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Molecules, Vol. 28, Pages 4977: Novel Isosteviol-Based FXa Inhibitors: Molecular Modeling, In Silico Design and Docking Simulation
n Koba Direct oral anticoagulants are an important and relatively new class of synthetic anticoagulant drugs commonly used for the pharmacotherapy of thromboembolic disorders. However, they still have some limitations and serious side effects, which continuously encourage medicinal chemists to search for new active compounds acting as human-activated coagulation factor X (FXa) inhibitors. Isosteviol is a nontoxic hydrolysis product of naturally occurring stevioside and possesses a wide range of therapeutic properties, including anticoagulant activity. The present contribution describes the in silico design of novel oxi...
Source: Molecules - June 24, 2023 Category: Chemistry Authors: Marcin Gackowski Burhanuddin Madriwala Renata Studzi ńska Marcin Koba Tags: Article Source Type: research

Molecules, Vol. 28, Pages 4961: Nanoencapsulation of Phenolic Extracts from Native Potato Clones (Solanum tuberosum spp. andigena) by Spray Drying
This study aimed to optimize the spray-drying nanoencapsulation of native potato phenolic extracts utilizing a central composite design and response surface methodology, obtaining the optimal treatment to an inlet temperature of 120 °C and an airflow of 141 L/h in the nano spray dryer B-90, which allowed maximizing the yield of encapsulation, antioxidant capacity (DPPH), encapsulation efficiency (EE), total phenolic compounds, and total flavonoids; on the other hand, it allowed minimizing hygroscopicity, water activity (Aw), and moisture. Instrumental characterization of the nanocapsules was also carried out, o...
Source: Molecules - June 24, 2023 Category: Chemistry Authors: Carlos A. Ligarda-Samanez David Choque-Quispe Elibet Moscoso-Moscoso Henry Palomino-Rinc ón Fredy Taipe-Pardo John Peter Aguirre Aguirre Landa Jos é C. Arévalo-Quijano Jenny C. Mu ñoz-Saenz Uriel R. Quispe-Quezada Mary L. Huam án-Carrión Edgar Guti Tags: Article Source Type: research

Molecules, Vol. 28, Pages 4935: Enhancement of the Bioactive Compound Content and Antibacterial Activities in Curcuma Longa Using Zinc Oxide Nanoparticles
l Incorporating nanoparticles into plant cultivation has been shown to improve growth parameters and alter the bioactive component compositions of many plant species, including Curcumin longa. The aim of the current study was to investigate the effects of foliar application of zinc oxide nanoparticles on the content of bioactive compounds and their antibacterial activities against potential bacterial pathogens. To this end, C. longa leaves were treated with different doses of ZnO NPs to see how this affected their bioactive component composition. The effect of different doses of ZnO NPs on the accumulation of bisdemeth...
Source: Molecules - June 23, 2023 Category: Chemistry Authors: Munirah F. Aldayel Tags: Article Source Type: research

Molecules, Vol. 28, Pages 4934: Morphological Effects of Au Nanoparticles on Electrochemical Sensing Platforms for Nitrite Detection
mei Xia Au nanoparticles were synthesized in a soft template of pseudo-polyanions composed of polyvinylpyrrolidone (PVP) and sodium dodecyl sulfate (SDS) by the in situ reduction of chloroauric acid (HAuCl4) with PVP. The particle sizes and morphologies of the Au nanoparticles were regulated with concentrations of PVP or SDS at room temperature. Distinguished from the Au nanoparticles with various shapes, Au nanoflowers (AuNFs) with rich protrusion on the surface were obtained at the low final concentration of SDS and PVP. The typical AuNF synthesized in the PVP (50 g·L−1)–SDS...
Source: Molecules - June 23, 2023 Category: Chemistry Authors: Ruiqin Feng Ye Fan Yun Fang Yongmei Xia Tags: Article Source Type: research

Molecules, Vol. 28, Pages 4951: The Finally Rewarding Search for A Cytotoxic Isosteviol Derivative
l Csuk Acid hydrolysis of stevioside resulted in a 63% yield of isosteviol (1), which served as a starting material for the preparation of numerous amides. These compounds were tested for cytotoxic activity, employing a panel of human tumor cell lines, and almost all amides were found to be non-cytotoxic. Only the combination of isosteviol, a (homo)-piperazinyl spacer and rhodamine B or rhodamine 101 unit proved to be particularly suitable. These spacered rhodamine conjugates exhibited cytotoxic activity in the sub-micromolar concentration range. In this regard, the homopiperazinyl-spacered derivatives were found to...
Source: Molecules - June 23, 2023 Category: Chemistry Authors: Heisig Heise Hoenke Str öhl Csuk Tags: Article Source Type: research

Molecules, Vol. 28, Pages 4950: Chitosan Nanoparticles-Preparation, Characterization and Their Combination with Ginkgo biloba Extract in Preliminary In Vitro Studies
Krucińska Nanoparticles (NPs), due to their size, have a key position in nanotechnology as a spectrum of solutions in medicine. NPs improve the ability of active substances to penetrate various routes: transdermal, but also digestive (active endocytosis), respiratory and injection. Chitosan, an N-deacetylated derivative of chitin, is a natural biodegradable cationic polymer with antioxidant, anti-inflammatory and antimicrobial properties. Cross-linked chitosan is an excellent matrix for the production of nanoparticles containing active substances, e.g., the Ginkgo biloba extract (GBE). Chitosan nanoparticles with the ...
Source: Molecules - June 23, 2023 Category: Chemistry Authors: Monika Owczarek Lucyna Herczy ńska Przemys ław Sitarek Tomasz Kowalczyk Ewelina Synowiec Tomasz Śliwiński Kruci ńska Tags: Communication Source Type: research

Molecules, Vol. 28, Pages 4938: Naphthalene-Based Polymers as Catalytic Supports for Suzuki Cross-Coupling
nda Z. Nikoshvili In this work, for the first time, naphthalene (NA)-based polymers were synthesized by one-stage Friedel–Crafts crosslinking. The influence of NA functionalization by -OH, -SO3H, and -NO2 groups on the polymers’ porosity and distribution of the catalytically active phase (Pd) was studied. Synthesized catalytic systems containing 1 wt.% of Pd either in the form of Pd(II) species or Pd(0) nanoparticles supported on NA-based polymers were tested in a model reaction of Suzuki cross-coupling between 4-bromoanisole and phenylboronic acid under mild reaction conditions (60 &amp...
Source: Molecules - June 23, 2023 Category: Chemistry Authors: Elena S. Bakhvalova Alexey V. Bykov Mariia E. Markova Yury V. Lugovoy Alexander I. Sidorov Vladimir P. Molchanov Mikhail G. Sulman Lioubov Kiwi-Minsker Linda Z. Nikoshvili Tags: Article Source Type: research

Molecules, Vol. 28, Pages 4932: Nanotechnology & ndash;General Aspects: A Chemical Reduction Approach to the Synthesis of Nanoparticles
This article explains the basic concepts of nanotechnology, introduces methods for synthesizing nanoparticles, and describes their types, properties, and possible applications. Of many methods proposed for the synthesis of metal nanoparticles, a chemical reduction is usually preferred because it is easy to perform, cost-effective, efficient, and also allows control of the structural parameters through optimization of the synthesis conditions. Therefore, a chemical reduction method is discussed in more detail—each factor needed for the synthesis of nanoparticles by chemical reduction is described in detail, i....
Source: Molecules - June 22, 2023 Category: Chemistry Authors: Paulina Szczyglewska Agnieszka Feliczak-Guzik Izabela Nowak Tags: Review Source Type: research

Molecules, Vol. 28, Pages 4918: Phase-Controlled Cobalt Catalyst Boosting Hydrogenation of 5-Hydroxymethylfurfural to 2,5-Dimethylfuran
In this study, an efficient non-noble metal catalyst for hydrogenation, hexagonal close-packed cobalt (HCP-Co), was synthesized through a simple one-step reduction of β-Co(OH)2 nanosheets via a temperature-induced phase transition. The obtained HCP-Co exhibited several-times-higher catalytic efficiency than its face-centered cubic cobalt (FCC-Co) counterpart in the hydrogenation of the C=C/C=O group, especially for the 5-hydroxymethylfurfural (HMF) hydrogenation (8.5-fold enhancement). Density functional theory calculations demonstrated that HMF molecules were adsorbed more firmly on the (112_0) facet of HCP-C...
Source: Molecules - June 22, 2023 Category: Chemistry Authors: Kaixuan Yang Naimeng Chen Xiaomiao Guo Ruoqi Zhang Xiaoyu Sheng Hui Ge Zhiguo Zhu Hengquan Yang Hongying L ü Tags: Article Source Type: research

Molecules, Vol. 28, Pages 4908: The Improved DC Breakdown Strength Induced by Enhanced Interaction between SiO2 Nanoparticles and LLDPE Matrix
Qiyang Guo Direct current (DC) power transmission systems have received great attention because it can easily integrate many types of renewable energies and have low energy loss in long-distance and large-capacity power transmission for electricity global sharing. Nanoparticles (NPs) have a positive effect on the insulation properties of polymers, but weak interaction between NPs and polymer matrix greatly decreases the effort of NPs on the enhancement of insulation properties, and thereby limits its engineering application. In this work, grafting strategy was used to link the modified NPs and polymer matrix to impr...
Source: Molecules - June 22, 2023 Category: Chemistry Authors: Yaqing Lu Yuyao Liu Yujie Tong Huili Cheng Di Yang Jiandong Ding Qiyang Guo Tags: Article Source Type: research

Molecules, Vol. 28, Pages 4895: Comparing the Colloidal Stabilities of Commercial and Biogenic Iron Oxide Nanoparticles That Have Potential In Vitro/In Vivo Applications
S. Schenk For the potential in vitro/in vivo applications of magnetic iron oxide nanoparticles, their stability in different physiological fluids has to be ensured. This important prerequisite includes the preservation of the particles’ stability during the envisaged application and, consequently, their invariance with respect to the transfer from storage conditions to cell culture media or even bodily fluids. Here, we investigate the colloidal stabilities of commercial nanoparticles with different coatings as a model system for biogenic iron oxide nanoparticles (magnetosomes) isolated from magnetotactic...
Source: Molecules - June 21, 2023 Category: Chemistry Authors: Jonas Schwan Simon Markert Sabine Rosenfeldt Dirk Sch üler Frank Mickoleit Anna S. Schenk Tags: Article Source Type: research

Molecules, Vol. 28, Pages 4857: Light-Driven Energy and Charge Transfer Processes between Additives within Electrospun Nanofibres
D. Koivisto Electrospinning is a cost-effective and efficient method of producing polymeric nanofibre films. The resulting nanofibres can be produced in a variety of structures, including monoaxial, coaxial (core@shell), and Janus (side-by-side). The resulting fibres can also act as a matrix for various light-harvesting components such as dye molecules, nanoparticles, and quantum dots. The addition of these light-harvesting materials allows for various photo-driven processes to occur within the films. This review discusses the process of electrospinning as well as the effect of spinning parameters on resulting fibres. ...
Source: Molecules - June 19, 2023 Category: Chemistry Authors: Reeda Mahmood Tristan Mananquil Rebecca Scenna Emma S. Dennis Judith Castillo-Rodriguez Bryan D. Koivisto Tags: Review Source Type: research

Molecules, Vol. 28, Pages 4854: Biological Activities of Natural Products III
opa The search for natural products that display biological activity is invariably an attractive research area for scientific centers and teams from around the world [...]
Source: Molecules - June 19, 2023 Category: Chemistry Authors: Halina Maria Ekiert Agnieszka Szopa Tags: Editorial Source Type: research

Molecules, Vol. 28, Pages 4838: Biogenic Synthesis of Copper Nanoparticles: A Systematic Review of Their Features and Main Applications
zueta-Mamani Nanotechnology is an innovative field of study that has made significant progress due to its potential versatility and wide range of applications, precisely because of the development of metal nanoparticles such as copper. Nanoparticles are bodies composed of a nanometric cluster of atoms (1–100 nm). Biogenic alternatives have replaced their chemical synthesis due to their environmental friendliness, dependability, sustainability, and low energy demand. This ecofriendly option has medical, pharmaceutical, food, and agricultural applications. When compared to their chemical counterparts, using...
Source: Molecules - June 18, 2023 Category: Chemistry Authors: Cristina M. Luque-Jacobo Andrea L. Cespedes-Loayza Talia S. Echegaray-Ugarte Jacqueline L. Cruz-Loayza Isemar Cruz J úlio Cesar de Carvalho Luis Daniel Goyzueta-Mamani Tags: Systematic Review Source Type: research

Molecules, Vol. 28, Pages 4836: The Effect of Ethanol on Lipid Nanoparticle Stabilization from a Molecular Dynamics Simulation Perspective
In this study, we used molecular dynamics (MD) simulations to investigate the physicochemical effect of ethanol on LNPs and gain a dynamic understanding of its impact on the overall structure and stability of LNPs. Our results demonstrate that ethanol destabilizes LNP structure over time, indicated by increased root mean square deviation (RMSD) values. Changes in the solvent-accessible surface area (SASA), electron density, and radial distribution function (RDF) also suggest that ethanol affects LNP stability. Furthermore, our H-bond profile analysis shows that ethanol penetrates the LNP earlier than water. These findings ...
Source: Molecules - June 17, 2023 Category: Chemistry Authors: Ari Hardianto Zahra Silmi Muscifa Wahyu Widayat Muhammad Yusuf Toto Subroto Tags: Article Source Type: research