalic acid (1,4-benzene-dicarboxylic acid) in 0.01 M KNO₃ aqueous solutions was studied across a broad pH range and at two metal-to-ligand ratios using potentiometric titration combined wi...

The electronic and phonon bands of Skaergaardite are investigated using density functional theory (DFT) as implemented in Quantum ESPRESSO. Skaergaardite is a copper palladium mineral (CuPd) found in the Skaergaard intrusion with a CsCl-type (B2) str...

Carbon-based materials have garnered significant attention for electrocatalysis applications in fuel cells due to their unique structural and electronic properties, but rapid oxygen reduction reaction (ORR) at the cathode of fuel cells is challenging...

Microbiologically influenced corrosion (MIC) is one of the key causes of material failure in marine engineering, and sulfate-reducing bacteria (SRB) and iron-oxidizing bacteria (IOB) are typical representatives of anaerobic and aerobic microorganisms...

The present work represented results from a comprehensive study of free radicals and the antioxidant properties of irradiated walnuts. The effects of gamma irradiation on free radical generation and their stability, as well as on the antioxidant acti...

As examples of “Click Chemistry”, the reaction of 1-(oxiran-2-ylmethyl)piperidine with several 1,2,4-triazoles derivatives was studied. As a result, the reaction shows that the oxirane ring opens regiospecifically, according to Krasusky&r...

Multiple reduced π-conjugated hydrocarbons exhibit π-electron conjugation modes different from neutral species due to the distinct number of electrons. Herein, we report the generation of a 32 π-electron tetraanion of a derivative of a doubl...

Benzimidazolinones exhibit unique biological activities and serve as building blocks in synthesizing pharmaceutical compounds. Although multiple synthetic approaches involving intermolecular cyclization reactions have been reported, intramolecular cy...

Crystalline lanthanide terephthalates, Ln₂bdc₃‧nH₂O (Ln = La–Lu, excluding Pm), were synthesized using a surfactant-free, ultrasound-assisted method. This approach yielded microcrystals with diverse shapes and sizes ranging from 2 to 10 &...

Considering the importance of organic functionalization of MOFs, we here report a simple, tunable and efficient one-step post-modification procedure for introducing amino and carboxylic groups into the mesoporous metal–organic framework Al- and...

In this work, we have considered the family of indenofluorene (IF) and its longitudinally elongated variants fluorenofluorene and diindenoanthracene and investigated their low-lying excited states and optical properties via quantum-chemical studies a...

In this work, we present fully $\pi$-conjugated diradical(oid)s and tetraradical(oid)s with five-membered non-alternant cyclopentadienyl and quasi-alternant thiophene rings, the latter of which is used as a source of aromatic stabilization. By control...

This study introduces a fragmentation-based linear-scaling method for strongly correlated systems, specifically the divide-and-conquer Hartree–Fock–Bogoliubov (DC-HFB) approach. Two energy gradient formulations of the DC-HFB method are de...

We investigated the geometry and electronic structure of the oxygen-bridged dicopper complex [Cu^II₂(NH₃)₄O₂]²⁺ and discussed how different DFT methods and basis sets, including dispersion corrections and dielectric media, affect the predicted structu...

3,3-Dialkoxy-2-oxindoles are prevalent in natural products and exhibit unique biological activities. Among them, acyclic alkoxy analogues show instability in acidic conditions, making access to acyclic isatin ketals highly challenging. Conventional m...

We hereby report a simple and efficient method for the preparation of (E)-3-aryl-2-styryl-2,3-dihydroquinazolin-4-(1H)-ones, from isatoic anhydride, anilines, and cinnamaldehydes in the presence of 20 mol% citric acid in methanol at 60 °C for 2 h...

Metal complexes have potential applications in drug discovery due to their unique properties. For example, zinc(II) ions (Zn^II) exhibit a high affinity for DNA and have been used as active centers in artificial protein/small-molecule metallonucleases...

Diradicals have attracted the attention of chemists due to their unique electronic structures and properties originating from unpaired electrons. One of the fundamental motifs of diradicals is quinodimethane; p- and o-quinodimethanes are singlet Keku...

Triangulene, also known as Clar’s hydrocarbon, has been sought after by chemists for more than 70 years but with limited success. Herein, we report an oxidative dehydrogenation method to synthesize two kinetically blocked [3]triangulene derivat...

The structure, bonding, and properties of diradicals, triradicals, and polyradicals have been investigated using broken symmetry (BS) molecular orbital (MO) and BS density functional theory (DFT) methods, which are regarded as the first steps in the...

A stable π-expanded o-quinodimethane derivative (2) was synthesized by photochemical dearomative cycloaddition of corannulene with an isolable dialkylsilylene (1) and isolated as a dark blue solid. Compound 2 adopts a very flat bowl shape in contr...

A novel series of oleanolic acid (OA, 1) derivatives incorporating phenolic and coumarin moieties were synthesized. This acid was extracted from olive pomace (Olea europaea L.) using an ultrasound-assisted method. The structures of these novel deriva...

This study presents analytical models for simulating the thermal properties of linear triatomic systems, using the modified Rosen–Morse oscillator and harmonic oscillator potential to represent vibrational modes. The models employ existing part...

In 2022, the number of mpox cases spiked worldwide, leading to a surge in scientific research on members of the Orthopoxvirus genus and the discovery of new compounds exhibiting anti-orthopoxvirus activity. This work is devoted to the synthesis of co...

The use of rhenium-based catalysts (Re₂C, Re₃B, ReB₂, and ReS₂) obtained by mechanosynthesis in the pyrolysis of cellulose and lignin from 500 to 800 °C using 10 and 20 wt.% of catalysts is reported. The mechanosynthesis of ReS₂ has been reported...

We discovered that the radical cation salt [1^•+][NTf₂⁻], composed of tetrakis(ethylthio)tetrathiafulvalene radical cation and bis(N-trifluoromethanesulfonyl)imide ion, exhibits significant changes in its magnetic properties during a solid&...

Background: This study investigates the synthesis and pharmacological potential of N-substituted isoindoline-1,3-dione (phthalimide) derivatives. Using the M06 meta-GGA hybrid functional with a polarized 6-311G(d,p) basis set, computational evaluatio...

Being overexpressed in many cancer types and related to tumor invasiveness, the activity of P5C reductase represents a promising target for cancer therapy, yet no effective inhibitors have been identified so far. Several phenyl-substituted aminomethy...

Microreactor technology is seen as a promising approach to achieve green and sustainable synthesis in chemical fields because of the significant process intensification and fine control over reaction parameters caused by the miniaturization of reacto...

The synthesis of two polycyclic aromatic hydrocarbon (PAH) monoradicals, terbenzoolympicenyl radical (BOR1) and tetrabenzoolympicenyl radical (BOR2), is reported. One-electron oxidation of both BOR1 and BOR2 yielded stable cationic species BOR1+ and...