Molecules, Vol. 25, Pages 3955: Antibacterial Activity and Mechanism of Ginger Essential Oil against Escherichia coli and Staphylococcus aureus Molecules doi: 10.3390/molecules25173955 Authors: Xin Wang Yi Shen Kiran Thakur Jinzhi Han Jian-Guo Zhang Fei Hu Zhao-Jun Wei Though essential oils exhibit antibacterial activity against food pathogens, their underlying mechanism is understudied. We extracted ginger essential oil (GEO) using supercritical CO2 and steam distillation....
Sun Aug 30, 2020 03:00
Molecules, Vol. 25, Pages 3954: Microplastics in Ecosystems: From Current Trends to Bio-Based Removal Strategies Molecules doi: 10.3390/molecules25173954 Authors: Solange Magalhães Luís Alves Bruno Medronho Anabela Romano Maria da Graça Rasteiro Plastics are widely used due to their excellent properties, inexpensiveness and versatility leading to an exponential consumption growth during the last decades. However, most plastic does not biodegrade in any meaningful sense; it...
Sun Aug 30, 2020 03:00
Molecules, Vol. 25, Pages 3953: Antioxidant Packaging Films Based on Ethylene Vinyl Alcohol Copolymer (EVOH) and Caffeic Acid Molecules doi: 10.3390/molecules25173953 Authors: Francesca Luzi Luigi Torre Debora Puglia The main objective of this research activity was to design and realize active films with tunable food functional properties. In detail, caffeic acid (CA), a polyphenol with high antioxidant effect, was used as active ingredient in poly (vinyl alcohol-co-ethylene) (EVOH)...
Sat Aug 29, 2020 03:00
Molecules, Vol. 25, Pages 3952: Computational Method for Quantitative Comparison of Activity Landscapes on the Basis of Image Data Molecules doi: 10.3390/molecules25173952 Authors: Javed Iqbal Martin Vogt Jürgen Bajorath Activity landscape (AL) models are used for visualizing and interpreting structure–activity relationships (SARs) in compound datasets. Therefore, ALs are designed to present chemical similarity and compound potency information in context. Different two-...
Sat Aug 29, 2020 03:00
Molecules, Vol. 25, Pages 3948: Review of the Synthesis and Anticancer Properties of Pyrazolo[4,3-e][1,2,4]triazine Derivatives Molecules doi: 10.3390/molecules25173948 Authors: Bernat Szymanowska Kciuk Kotwica-Mojzych Mojzych This review focuses on the cytotoxic effect of new synthetic pyrazolo[4,3-e][1,2,4]triazine derivatives against different tumor cell lines. Some annulated pyrazolotriazines i.e., pyrazolo[4,3-e][1,2,4]triazolo[4,3-b][1,2,4]triazines and pyrazolo[4,3-e]tetrazolo[1,5-b][1,2,4]triazine...
Sat Aug 29, 2020 03:00
Molecules, Vol. 25, Pages 3950: Application of QCM in Peptide and Protein-Based Drug Product Development Molecules doi: 10.3390/molecules25173950 Authors: Dorian Migoń Tomasz Wasilewski Dariusz Suchy AT-cut quartz crystals vibrating in the thickness-shear mode (TSM), especially quartz crystal resonators (QCRs), are well known as very efficient mass sensitive systems because of their sensitivity, accuracy, and biofunctionalization capacity. They are highly reliable in the measurement...
Sat Aug 29, 2020 03:00
Molecules, Vol. 25, Pages 3949: Combined Protein- and Ligand-Observed NMR Workflow to Screen Fragment Cocktails against Multiple Proteins: A Case Study Using Bromodomains Molecules doi: 10.3390/molecules25173949 Authors: Jorden A. Johnson Noelle M. Olson Madison J. Tooker Scott K. Bur William C.K. Pomerantz As fragment-based drug discovery has become mainstream, there has been an increase in various screening methodologies. Protein-observed 19F (PrOF) NMR and 1H CPMG NMR...
Sat Aug 29, 2020 03:00
Molecules, Vol. 25, Pages 3951: Characterization of Activated Carbon Paper Electrodes Prepared by Rice Husk-Isolated Cellulose Fibers for Supercapacitor Applications Molecules doi: 10.3390/molecules25173951 Authors: Hong Gun Kim Yong-Sun Kim Lee Ku Kwac Hye Kyoung Shin For the preparation of activated carbon papers (APCs) as supercapacitor electrodes, impurity substances were removed from rice husks, before carbonization and various activation temperature treatments, to optimize...
Sat Aug 29, 2020 03:00
Molecules, Vol. 25, Pages 3946: Biodegradation Behavior of Poly(Butylene Adipate-Co-Terephthalate) (PBAT), Poly(Lactic Acid) (PLA), and Their Blend in Freshwater with Sediment Molecules doi: 10.3390/molecules25173946 Authors: Ye Fu Gang Wu Xinchao Bian Jianbing Zeng Yunxuan Weng Poly(butylene adipate-co-terephthalate) (PBAT) and poly(lactic acid) (PLA) are well-known biodegadable polyesters due to their outstanding performance. The biodegradation behavior of PLA/PBAT blends...
Sat Aug 29, 2020 03:00
Molecules, Vol. 25, Pages 3947: A Liquid Chromatography-High Resolution Mass Spectrometry (LC-HRMS) Method for the Determination of Free Hydroxy Fatty Acids in Cow and Goat Milk Molecules doi: 10.3390/molecules25173947 Authors: Maroula G. Kokotou Christiana Mantzourani Asimina Bourboula Olga G. Mountanea George Kokotos A liquid chromatography–high resolution mass spectrometry (LC-HRMS) method for the direct determination of various saturated hydroxy fatty acids...
Sat Aug 29, 2020 03:00
Molecules, Vol. 25, Pages 3945: Unravelling the Photoprotective Mechanisms of Nature-Inspired Ultraviolet Filters Using Ultrafast Spectroscopy Molecules doi: 10.3390/molecules25173945 Authors: Temitope T. Abiola Abigail L. Whittock Vasilios G. Stavros There are several drawbacks with the current commercially available ultraviolet (UV) filters used in sunscreen formulations, namely deleterious human and ecotoxic effects. As a result of the drawbacks, a current research interest...
Fri Aug 28, 2020 03:00
Molecules, Vol. 25, Pages 3943: Grinding and Fractionation during Distillation Alter Hemp Essential Oil Profile and Its Antimicrobial Activity Molecules doi: 10.3390/molecules25173943 Authors: Valtcho D. Zheljazkov Vladimir Sikora Ivanka B. Semerdjieva Miroslava Kačániová Tess Astatkie Ivayla Dincheva The hypothesis of this study was that we can modify the essential oil (EO) profile of hemp (Cannabis sativa L.) and obtain fractions with differential composition and antimicrobial...
Fri Aug 28, 2020 03:00
Molecules, Vol. 25, Pages 3944: Isolation and Cytotoxic Activity of Phyllocladanes from the Roots of Acacia schaffneri (Leguminosae) Molecules doi: 10.3390/molecules25173944 Authors: José de Jesús Manríquez-Torres Marco Antonio Hernández-Lepe José Román Chávez-Méndez Susana González-Reyes Idanya Rubí Serafín-Higuera Genaro Rodríguez-Uribe Jesús Martín Torres-Valencia In research on natural molecules with cytotoxic activity that can be used for the development of new...
Fri Aug 28, 2020 03:00
Molecules, Vol. 25, Pages 3942: Krill Oil Attenuates Cognitive Impairment by the Regulation of Oxidative Stress and Neuronal Apoptosis in an Amyloid β-Induced Alzheimer’s Disease Mouse Model Molecules doi: 10.3390/molecules25173942 Authors: Ji Hyun Kim Hui Wen Meng Mei Tong He Ji Myung Choi Dongjun Lee Eun Ju Cho In the present study, we investigated the cognitive improvement effects and its mechanisms of krill oil (KO) in Aβ25–35-induced Alzheimer’s...
Fri Aug 28, 2020 03:00
Molecules, Vol. 25, Pages 3941: Scaffold Modifications in Erythromycin Macrolide Antibiotics. A Chemical Minireview Molecules doi: 10.3390/molecules25173941 Authors: Kjell Undheim Clarithromycin and congeners are important antibacterial members of the erythromycin A 14-membered macrocyclic lactone family. The macrolide scaffold consists of a multifunctional core that carries both chemically reactive and non-reactive substituents and sites. Two main approaches are used in the preparation...
Fri Aug 28, 2020 03:00
Molecules, Vol. 25, Pages 3940: The Role of Active-Site Plasticity in Damaged-Nucleotide Recognition by Human Apurinic/Apyrimidinic Endonuclease APE1 Molecules doi: 10.3390/molecules25173940 Authors: Anatoly A. Bulygin Alexandra A. Kuznetsova Yuri N. Vorobjev Olga S. Fedorova Nikita A. Kuznetsov Human apurinic/apyrimidinic (AP) endonuclease APE1 hydrolyzes phosphodiester bonds on the 5′ side of an AP-site, and some damaged nucleotides such as 1,N6-ethenoadenosine...
Fri Aug 28, 2020 03:00
Molecules, Vol. 25, Pages 3939: “On-The-Fly” Calculation of the Vibrational Sum-Frequency Generation Spectrum at the Air-Water Interface Molecules doi: 10.3390/molecules25173939 Authors: Deepak Ojha Thomas D. Kühne In the present work, we provide an electronic structure based method for the “on-the-fly” determination of vibrational sum frequency generation (v-SFG) spectra. The predictive power of this scheme is demonstrated at the air-water interface. While the...
Fri Aug 28, 2020 03:00
Molecules, Vol. 25, Pages 3934: Diarylphosphate as a New Route for Design of Highly Luminescent Ln Complexes Molecules doi: 10.3390/molecules25173934 Authors: Alexey E. Kalugin Mikhail E. Minyaev Lada N. Puntus Ilya V. Taydakov Evgenia A. Varaksina Konstantin A. Lyssenko Ilya E. Nifant'ev Dmitrii M. Roitershtein Organophosphate-chloride complexes [{(2,6-iPr2C6H3-O)2POO}2LnCl(CH3OH)4]·2CH3OH, Ln = Nd (1), Eu (2), Gd (3), and Tb (4) have been obtained and...
Fri Aug 28, 2020 03:00
Molecules, Vol. 25, Pages 3938: Investigation on the Interaction between Cellulosic Paper and Organic Acids Based on Molecular Dynamics Molecules doi: 10.3390/molecules25173938 Authors: Mengzhao Zhu Chao Gu Wenbing Zhu Organic acid is an important factor that accelerates the aging of cellulosic insulation materials. In this study, the interactions between cellulose and five acids, representative of what may be found in an aging transformer, were studied using molecular dynamics....
Fri Aug 28, 2020 03:00
Molecules, Vol. 25, Pages 3937: Bonding Analysis of Compounds with Unusual Coordination of Carbon: Proposed Symmetric Systems with Six-Coordinate Carbon Molecules doi: 10.3390/molecules25173937 Authors: Trindle Altun Bleda The possibility of carbon tetravalence in geometries other than tetrahedral and of carbon hypervalence has been taken seriously since the 1970s. Computational modeling and subsequent experimental validation have established the existence of molecules with...
Fri Aug 28, 2020 03:00
Molecules, Vol. 25, Pages 3936: Biochemical and Computational Approach of Selected Phytocompounds from Tinospora crispa in the Management of COVID-19 Molecules doi: 10.3390/molecules25173936 Authors: Ahmed Rakib Arkajyoti Paul Md. Nazim Uddin Chy Saad Ahmed Sami Sumit Kumar Baral Mohuya Majumder Abu Montakim Tareq Mohammad Nurul Amin Asif Shahriar Md. Zia Uddin Mycal Dutta Trina Ekawati Tallei Talha Bin Emran Jesus Simal-Gandara A pandemic caused...
Fri Aug 28, 2020 03:00
Molecules, Vol. 25, Pages 3935: Fatty Acid Synthase: An Emerging Target in Cancer Molecules doi: 10.3390/molecules25173935 Authors: Chee Wai Fhu Azhar Ali In recent years, lipid metabolism has garnered significant attention as it provides the necessary building blocks required to sustain tumor growth and serves as an alternative fuel source for ATP generation. Fatty acid synthase (FASN) functions as a central regulator of lipid metabolism and plays a critical role in the growth and...
Fri Aug 28, 2020 03:00
Molecules, Vol. 25, Pages 3933: Literature-Wide Association Studies (LWAS) for a Rare Disease: Drug Repurposing for Inflammatory Breast Cancer Molecules doi: 10.3390/molecules25173933 Authors: Xiaojia Ji Chunming Jin Xialan Dong Maria S. Dixon Kevin P. Williams Weifan Zheng Drug repurposing is an effective means for rapid drug discovery. The aim of this study was to develop and validate a computational methodology based on Literature-Wide Association Studies (LWAS) of...
Fri Aug 28, 2020 03:00
Molecules, Vol. 25, Pages 3932: Significantly Elevated Levels of Plasma Nicotinamide, Pyridoxal, and Pyridoxamine Phosphate Levels in Obese Emirati Population: A Cross-Sectional Study Molecules doi: 10.3390/molecules25173932 Authors: Ghada Rashad Ibrahim Iltaf Shah Salah Gariballa Javed Yasin James Barker Syed Salman Ashraf Water-soluble vitamins like B3 (nicotinamide), B6 (pyridoxine), and B9 (folic acid) are of utmost importance in human health and disease, as they are...
Fri Aug 28, 2020 03:00
Molecules, Vol. 25, Pages 3931: Factors Governing the Chemical Stability and NMR Parameters of Uracil Tautomers and Its 5-Halogen Derivatives Molecules doi: 10.3390/molecules25173931 Authors: Kacper Rzepiela Aneta Buczek Teobald Kupka Małgorzata A. Broda We report on the density functional theory (DFT) modelling of structural, energetic and NMR parameters of uracil and its derivatives (5-halogenouracil (5XU), X = F, Cl, Br and I) in vacuum and in water using the polarizable...
Fri Aug 28, 2020 03:00
MTI, Vol. 4, Pages 60: Design and Evaluation of SONIS, a Wearable Biofeedback System for Gait Retraining Multimodal Technologies and Interaction doi: 10.3390/mti4030060 Authors: Sander Biesmans Panos Markopoulos Herein, we introduce SONIS, a wearable system to support gait rehabilitation training after a lower extremity trauma, which combines a sensing sock with a smartphone application. SONIS provides interactive, corrective, real-time feedback combining visual and auditory cues....
Fri Aug 28, 2020 03:00
Nanomaterials, Vol. 10, Pages 1719: Oxygen Reduction Reaction in the Field of Water Environment for Application of Nanomaterials Nanomaterials doi: 10.3390/nano10091719 Authors: Rongkui Su Chuyue Xie Sikpaam Issaka Alhassan Shunhong Huang Runhua Chen Siyuan Xiang Zhenxing Wang Lei Huang Water pollution has caused the ecosystem to be in a state of imbalance for a long time. It has become a major global ecological and environmental problem today. Solving the potential...
Sun Aug 30, 2020 03:00
Nanomaterials, Vol. 10, Pages 1720: Thin-Film PVD Coating Metamaterials Exhibiting Similarities to Natural Processes under Extreme Tribological Conditions Nanomaterials doi: 10.3390/nano10091720 Authors: G. S. Fox-Rabinovich I. S. Gershman S. Veldhuis This paper discusses the surface-engineered nanomaterials (adaptive nano-structured physical vapor deposition (PVD) thin-film coatings) that can effectively perform under severely non-equilibrium tribological conditions. The typical...
Sun Aug 30, 2020 03:00
Nanomaterials, Vol. 10, Pages 1717: Gold Nanoparticles Radio-Sensitize and Reduce Cell Survival in Lewis Lung Carcinoma Nanomaterials doi: 10.3390/nano10091717 Authors: Arvind Pandey Veronica Vighetto Nicola Di Marzio Francesca Ferraro Matteo Hirsch Nicola Ferrante Sankar Mitra Alessandro Grattoni Carly S. Filgueira It has been suggested that particle size plays an important role in determining the genotoxicity of gold nanoparticles (GNPs). The purpose of this...
Sun Aug 30, 2020 03:00
Nanomaterials, Vol. 10, Pages 1718: Effect of Graphene Oxide on Mechanical Properties and Durability of Ultra-High-Performance Concrete Prepared from Recycled Sand Nanomaterials doi: 10.3390/nano10091718 Authors: Hongyan Chu Yu Zhang Fengjuan Wang Taotao Feng Liguo Wang Danqian Wang Ultra-high-performance concrete (UHPC) has been used as an advanced construction material in civil engineering because of its excellent mechanical properties and durability. However, with the...
Sun Aug 30, 2020 03:00
Nanomaterials, Vol. 10, Pages 1716: Chiral Separation of rac-Propylene Oxide on Penicillamine Coated Gold NPs Nanomaterials doi: 10.3390/nano10091716 Authors: Nisha Shukla Zachary Blonder Andrew J. Gellman The surfaces of chemically synthesized spherical gold NPs (Au-NPs) have been modified using chiral L- or D-penicillamine (Pen) in order to impart enantioselective adsorption properties. These chiral Au-NPs have been used to demonstrate enantioselective adsorption of racemic propylene...
Sun Aug 30, 2020 03:00
Nanomaterials, Vol. 10, Pages 1714: Electrospun Nanomaterials: Applications in Food, Environmental Remediation, and Bioengineering Nanomaterials doi: 10.3390/nano10091714 Authors: Falco Mallavia Among the large number of methods to fabricate nanofibers[…]
Sat Aug 29, 2020 03:00
Nanomaterials, Vol. 10, Pages 1713: Flexible Nanocellulose/Lignosulfonates Ion-Conducting Separators for Polymer Electrolyte Fuel Cells Nanomaterials doi: 10.3390/nano10091713 Authors: Vilela Morais Silva Muñoz-Gil Figueiredo Silvestre Freire The utilization of biobased materials for the fabrication of naturally derived ion-exchange membranes is breezing a path to sustainable separators for polymer electrolyte fuel cells (PEFCs). In this investigation, bacterial...
Sat Aug 29, 2020 03:00
Nanomaterials, Vol. 10, Pages 1715: Strained Si0.2Ge0.8/Ge multilayer Stacks Epitaxially Grown on a Low-/high-Temperature Ge Buffer Layer and Selective Wet-Etching of Germanium Nanomaterials doi: 10.3390/nano10091715 Authors: Xie Zhu Zhang Ai Wang Li Du Kong Yin Li Zhao Li Jia Li Radamson With the development of new designs and materials for nano-scale transistors, vertical Gate-All-Around Field Effect Transistors (vGAAFETs) with...
Sat Aug 29, 2020 03:00
Nanomaterials, Vol. 10, Pages 1712: Cyclodextrin Cationic Polymer-Based Nanoassemblies to Manage Inflammation by Intra-Articular Delivery Strategies Nanomaterials doi: 10.3390/nano10091712 Authors: Cordaro Zagami Malanga Venkatesan Alvarez-Lorenzo Cucchiarini Piperno Mazzaglia Injectable nanobioplatforms capable of locally fighting the inflammation in osteoarticular diseases, by reducing the number of administrations and prolonging the therapeutic effect...
Sat Aug 29, 2020 03:00
Nanomaterials, Vol. 10, Pages 1705: Development of a Self-Charging Lithium-Ion Battery Using Perovskite Solar Cells Nanomaterials doi: 10.3390/nano10091705 Authors: Yeongbeom Kim Hyungkee Seo Eunbi Kim Jaekwang Kim Inseok Seo This study demonstrates the use of perovskite solar cells for fabrication of self-charging lithium-ion batteries (LIBs). A LiFePO4 (LFP) cathode and Li4Ti5O12 (LTO) anode were used to fabricate a LIB. The surface morphologies of the LiFePO4 and Li4Ti5O12...
Sat Aug 29, 2020 03:00
Nanomaterials, Vol. 10, Pages 1710: Graphite Felt Modified by Atomic Layer Deposition with TiO2 Nanocoating Exhibits Super-Hydrophilicity, Low Charge-Transform Resistance, and High Electrochemical Activity Nanomaterials doi: 10.3390/nano10091710 Authors: Wen-Jen Lee Yu-Ting Wu Yi-Wei Liao Yen-Ting Liu Graphite felt (GF) is a multi-functional material and is widely used as electrodes of electrochemical devices for energy and environmental applications. However, due to the inherent...
Sat Aug 29, 2020 03:00
Nanomaterials, Vol. 10, Pages 1711: The Scattering of Phonons by Infinitely Long Quantum Dislocations Segments and the Generation of Thermal Transport Anisotropy in a Solid Threaded by Many Parallel Dislocations Nanomaterials doi: 10.3390/nano10091711 Authors: Fernando Lund Bruno Scheihing-Hitschfeld A canonical quantization procedure is applied to the interaction of elastic waves—phonons—with infinitely long dislocations that can oscillate about an equilibrium,...
Sat Aug 29, 2020 03:00
Nanomaterials, Vol. 10, Pages 1709: Emulation of Biological Synapse Characteristics from Cu/AlN/TiN Conductive Bridge Random Access Memory Nanomaterials doi: 10.3390/nano10091709 Authors: Hyojong Cho Sungjun Kim Here, we present the synaptic characteristics of AlN-based conductive bridge random access memory (CBRAM) as a synaptic device for neuromorphic systems. Both non-volatile and volatile memory are observed by simply controlling the strength of the Cu filament inside the AlN...
Sat Aug 29, 2020 03:00
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