Molecules, Vol. 26, Pages 4546: Induced Nematic Phase of New Synthesized Laterally Fluorinated Azo/Ester Derivatives
a Z. Omar A new series of laterally fluorinated mesomorphic compounds, namely 2-fluoro-4-((4-(alkyloxy)phenyl)diazenyl)phenyl 4-substitutedbenzoate (Inx) were prepared and evaluated for their mesophase behavior. The synthesized series constitutes five members that possess different terminally attached polar groups (X). Their molecular structures were confirmed by elemental analyses and both FT-IR and NMR spectroscopy. Examination of the prepared derivatives was conducted via experimental and theoretical tools. Mesomorphic investigations were carried by polarized optical microscopy (POM) and differential scanning calori...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Fowzia S. Alamro Hoda A. Ahmed Mohamed A. El-Atawy Salma A. Al-Zahrani Alaa Z. Omar Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4548: Macrocyclic Tetramers —Structural Investigation of Peptide-Peptoid Hybrids
Molecules, Vol. 26, Pages 4548: Macrocyclic Tetramers—Structural Investigation of Peptide-Peptoid Hybrids Molecules doi: 10.3390/molecules26154548 Authors: Claudine Nicole Herlan Anna Sonnefeld Thomas Gloge Julian Brückel Luisa Chiara Schlee Claudia Muhle-Goll Martin Nieger Stefan Bräse Outstanding affinity and specificity are the main characteristics of peptides, rendering them interesting compounds for basic and medicinal research. However, their biological applicability is limited due to fast proteolytic degradation. The use of mimetic peptoids overcomes this disadvantage, though th...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Claudine Nicole Herlan Anna Sonnefeld Thomas Gloge Julian Br ückel Luisa Chiara Schlee Claudia Muhle-Goll Martin Nieger Stefan Br äse Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4547: Δ8(14)-Ergostenol Glycoside Derivatives Inhibit the Expression of Inflammatory Mediators and Matrix Metalloproteinase
In this study, a new sterol, Δ8(14)-ergostenol, was discovered, and its glycosides were synthesized and found to be more efficient in terms of synthesis or anti-inflammatory activity than either spinasterol or 5,6-dihydroergosterol is. Among these synthetic glycosides, galactosyl ergostenol inhibited the expression of inflammatory mediators in TNF-α-stimulated FLS and TNF-α-induced MMPs and collagen type II A1 degradation in human chondrocytes. These results suggest the new galactosyl ergostenol as a treatment candidate for arthritis. (Source: Molecules)
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Hyejin Moon Myoungsil Ko Yujin Park Jeonguk Kim Dowon Yoon Eunjoohwang Lee Taehoon Lee Hakwon Kim Tags: Communication Source Type: research

Molecules, Vol. 26, Pages 4550: Curcumin –Coumarin Hybrid Analogues as Multitarget Agents in Neurodegenerative Disorders
Molecules, Vol. 26, Pages 4550: Curcumin–Coumarin Hybrid Analogues as Multitarget Agents in Neurodegenerative Disorders Molecules doi: 10.3390/molecules26154550 Authors: Elías Quezada Fernanda Rodríguez-Enríquez Reyes Laguna Elena Cutrín Francisco Otero Eugenio Uriarte Dolores Viña Neurodegenerative diseases have a complex nature which highlights the need for multitarget ligands to address the complementary pathways involved in these diseases. Over the last decade, many innovative curcumin-based compounds have been designed and synthesized, searching for new deri...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: El ías Quezada Fernanda Rodr íguez-Enríquez Reyes Laguna Elena Cutr ín Francisco Otero Eugenio Uriarte Dolores Vi ña Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4553: Identification of Broad-Spectrum MMP Inhibitors by Virtual Screening
Pujadas Garcia-Vallvé Matrix metalloproteinases (MMPs) are the family of proteases that are mainly responsible for degrading extracellular matrix (ECM) components. In the skin, the overexpression of MMPs as a result of ultraviolet radiation triggers an imbalance in the ECM turnover in a process called photoaging, which ultimately results in skin wrinkling and premature skin ageing. Therefore, the inhibition of different enzymes of the MMP family at a topical level could have positive implications for photoaging. Considering that the MMP catalytic region is mostly conserved across different enzymes of the M...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Gimeno Cuffaro Nuti Ojeda-Montes Beltr án-Debón Mulero Rossello Pujadas Garcia-Vallv é Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4551: The Therapeutic Potential of Cannabis in Counteracting Oxidative Stress and Inflammation
ski Significant growth of interest in cannabis (Cannabis sativa L.), especially its natural anti-inflammatory and antioxidative properties, has been observed recently. This narrative review aimed to present the state of the art of research concerning the anti-inflammatory activity of all classes of cannabinoids published in the last five years. Multimodal properties of cannabinoids include their involvement in immunological processes, anti-inflammatory, and antioxidative effects. Cannabinoids and non-cannabinoid compounds of cannabis proved their anti-inflammatory effects in numerous animal models. The research in huma...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Micha ł Graczyk Agata Anna Lewandowska Tomasz Dzier żanowski Tags: Review Source Type: research

Molecules, Vol. 26, Pages 4552: Preparation and Evaluation of Novel Folate Isonitrile 99mTc Complexes as Potential Tumor Imaging Agents to Target Folate Receptors
nbo Zhang In order to seek novel technetium-99m folate receptor-targeting agents, two folate derivatives (CN5FA and CNPFA) were synthesized and radiolabeled to obtain [99mTc]Tc-CN5FA and [99mTc]Tc-CNPFA complexes, which exhibited high radiochemical purity (>95%) without purification, hydrophilicity, and good stability in vitro. The KB cell competitive binding experiments indicated that [99mTc]Tc-CN5FA and [99mTc]Tc-CNPFA had specificity to folate receptor. Biodistribution studies in KB tumor-bearing mice illustrated that [99mTc]Tc-CN5FA and [99mTc]Tc-CNPFA had specific tumor uptake. Compared with [99mTc]Tc-C...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Junhong Feng Xuran Zhang Qing Ruan Yuhao Jiang Junbo Zhang Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4555: Experimental and Theoretical Insights on Methylene Blue Removal from Wastewater Using an Adsorbent Obtained from the Residues of the Orange Industry
abeth Flórez Chemical and thermochemical transformations were performed on orange peel to obtain materials that were characterized and further tested to explore their potential as adsorbents for the removal of methylene blue (MB) from aqueous solutions. The results show the high potential of some of these materials for MB adsorption not only due to the surface area of the resulting substrate but also to the chemistry of the corresponding surface functional groups. Fitting of the kinetic as well as the equilibrium experimental data to different models suggests that a variety of interactions are involved in MB ads...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Stephanie Giraldo Irma Robles Luis A. God ínez Nancy Acelas Elizabeth Fl órez Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4554: Effect of Hydrated Ionic Liquid on Photocycle and Dynamics of Photoactive Yellow Protein
oshifumi Kimura The mechanism by which proteins are solvated in hydrated ionic liquids remains an open question. Herein, the photoexcitation dynamics of photoactive yellow protein dissolved in hydrated choline dihydrogen phosphate (Hy[ch][dhp]) were studied by transient absorption and transient grating spectroscopy. The photocyclic reaction of the protein in Hy[ch][dhp] was similar to that observed in the buffer solution, as confirmed by transient absorption spectroscopy. However, the structural change of the protein during the photocycle in Hy[ch][dhp] was found to be different from that observed in the buffer solutio...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Utana Umezaki Miu Hatakenaka Kana Onodera Hiroto Mizutani Suhyang Kim Yusuke Nakasone Masahide Terazima Yoshifumi Kimura Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4549: Preparation of Antiproliferative Terpene-Alkaloid Hybrids by Free Radical-Mediated Modification of ent-Kauranic Derivatives
ceslav Kulcițki A convenient strategy for molecular editing of available ent-kauranic natural scaffolds has been developed based on radical mediated C–C bond formation. Iodine atom transfer radical addition (ATRA) followed by rapid ionic elimination and radical azidoalkylation were investigated. Both reactions involve radical addition to the exo-methylenic double bond of the parent substrate. Easy transformations of the obtained adducts lead to extended diterpenes of broad structural diversity and artificial diterpene-alkaloid hybrids possessing lactam and pyrrolidine pharmacophores. The cytotoxicity of selected...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Elena Pruteanu Vladilena G îrbu Nicon Ungur Leentje Persoons Dirk Daelemans Philippe Renaud Veaceslav Kulci țki Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4561: All-Fiber Tunable Pulsed 1.7 μm Fiber Lasers Based on Stimulated Raman Scattering of Hydrogen Molecules in Hollow-Core Fibers
Molecules, Vol. 26, Pages 4561: All-Fiber Tunable Pulsed 1.7 μm Fiber Lasers Based on Stimulated Raman Scattering of Hydrogen Molecules in Hollow-Core Fibers Molecules doi: 10.3390/molecules26154561 Authors: Pei Li Huang Wang Wang Fiber lasers that operate at 1.7 μm have important applications in many fields, such as biological imaging, medical treatment, etc. Fiber gas Raman lasers (FGRLs) based on gas stimulated Raman scattering (SRS) in hollow-core photonic crystal fibers (HC-PCFs) provide an elegant way to realize efficient 1.7 μm fiber laser output. Here, we report the first all-fiber str...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Pei Li Huang Wang Wang Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4560: A Novel Deep Blue LE-Dominated HLCT Excited State Design Strategy and Material for OLED
u Bing Yang Deep blue luminescent materials play a crucial role in the organic light-emitting diodes (OLEDs). In this work, a novel deep blue molecule based on hybridized local and charge-transfer (HLCT) excited state was reported with the emission wavelength of 423 nm. The OLED based on this material achieved high maximum external quantum efficiency (EQE) of 4% with good color purity. The results revealed that the locally-excited (LE)-dominated HLCT excited state had obvious advantages in short wavelength and narrow spectrum emission. What is more, the experimental and theoretical combination was used to describe th...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Xuzhou Tian Jiyao Sheng Shitong Zhang Shengbing Xiao Ying Gao Haichao Liu Bing Yang Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4562: Studies on the Processes of Electron Capture and Clustering of Benzyl Chloride by Ion Mobility Spectrometry
uton This paper presents the results of the study on the course of the benzyl chloride (BzCl) ionization process in a drift tube ion mobility spectrometer (DT IMS) in which nitrogen was used as the carrier gas. BzCl ionization follows the dissociative electron capture mechanism. The chloride ions produced in this process take part in the formation of cluster ions. Using DT IMS allows for estimation of the value of the electron attachment rate for BzCl and the equilibrium constant for the cluster ion formation. The basic experimental method used in this work was to analyze drift time spectra obtained for the introductio...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Wola ńska Budzy ńska Puton Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4563: A Review on Phytochemicals of the Genus Maytenus and Their Bioactive Studies
ng Li Yuan The genus Maytenus is a member of the Celastraceae family, of which several species have long been used in traditional medicine. Between 1976 and 2021, nearly 270 new compounds have been isolated and elucidated from the genus Maytenus. Among these, maytansine and its homologues are extremely rare in nature. Owing to its unique skeleton and remarkable bioactivities, maytansine has attracted many synthetic endeavors in order to construct its core structure. In this paper, the current status of the past 45 years of research on Maytenus, with respect to its chemical and biological activities are discussed....
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Huang Chen Ma Xu Jia Deng Li Yuan Tags: Review Source Type: research

Molecules, Vol. 26, Pages 4565: The Effect of Fat Content and Fatty Acids Composition on Color and Textural Properties of Butter
The textural properties of butter are influenced by its fat content and implicitly by the fatty acids composition. The impact of butter’s chemical composition variation was studied in accordance with texture and color properties. From 37 fatty acids examined, only 18 were quantified in the analyzed butter fat samples, and approximately 69.120% were saturated, 25.482% were monounsaturated, and 5.301% were polyunsaturated. The butter samples’ viscosity ranged between 0.24 and 2.12 N, while the adhesiveness ranged between 0.286 to 18.19 N·mm. The principal component analysis (PCA) separated the butter...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: P ădureţ Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4566: Inhibitory Activity and Mechanism Investigation of Hypericin as a Novel α-Glucosidase Inhibitor
In this study, the inhibition of hypericin by α-glucosidase and its mechanism were firstly investigated using enzyme kinetics analysis, real-time interaction analysis between hypericin and α-glucosidase by surface plasmon resonance (SPR), and molecular docking simulation. The results showed that hypericin was a high potential reversible and competitive α-glucosidase inhibitor, with a maximum half inhibitory concentration (IC50) of 4.66 ± 0.27 mg/L. The binding affinities of hypericin with α-glucosidase were assessed using an SPR detection system, which indicated that these were strong and fas...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Dong Hu Yue Wang Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4567: A Study of the Interaction, Morphology, and Structure in Trypsin-Epigallocatechin-3-Gallate Complexes
Chen Wang Understanding the interaction between proteins and polyphenols is of significance to food industries. The aim of this research was to investigate the mode of aggregation for trypsin-EGCG (Epigallocatechin-3-gallate) complexes. For this, the complex was characterized by fluorescence spectroscopy, circular dichroism (CD) spectra, small-angel X-ray scattering (SAXS), and atomic force microscope (AFM) techniques. The results showed that the fluorescence intensity of trypsin-EGCG complexes decreased with increasing the concentration of EGCG, indicating that the interaction between trypsin and EGCG resulted ...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Liu Ghanizadeh Li Han Qiu Zhang Chen Wang Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4568: Astatine Facing Janus: Halogen Bonding vs. Charge-Shift Bonding
stel Galland The nature of halogen-bond interactions was scrutinized from the perspective of astatine, potentially the strongest halogen-bond donor atom. In addition to its remarkable electronic properties (e.g., its higher aromaticity compared to benzene), C6At6 can be involved as a halogen-bond donor and acceptor. Two-component relativistic calculations and quantum chemical topology analyses were performed on C6At6 and its complexes as well as on their iodinated analogues for comparative purposes. The relativistic spin–orbit interaction was used as a tool to disclose the bonding patterns and the mechanisms t...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Sarr Pilm é Montavon Le Questel Galland Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4557: Functional Nanocomposite Films of Poly(Lactic Acid) with Well-Dispersed Chitin Nanocrystals Achieved Using a Dispersing Agent and Liquid-Assisted Extrusion Process
iina Oksman The development of bio-based nanocomposites is of high scientific and industrial interest, since they offer excellent advantages in creating functional materials. However, dispersion and distribution of the nanomaterials inside the polymer matrix is a key challenge to achieve high-performance functional nanocomposites. In this context, for better dispersion, biobased triethyl citrate (TEC) as a dispersing agent in a liquid-assisted extrusion process was used to prepare the nanocomposites of poly (lactic acid) (PLA) and chitin nanocrystals (ChNCs). The aim was to identify the effect of the TEC content on the...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Mitul Patel Daniel Schwendemann Giorgia Spigno Shiyu Geng Linn Berglund Kristiina Oksman Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4559: Polysaccharide Structures and Their Hypocholesterolemic PoTential
bra Filipe Coreta-Gomes Several classes of polysaccharides have been described to have hypocholesterolemic potential, namely cholesterol bioaccessibility and bioavailability. This review will highlight the main mechanisms by which polysaccharides are known to affect cholesterol homeostasis at the intestine, namely the effect (i) of polysaccharide viscosity and its influence on cholesterol bioaccessibility; (ii) on bile salt sequestration and its dependence on the structural diversity of polysaccharides; (iii) of bio-transformations of polysaccharides and bile salts by the gut microbiota. Different quantitative struct...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: In ês M. V. Silva Fernanda Machado Maria Jo ão Moreno Cl áudia Nunes Manuel A. Coimbra Filipe Coreta-Gomes Tags: Review Source Type: research

Molecules, Vol. 26, Pages 4558: Dual XH –π Interaction of Hexafluoroisopropanol with Arenes
Molecules, Vol. 26, Pages 4558: Dual XH–π Interaction of Hexafluoroisopropanol with Arenes Molecules doi: 10.3390/molecules26154558 Authors: Le Lu Ruimao Hua The dual XH (OH and CH) hydrogen-bond-donating property of 1,1,1,3,3,3-hexafluoroisopropanol (HFIP) and the strong dual XH–π interaction with arenes were firstly disclosed by theoretical studies. Here, the high accuracy post-Hartree–Fock methods, CCSD(T)/CBS, reveal the interaction energy of HFIP/benzene complex (−7.22 kcal/mol) and the contribution of the electronic correlation energy in the total interaction energy. Strong orb...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Le Lu Ruimao Hua Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4569: High-Throughput Griess Assay of Nitrite and Nitrate in Plasma and Red Blood Cells for Human Physiology Studies under Extreme Conditions
Paroni Rubino The metabolism of nitric oxide plays an increasingly interesting role in the physiological response of the human body to extreme environmental conditions, such as underwater, in an extremely cold climate, and at low oxygen concentrations. Field studies need the development of analytical methods to measure nitrite and nitrate in plasma and red blood cells with high requirements of accuracy, precision, and sensitivity. An optimized spectrophotometric Griess method for nitrite–nitrate affords sensitivity in the low millimolar range and precision within ±2 μM for both nitrite and nitrate, r...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Brizzolari Dei Cas Cialoni Marroni Morano Samaja Paroni Rubino Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4570: Vectorizing Pro-Insecticide: Influence of Linker Length on Insecticidal Activity and Phloem Mobility of New Tralopyril Derivatives
Ma Yang To improve the proinsecticidal activity and phloem mobility of amino acid–tralopyril conjugates further, nine conjugates were designed and synthesized by introducing glutamic acid to tralopyril, and the length of the linker between glutamic acid and tralopyril ranged from 2 atoms to 10 atoms. The results of insecticidal activity against the third-instar larvae of P. xylostella showed that conjugates 42, 43, 44, and 45 (straight-chain containing 2–5 atoms) exhibited good insecticidal activity, and their LC50 values were 0.2397 ± 0.0366, 0.4413 ± 0.0647, 0.4400 ± 0.0624, and 0....
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Li Chen Liu Ma Yang Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4571: Non-Saccharomyces as Biotools to Control the Production of Off-Flavors in Wines
lez Escott Off-flavors produced by undesirable microbial spoilage are a major concern in wineries, as they affect wine quality. This situation is worse in warm areas affected by global warming because of the resulting higher pHs in wines. Natural biotechnologies can aid in effectively controlling these processes, while reducing the use of chemical preservatives such as SO2. Bioacidification reduces the development of spoilage yeasts and bacteria, but also increases the amount of molecular SO2, which allows for lower total levels. The use of non-Saccharomyces yeasts, such as Lachancea thermotolerans, results in effec...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Morata Loira Gonz ález Escott Tags: Review Source Type: research

Molecules, Vol. 26, Pages 4564: A Natural Alternative Treatment for Urinary Tract Infections: Itxasol ©, the Importance of the Formulation
Molecules, Vol. 26, Pages 4564: A Natural Alternative Treatment for Urinary Tract Infections: Itxasol©, the Importance of the Formulation Molecules doi: 10.3390/molecules26154564 Authors: José M. Cela-López Claudio J. Camacho Roldán Gorka Gómez-Lizarraga Vicente Martínez Genito-urinary tract infections have a high incidence in the general population, being more prevalent among women than men. These diseases are usually treated with antibiotics, but very frequently, they are recurrent and lead to the creation of resistance and are associated with increased morbidity and ...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Jos é M. Cela-López Claudio J. Camacho Rold án Gorka G ómez-Lizarraga Vicente Mart ínez Tags: Review Source Type: research

Molecules, Vol. 26, Pages 4556: Chemical Composition and Cytotoxic Activity of the Essential Oil and Oleoresins of In Vitro Micropropagated Ansellia africana Lindl: A Vulnerable Medicinal Orchid of Africa
taden Orchids are rich treasure troves of various important phytomolecules. Among the various medicinal orchids, Ansellia africana stands out prominently in the preparing of various herbal medicines due to its high therapeutic importance. The nodal explants of A. africana were sampled from asymbiotically germinated seedlings on basal Murashige and Skoog (MS) medium and were micropropagated in MS medium supplemented with 3% sucrose and 10 µM meta topolin (mT) + 5 µM naphthalene acetic acid (NAA) +15 µM indole butyric acid (IBA) + 30 µM phloroglucinol (PG). In the present study, the essential oil ...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Md. Moshfekus Saleh-E-In Paromik Bhattacharyya Johannes Van Staden Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4572: Polymeric Microfiltration Membranes Modification by Supercritical Solvent Impregnation —Potential Application in Open Surgical Wound Ventilation
This study investigated supercritical solvent impregnation of polyamide microfiltration membranes with carvacrol and the potential application of the modified membranes in ventilation of open surgical wounds. The impregnation process was conducted in batch mode at a temperature of 40 °C under pressures of 10, 15, and 20 MPa for contact times from 1 to 6 h. FTIR was applied to confirm the presence of carvacrol on the membrane surface. In the next step, the impact of the modification on the membrane structure was studied using scanning electron and ion beam microscopy and cross-filtration tests. Further, the release of c...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Nowak Misic Trusek Zizovic Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4574: Use of Ch ènevotte, a Valuable Co-Product of Industrial Hemp Fiber, as Adsorbent for Pollutant Removal. Part I: Chemical, Microscopic, Spectroscopic and Thermogravimetric Characterization of Raw and Modified Samples
In this study, the impact of water washing and treatments (KOH, Na2CO3 and H3PO4) on the composition and structure of chènevotte (also called hemp shives) was evaluated using chemical analysis, X-ray diffraction (XRD) analysis, scanning electron microscopy (SEM), energy-dispersive X-ray (EDX) spectroscopy, X-ray computed nanotomography (nano-CT), attenuated total reflectance–Fourier transform infrared (ATR-FTIR) spectroscopy, solid state NMR spectroscopy and thermogravimetric analysis. The results showed that all these techniques are complementary and useful to characterize the structure and morphology of the ...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Mongiov í Lacalamita Morin-Crini Gabrion Ivanovska Sala Placet Rizzi Gubitosa Mesto Ribeiro Fini Vietro Schingaro Kosti ć Cosentino Cosma Bradu Chanet Crini Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4575: Effects of Enzymatic Pretreatment of Seeds on the Physicochemical Properties, Bioactive Compounds, and Antioxidant Activity of Pomegranate Seed Oil
awole Enzymatic pretreatment of seeds is a novel approach that enhances the health benefits of the extracted oil. The study investigated the influence of the enzymatic pretreatment of seeds on the quality of oil from different pomegranate cultivars. The quality of the ultrasound-assisted (and ethanol-extracted) oil was studied, with respect to the refractive index (RI), yellowness index (YI), conjugated dienes (K232), peroxide value (PV) ρ-anisidine value (AV), total oxidation value (TOTOX), total carotenoid content (TCC), total phenolic compounds (TPC), fatty acid composition, phytosterol composition, ferric reduc...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Tafadzwa Kaseke Umezuruike Linus Opara Olaniyi Amos Fawole Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4573: Synthesis, Characterization, In Vitro Anticancer Potentiality, and Antimicrobial Activities of Novel Peptide –Glycyrrhetinic-Acid-Based Derivatives
This study deals with the design and synthesis of new glycyrrhetinic acid (GA)–amino acid peptides and peptide ester derivatives. The structures of the new derivatives were established through various spectral and microanalytical data. The novel compounds were screened for their in vitro cytotoxic activity. The evaluation results showed that the new peptides produced promising cytotoxic activity against the human breast MCF-7 cancer cell line while comparing to doxorubicin. On the other hand, only compounds 3, 5, and 7 produced potent activity against human colon HCT-116 cancer cell line. The human liver cancer (HepG...
Source: Molecules - July 28, 2021 Category: Chemistry Authors: Gaber O. Moustafa Ahmed Shalaby Ahmed M. Naglah Marwa M. Mounier Heba El-Sayed Manal M. Anwar Eman S. Nossier Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4505: Determination of Triterpenoids and Phenolic Acids from Sanguisorba officinalis L. by HPLC-ELSD and Its Application
Wei Chunjuan Yang A novel analytical method involving high-performance liquid chromatography with evaporative light scattering detection (HPLC-ELSD) was developed for simultaneous determination of 11 phenolic acids and 12 triterpenes in Sanguisorba officinalis L. Chromatographic separation was conducted with gradient elution mode by using a DiamonsilTM C18 column (250 mm × 4.6 mm, 5 μm) with the mobile phase of 0.1% acetic acid water (A) and methanol (B). The drift tube temperature of ELSD was set at 70 °C and the nitrogen cumulative flow rate was 1.6 L/min. The method was fully validated to be linear ov...
Source: Molecules - July 27, 2021 Category: Chemistry Authors: Jiahui Sun Chunli Gan Jing Huang Zhenyue Wang Chengcui Wu Shuang Jiang Xinrong Yang Hesong Peng Fanshu Wei Chunjuan Yang Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4506: Thiourea Derivatives, Simple in Structure but Efficient Enzyme Inhibitors and Mercury Sensors
In this study six unsymmetrical thiourea derivatives, 1-isobutyl-3-cyclohexylthiourea (1), 1-tert-butyl-3-cyclohexylthiourea (2), 1-(3-chlorophenyl)-3-cyclohexylthiourea (3), 1-(1,1-dibutyl)-3-phenylthiourea (4), 1-(2-chlorophenyl)-3-phenylthiourea (5) and 1-(4-chlorophenyl)-3-phenylthiourea (6) were obtained in the laboratory under aerobic conditions. Compounds 3 and 4 are crystalline and their structure was determined for their single crystal. Compounds 3 is monoclinic system with space group P21/n while compound 4 is trigonal, space group R3:H. Compounds (1–6) were tested for their anti-cholinesterase activity aga...
Source: Molecules - July 27, 2021 Category: Chemistry Authors: Faizan Ur Rahman Maryam Bibi Ezzat Khan Abdul Bari Shah Mian Muhammad Muhammad Nawaz Tahir Adnan Shahzad Farhat Ullah Muhammad Zahoor Salman Alamery Gaber El-Saber Batiha Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4507: Natural Products from Madagascar, Socio-Cultural Usage, and Potential Applications in Advanced Biomedicine: A Concise Review
Risuleo Natural products endowed of biological activity represent a primary source of commodities ranging from nutrition to therapeutic agents, as well as cosmetic tools and recreational principles. These natural means have been used by mankind for centuries, if not millennia. They are commonly used all over the world in socio-economical contexts, but are particularly attractive in disadvantaged areas or economically emerging situations all over the world. This is very likely due to the relatively easy recovery of these bioactive principles from the environment, at a low if any cost, as well as ease of administration a...
Source: Molecules - July 27, 2021 Category: Chemistry Authors: Camillo La Mesa Oliarinony Ranalison Lovasoa N. Randriantseheno Gianfranco Risuleo Tags: Review Source Type: research

Molecules, Vol. 26, Pages 4508: Synthesis of Hierarchical MOR-Type Zeolites with Improved Catalytic Properties
Jean Daou Hierarchical MOR-type zeolites were synthesized in the presence of hexadecyltrimethylammonium bromide (CTAB) as a porogen agent. XRD proved that the concentration of CTAB in the synthesis medium plays an essential role in forming pure hierarchical MOR-type material. Above a CTAB concentration of 0.04 mol·L−1, amorphous materials are observed. These hierarchical mordenite possess a higher porous volume compared to its counterpart conventional micrometer crystals. Nitrogen sorption showed the presence of mesoporosity for all mordenite samples synthesized in the presence of CTAB. The creation of mes...
Source: Molecules - July 27, 2021 Category: Chemistry Authors: Zeinab Mcheik Ludovic Pinard Joumana Toufaily Tayssir Hamieh T. Jean Daou Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4510: Preclinical Bioavailability, Tissue Distribution, and Protein Binding Studies of Erinacine A, a Bioactive Compound from Hericium erinaceus Mycelia Using Validated LC-MS/MS Method
This study aimed to investigate the bioavailability, tissue distribution, and protein binding of erinacine A in Sprague-Dawley rats. After oral administration (po) and intravenous administration (iv) of 2.381 g/kg BW of the H. erinaceus mycelia extract (equivalent to 50 mg/kg BW of erinacine A) and 5 mg/kg BW of erinacine A, respectively, the absolute bioavailability of erinacine A was estimated as 24.39%. Erinacine A was detected in brain at 1 h after oral dosing and reached the peak at 8 h. Protein binding assay showed unbound erinacine A fractions in brain to blood ratio is close to unity, supporting passive diffusion a...
Source: Molecules - July 27, 2021 Category: Chemistry Authors: Pei-Ching Tsai Yi-Kai Wu Jun-Hao Hu I-Chen Li Ting-Wei Lin Chin-Chu Chen Chia-Feng Kuo Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4509: SR-17018 Stimulates Atypical µ-Opioid Receptor Phosphorylation and Dephosphorylation
Molecules, Vol. 26, Pages 4509: SR-17018 Stimulates Atypical µ-Opioid Receptor Phosphorylation and Dephosphorylation Molecules doi: 10.3390/molecules26154509 Authors: Sebastian Fritzw.er Stefan Schulz Andrea Kliewer Opioid-associated overdoses and deaths due to respiratory depression are a major public health problem in the US and other Western countries. In the past decade, much research effort has been directed towards the development of G-protein-biased µ-opioid receptor (MOP) agonists as a possible means to circumvent this problem. The bias hypothesis proposes that G-protein signaling mediates a...
Source: Molecules - July 27, 2021 Category: Chemistry Authors: Sebastian Fritzwanker Stefan Schulz Andrea Kliewer Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4512: Unexpected Enhancement of Antimicrobial Polymer Activity against Staphylococcus aureus in the Presence of Fetal Bovine Serum
F. Palermo Cationic and amphiphilic polymers are known to exert broad-spectrum antibacterial activity by a putative mechanism of membrane disruption. Typically, nonspecific binding to hydrophobic components of the complex biological milieu, such as globular proteins, is considered a deterrent to the successful application of such polymers. To evaluate the extent to which serum deactivates antibacterial polymethacrylates, we compared their minimum inhibitory concentrations in the presence and absence of fetal bovine serum. Surprisingly, we discovered that the addition of fetal bovine serum (FBS) to the assay media in fa...
Source: Molecules - July 27, 2021 Category: Chemistry Authors: Iva Sovadinov á Kenichi Kuroda Edmund F. Palermo Tags: Communication Source Type: research

Molecules, Vol. 26, Pages 4511: Scarlet Flax Linum grandiflorum (L.) In Vitro Cultures as a New Source of Antioxidant and Anti-Inflammatory Lignans
This report provides a viable approach for enhanced biomass accumulation and efficient production of (neo)lignans in L. grandiflorum callus cultures. (Source: Molecules)
Source: Molecules - July 27, 2021 Category: Chemistry Authors: Bushra Asad Taimoor Khan Faiza Zareen Gul Muhammad Asad Ullah Samantha Drouet Sara Mikac Laurine Garros Manon Ferrier Shankhamala Bose Thibaut Munsch Duangjai Tungmunnithum Arnaud Lanoue Nathalie Giglioli-Guivarc ’h Christophe Hano Bilal Haider Abbasi Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4513: Systematic Exploration of the Synthetic Parameters for the Production of Dynamic VO2(M1)
Silvia Gross Thermochromic dynamic cool materials present a reversible change of their properties wherein by increasing the temperature, the reflectance, conductivity, and transmittance change due to a reversible crystalline phase transition. In particular, vanadium (IV) dioxide shows a reversible phase transition, accompanied by a change in optical properties, from monoclinic VO2(M1) to tetragonal VO2(R). In this paper, we report on a systematic exploration of the parameters for the synthesis of vanadium dioxide VO2(M1) via an easy, sustainable, reproducible, fast, scalable, and low-cost hydrothermal route without ha...
Source: Molecules - July 27, 2021 Category: Chemistry Authors: Giulia Bragaggia Andrea Cacciatore Elisa Poffe Claudia Capone Federico Zorzi Valerio Causin Silvia Gross Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4514: Lipemia in the Plasma Sample Affects Fentanyl Measurements by Means of HPLC-MS2 after Liquid-Liquid Extraction
niak Examination of fentanyl levels is frequently performed in certain scientific evaluations and forensic toxicology. It often involves the collection of very variable blood samples, including lipemic plasma or serum. To date, many works have reported the methods for fentanyl detection, but none of them have provided information about the impact on the assay performance caused by an excessive amount of lipids. This aspect may be, however, very important for highly lipophilic drugs like fentanyl. To address this issue, we developed the liquid chromatography method with mass spectrometry detection and utilized it to inv...
Source: Molecules - July 27, 2021 Category: Chemistry Authors: Marta Tikhomirov Tomasz Śniegocki B łażej Poźniak Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4516: Neobavaisoflavone May Modulate the Activity of Topoisomerase Inhibitors towards U-87 MG Cells: An In Vitro Study
This study also provides, for the first time, evidence of the potentialization of the doxorubicin effect by NBIF, which was shown by the reduction in the viability in U-87 MG cells. (Source: Molecules)
Source: Molecules - July 27, 2021 Category: Chemistry Authors: Mateusz Maszczyk Zuzanna Rzepka Jakub Rok Artur Beberok Dorota Wrze śniok Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4518: Formulation Effects in the Antioxidant Activity of Extract from the Leaves of Cymbopogon citratus (DC) Stapf
ute;nia Pina Cymbopogon citratus DC (Stapf.) is a perennial grass and it is distributed around the world. It is used as a condiment for food and beverage flavouring in the form of infusions and decoctions of its dried leaves. Our previous studies have shown antioxidant, anti-inflammatory and gastroprotective activities for the infusion and its phenolic fractions. The aim of the present work was to develop oral dosage forms from a Cymbopogon citratus extract to be used as a functional food with antioxidant properties. Initially, an essential oil-free infusion was prepared, lyophilized and characterized by HPLC-PDA. Tota...
Source: Molecules - July 27, 2021 Category: Chemistry Authors: Raquel Sousa Artur Figueirinha Maria Teresa Batista Maria Eug énia Pina Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4519: Glycosidically-Bound Volatile Phenols Linked to Smoke Taint: Stability during Fermentation with Different Yeasts and in Finished Wine
ll Zandberg When wine grapes are exposed to smoke, there is a risk that the resulting wines may possess smoky, ashy, or burnt aromas, a wine flaw known as smoke taint. Smoke taint occurs when the volatile phenols (VPs) largely responsible for the aroma of smoke are transformed in grape into a range of glycosides that are imperceptible by smell. The majority of VP-glycosides described to date are disaccharides possessing a reducing β-d-glucopyranosyl moiety. Here, a two-part experiment was performed to (1) assess the stability of 11 synthesized VP-glycosides towards general acid-catalyzed hydrolysis during aging...
Source: Molecules - July 27, 2021 Category: Chemistry Authors: Whitmore McCann Noestheden Dennis Lyons Durall Zandberg Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4521: 8-, 9-, and 11-Aryloxy Dimeric Aporphines and Their Pharmacological Activities
Cuny Aporphines, a major group of aporphinoid alkaloids, exhibit interesting and diverse pharmacological activities. A set of dimeric aporphines with an aryloxy group at C8, C9, and C11 have been isolated from six genera and shown to elicit various biological activities such as antitumor, antimalarial, antimicrobial, antiplatelet aggregation, antifibrotic, immunosuppressive, and vasorelaxant properties. In this review, the nomenclature, chemical structures, botanical sources, pharmacological activities, and synthetic approaches of this set of dimeric alkaloids are presented. (Source: Molecules)
Source: Molecules - July 27, 2021 Category: Chemistry Authors: Ali Cuny Tags: Review Source Type: research

Molecules, Vol. 26, Pages 4517: Ni Foam-Supported Tin Oxide Nanowall Array: An Integrated Supercapacitor Anode
Xiuli Fu A novel product consisting of a homogeneous tin oxide nanowall array with abundant oxygen deficiencies and partial Ni-Sn alloying onto a Ni foam substrate was successfully prepared using a facile solvothermal synthesis process with subsequent thermal treatment in a reductive atmosphere. Such a product could be directly used as integrated anodes for supercapacitors, which showed outstanding electrochemical properties with a maximum specific capacitance of 31.50 mAh·g−1 at 0.1 A·g−1, as well as good cycling performance, with a 1.35-fold increase in capacitance after 10,000 cycles. An a...
Source: Molecules - July 27, 2021 Category: Chemistry Authors: Ye Tian Qi Wang Zhijian Peng Shundong Guan Xiuli Fu Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4515: Recovery of Chlorogenic Acids from Agri-Food Wastes: Updates on Green Extraction Techniques
Papetti The agri-food sector produces a huge amount of agri-food wastes and by-products, with a consequent great impact on environmental, economic, social, and health aspects. The reuse and recycling of by-products represents a very important issue: for this reason, the development of innovative recovery and extraction methodologies must be mandatory. In this context of a circular economy, the study of green extraction techniques also becomes a priority in substitution of traditional extraction approaches. This review is focused on the recovery of chlorogenic acids from agri-food wastes, as these compounds have an i...
Source: Molecules - July 27, 2021 Category: Chemistry Authors: Frosi Montagna Colombo Milanese Papetti Tags: Review Source Type: research

Molecules, Vol. 26, Pages 4520: Vitamin E Can Ameliorate Oxidative Damage of Ovine Hepatocytes In Vitro by Regulating Genes Expression Associated with Apoptosis and Pyroptosis, but Not Ferroptosis
Conclusions: oxidative stress induced by hydrogen peroxide caused cellular damage and death in sheep hepatocytes. Pretreatment with vitamin E effectively reduced intracellular ROS levels and protected the hepatocytes from cell death by regulating gene expression associated with apoptosis (RIPK1, TLR7, CASP8, and CASP8AP2) and pyroptosis (NLRP3, IL-1β, and IRAK2), but not ferroptosis (TFRC and PTGS2). (Source: Molecules)
Source: Molecules - July 27, 2021 Category: Chemistry Authors: Luyang Jian Ying Xue Yuefeng Gao Bo Wang Yanghua Qu Shuanghong Li Heqiong Li Zhen Li Bing Wang Hailing Luo Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4522: Metabolic Engineering of Microbial Cell Factories for Biosynthesis of Flavonoids: A Review
This article mainly reviews the biosynthetic pathways of flavonoids and the development of microbial expression systems for the production of flavonoids in order to provide a useful reference for further research on synthetic metabolic engineering of flavonoids. Meanwhile, the application of co-culture systems in the biosynthesis of flavonoids is emphasized in this review. (Source: Molecules)
Source: Molecules - July 27, 2021 Category: Chemistry Authors: Lou Hu Lu Wei Chen Tags: Review Source Type: research

Molecules, Vol. 26, Pages 4523: Quantifying Conformational Isomerism in Chain Molecules by Linear Raman Spectroscopy: The Case of Methyl Esters
uhm The conformational preferences of the ester group have the potential to facilitate the large amplitude folding of long alkyl chains in the gas phase. They are monitored by Raman spectroscopy in supersonic jet expansions for the model system methyl butanoate, after establishing a quantitative relationship with quantum–chemical predictions for methyl methanoate. This requires a careful analysis of experimental details, and a simulation of the rovibrational contours for near-symmetric top molecules. The technique is shown to be complementary to microwave spectroscopy in quantifying coexisting conformations. It c...
Source: Molecules - July 27, 2021 Category: Chemistry Authors: Maxim Gawrilow Martin A. Suhm Tags: Article Source Type: research

Molecules, Vol. 26, Pages 4524: The Valence-Bond (VB) Model and Its Intimate Relationship to the Symmetric or Permutation Group
o VB and molecular orbital (MO) models are normally distinguished by the fact the first looks at molecules as a collection of atoms held together by chemical bonds while the latter adopts the view that each molecule should be regarded as an independent entity built up of electrons and nuclei and characterized by its molecular structure. Nevertheless, there is a much more fundamental difference between these two models which is only revealed when the symmetries of the many-electron Hamiltonian are fully taken into account: while the VB and MO wave functions exhibit the point-group symmetry, whenever present in the many-...
Source: Molecules - July 27, 2021 Category: Chemistry Authors: Marco Antonio Chaer Nascimento Tags: Review Source Type: research