Molecules, Vol. 29, Pages 1886: Control of Optical Reflection in Ca2MgWO6 by Co and Mo Doping
i Masui To develop novel inorganic red pigments without harmful elements, we focused on the band structure of Ca2(Mg, Co)WO6 and attempted to narrow its bandgap by replacing the W6+ sites in the host structure of Mo6+. Ca2Mg1−xCoxW1−yMoyO6 (0.10 ≤ x ≤ 0.30; 0.45 ≤ y ≤ 0.60) samples were synthesized by a sol-gel method using citric acids, and the crystal structure, optical properties, and color of the samples were characterized. The Ca2Mg1−xCoxW1−yMoyO6 solid solution was successfully formed, which absorbed visible light ...
Source: Molecules - April 21, 2024 Category: Chemistry Authors: Kazuki Yamaguchi Kohei Minagawa Ryohei Oka Toshiyuki Masui Tags: Article Source Type: research

Molecules, Vol. 29, Pages 1879: Chlorination of Aromatic Amino Acids: Elucidating Disinfection Byproducts, Reaction Kinetics, and Influence Factors
Wang Haiying Yu In the face of ongoing water pollution challenges, the intricate interplay between dissolved organic matter and disinfectants like chlorine gives rise to potentially harmful disinfection byproducts (DBPs) during water treatment. The exploration of DBP formation originating from amino acids (AA) is a critical focus of global research. Aromatic DBPs, in particular, have garnered considerable attention due to their markedly higher toxicity compared to their aliphatic counterparts. This work seeks to advance the understanding of DBP formation by investigating chlorination disinfection and kinetics using t...
Source: Molecules - April 20, 2024 Category: Chemistry Authors: Zhenyi Chen Bangyu Chen Hui Shen Xunlin Li Chen Zhou Guangcai Ma Xiaoxuan Wei Xueyu Wang Haiying Yu Tags: Article Source Type: research

Molecules, Vol. 29, Pages 1880: Structural and Rheological Characterization of Vegetable Crispbread Enriched with Legume Pur & eacute;e
Molecules, Vol. 29, Pages 1880: Structural and Rheological Characterization of Vegetable Crispbread Enriched with Legume Purée Molecules doi: 10.3390/molecules29081880 Authors: Karolina Szulc Sabina Galus Crispbread is gaining popularity as a healthy snack or bread substitute. This is a lightweight dry type of flat food that stays fresh for a very long time due to its lack of water and usually contains different types of grain flour, including gluten-containing wheat or rye flour. The incorporation of legume purée into crispbread represents an innovative approach to enhancing the nutriti...
Source: Molecules - April 20, 2024 Category: Chemistry Authors: Karolina Szulc Sabina Galus Tags: Article Source Type: research

Molecules, Vol. 29, Pages 1882: Application of Fourier-Transform Infrared Spectroscopy for the Assessment of Wine Spoilage Indicators: A Feasibility Study
Lopes Wine aroma is one of the most frequently used and explored quality indicators. Typically, its assessment involves estimating the volatile composition of wine or highly trained assessors conducting sensory analysis. However, current methodologies rely on slow, expensive and complicated analytical procedures. Additionally, sensory evaluation is inherently subjective in nature. Therefore, the aim of this work is to verify the feasibility of using FTIR spectroscopy as a fast and easy methodology for the early detection of some of the most common off-odors in wines. FTIR spectroscopy was combined with partial least s...
Source: Molecules - April 20, 2024 Category: Chemistry Authors: Cl áudia Andreia Teixeira dos Santos Ricardo Nuno Mendes Jorge P áscoa Nuria P érez-del-Notario Jos é Maria González-Sáiz Consuelo Pizarro Jo ão Almeida Lopes Tags: Article Source Type: research

Molecules, Vol. 29, Pages 1883: Increasing Analytical Quality by Designing a Thin-Layer Chromatography Scanner Method for the Determination of the Radiochemical Purity of Radiopharmaceutical Sodium Iodide 131I Oral Solution
This study encompassed the establishment of a control strategy and the validation of the method, including the assessment of selectivity, linearity, precision, robustness, detection limit, quantification limit, range, and the stability of the sample solution. Under the experimental conditions, the method parameters of the TLC scanner were experimentally demonstrated and optimized with an injection volume of 3 µL, a radioactive concentration of 10 mCi/mL, and a carrier volume of 40 µL. Statistical analysis confirmed the method’s selectivity for the 131I iodide band Rf of 0.8, a radi...
Source: Molecules - April 20, 2024 Category: Chemistry Authors: Miguel Vasquez-Huaman Am érico Castro-Luna Norma Julia Ramos-Cevallos Donald Ramos-Perfecto Mario Alcarraz-Curi Jacqueline Segura-Vasquez Danny C áceres-Antaurco Tags: Article Source Type: research

Molecules, Vol. 29, Pages 1881: CB1 Receptor Negative Allosteric Modulators as a Potential Tool to Reverse Cannabinoid Toxicity
ackie Alex Straiker While the opioid crisis has justifiably occupied news headlines, emergency rooms are seeing many thousands of visits for another cause: cannabinoid toxicity. This is partly due to the spread of cheap and extremely potent synthetic cannabinoids that can cause serious neurological and cardiovascular complications—and deaths—every year. While an opioid overdose can be reversed by naloxone, there is no analogous treatment for cannabis toxicity. Without an antidote, doctors rely on sedatives, with their own risks, or ‘waiting it out’ to treat thes...
Source: Molecules - April 20, 2024 Category: Chemistry Authors: Audrey Flavin Paniz Azizi Natalia Murataeva Kyle Yust Wenwen Du Ruth Ross Iain Greig Thuy Nguyen Yanan Zhang Ken Mackie Alex Straiker Tags: Article Source Type: research

Molecules, Vol. 29, Pages 1884: Novel Biopolymer-Based Catalyst for the Multicomponent Synthesis of N-aryl-4-aryl-Substituted Dihydropyridines Derived from Simple and Complex Anilines
In this study, we successfully managed to synthesize a wide range of DHPs (18 examples, 8 of which were novel) using a metal-free, mild, inexpensive, recoverable, and biopolymer-based heterogeneous catalyst, known as piperazine, which was supported in agar–agar gel. In addition, 8 further examples (3 novel) of such dihydropyridines were synthesized using isatin instead of aldehyde as a reactant, producing spiro-linked structures. Lastly, this catalyst managed to afford an unprecedented product that was derived using an innovative technique—a combination of multicomponent reactions. Essentially, ...
Source: Molecules - April 20, 2024 Category: Chemistry Authors: Giovanna Bosica Roderick Abdilla Tags: Article Source Type: research

Molecules, Vol. 29, Pages 1885: Design of Na3MnZr(PO4)3/Carbon Nanofiber Free-Standing Cathodes for Sodium-Ion Batteries with Enhanced Electrochemical Performances through Different Electrospinning Approaches
In this study, an easy and scalable electrospinning approach was used to synthesize self-standing cathodes based on Na3MnZr(PO4)3 loaded into carbon nanofibers (CNFs). Different strategies were applied to load the active material. All the employed characterization techniques (X-ray powder diffraction (XRPD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy-dispersive X-ray spectroscopy (EDS), thermal gravimetric analysis (TGA), and Raman spectroscopy) confirmed the successful loading. Compared to an appositely prepared tape-cast electrode, Na3MnZr(PO4)3/CNF self-standing cathodes demonstra...
Source: Molecules - April 20, 2024 Category: Chemistry Authors: Debora Maria Conti Claudia Urru Giovanna Bruni Pietro Galinetto Benedetta Albini Chiara Milanese Silvia Pisani Vittorio Berbenni Doretta Capsoni Tags: Article Source Type: research

Molecules, Vol. 29, Pages 1878: Cell-Free Synthesis: Expediting Biomanufacturing of Chemical and Biological Molecules
Kim The increasing demand for sustainable alternatives underscores the critical need for a shift away from traditional hydrocarbon-dependent processes. In this landscape, biomanufacturing emerges as a compelling solution, offering a pathway to produce essential chemical materials with significantly reduced environmental impacts. By utilizing engineered microorganisms and biomass as raw materials, biomanufacturing seeks to achieve a carbon-neutral footprint, effectively counteracting the carbon dioxide emissions associated with fossil fuel use. The efficiency and specificity of biocatalysts further contribute to lowerin...
Source: Molecules - April 20, 2024 Category: Chemistry Authors: So-Jeong Lee Dong-Myung Kim Tags: Review Source Type: research

Molecules, Vol. 29, Pages 1871: Dry Reforming of Methane over Pyrochlore-Type La2Ce2O7-Supported Ni Catalyst: Effect of Particle Size of Support
Zhang Han The properties of supports (such as oxygen vacancies, oxygen species properties, etc.) significantly impact the anti-carbon ability due to their promotional effect on the activation of CO2 in dry reforming of methane (DRM). Herein, pyrochlore-type La2Ce2O7 compounds prepared using co-precipitation (CP), glycine nitrate combustion (GNC) and sol–gel (S-G) methods, which have highly thermal stability and unique oxygen mobility, are applied as supports to prepare Ni-based catalysts for DRM. The effect of the calcining temperature (500, 600 and 700 °C) on La2Ce2O7(CP) has also been i...
Source: Molecules - April 19, 2024 Category: Chemistry Authors: Zhou Li Zhang Gao Wang Zhang Han Tags: Article Source Type: research

Molecules, Vol. 29, Pages 1873: A Comprehensive Review of In Situ Measurement Techniques for Evaluating the Electro-Chemo-Mechanical Behaviors of Battery Electrodes
iu Dawei Li The global production landscape exhibits a substantial need for efficient and clean energy. Enhancing and advancing energy storage systems are a crucial avenue to optimize energy utilization and mitigate costs. Lithium batteries are the most effective and impressive energy utilization system at present, with good safety, high energy density, excellent cycle performance, and other advantages, occupying most of the market. However, due to the defects in the electrode material of the battery itself, the electrode will undergo the process of expansion, stress evolution, and electrode damage during electro-che...
Source: Molecules - April 19, 2024 Category: Chemistry Authors: Hainan Jiang Jie Chen Xiaolin Li Zhiyao Jin Tianjun Chen Jiahui Liu Dawei Li Tags: Review Source Type: research

Molecules, Vol. 29, Pages 1872: Analysis of Volatile Aroma Components in Different Parts of Shiitake Mushroom (Lentinus edodes) Treated with Ultraviolet C Light-Emitting Diodes Based on Gas Chromatography & ndash;Ion Mobility Spectroscopy
In this study, a comparison of UVC-LED irradiation treatment on the flavor profiles in various parts of shiitake mushrooms was conducted using gas chromatography–ion mobility spectrometry (GC-IMS) and sensory analysis. Sixty-three volatile compounds were identified in shiitake mushrooms. The fresh shiitake mushrooms were characterized by the highest values of raw mushroom odors. After UVC-LED treatment, the content of C8 alcohols decreased, especially that of 1-octen-3-ol, while the content of aldehydes increased, especially the content of nonanal and decanal. The score of fatty and green odors was enhanced. ...
Source: Molecules - April 19, 2024 Category: Chemistry Authors: Daihua Hu Yulin Wang Fanshu Kong Danni Wang Chingyuan Hu Xu Yang Xiaohua Chen Wang Chen Zili Feng Tags: Article Source Type: research

Molecules, Vol. 29, Pages 1874: Synthesis of & omega;-Chloroalkyl Aryl Ketones via C & ndash;C Bond Cleavage of tert-Cycloalkanols with Tetramethylammonium Hypochlorite
Molecules, Vol. 29, Pages 1874: Synthesis of ω-Chloroalkyl Aryl Ketones via C–C Bond Cleavage of tert-Cycloalkanols with Tetramethylammonium Hypochlorite Molecules doi: 10.3390/molecules29081874 Authors: Natsumi Hanazawa Masami Kuriyama Kosuke Yamamoto Osamu Onomura An oxidative C–C bond cleavage of tert-cycloalkanols with tetramethylammonium hypochlorite (TMAOCl) has been developed. TMAOCl is easy to prepare from tetramethylammonium hydroxide, and the combination of TMAOCl and AcOH effectively promoted the C–C bond cleavage in a two-phase system without additio...
Source: Molecules - April 19, 2024 Category: Chemistry Authors: Natsumi Hanazawa Masami Kuriyama Kosuke Yamamoto Osamu Onomura Tags: Article Source Type: research

Molecules, Vol. 29, Pages 1875: The Recognition Pathway of the SARS-CoV-2 Spike Receptor-Binding Domain to Human Angiotensin-Converting Enzyme 2
ongmei Li COVID-19 caused by SARS-CoV-2 has spread around the world. The receptor-binding domain (RBD) of the spike protein of SARS-CoV-2 is a critical component that directly interacts with host ACE2. Here, we simulate the ACE2 recognition processes of RBD of the WT, Delta, and OmicronBA.2 variants using our recently developed supervised Gaussian accelerated molecular dynamics (Su-GaMD) approach. We show that RBD recognizes ACE2 through three contact regions (regions I, II, and III), which aligns well with the anchor–locker mechanism. The higher binding free energy in State d of the RBDOmicronBA.2-ACE2 s...
Source: Molecules - April 19, 2024 Category: Chemistry Authors: Can Peng Xinyue Lv Zhiqiang Zhang Jianping Lin Dongmei Li Tags: Article Source Type: research

Molecules, Vol. 29, Pages 1876: Promising Antileishmanial Activity of Micromeria nervosa Essential Oil: In Vitro and In Silico Studies
bbene Ferid Limam The present study aimed to evaluate the leishmanicidal potential of the essential oil (EO) of Micromeria (M.) nervosa and to investigate its molecular mechanism of action by qPCR. Furthermore, in silicointeraction study of the major M. nervosa EO compounds with the enzyme cytochrome P450 sterol 14α-demethylase (CYP51) was also performed. M. nervosa EO was analyzed by gas chromatography-mass spectrometry (GC-MS). Results showed that α-pinene (26.44%), t-cadinol (26.27%), caryophyllene Oxide (7.73 ± 1.04%), and α-Cadinene (3.79 ± ...
Source: Molecules - April 19, 2024 Category: Chemistry Authors: Rym Essid Sarra Kefi Bilel Damergi Ghassen Abid Nadia Fares Selim Jallouli Islem Abid Dina Hussein Olfa Tabbene Ferid Limam Tags: Article Source Type: research