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Total 2868 results found since Jan 2013.

Molecules, Vol. 28, Pages 4477: Challenges for Kinetics Predictions via Neural Network Potentials: A Wilkinson & rsquo;s Catalyst Case
Molecules, Vol. 28, Pages 4477: Challenges for Kinetics Predictions via Neural Network Potentials: A Wilkinson’s Catalyst Case Molecules doi: 10.3390/molecules28114477 Authors: Ruben Staub Philippe Gantzer Yu Harabuchi Satoshi Maeda Alexandre Varnek Ab initio kinetic studies are important to understand and design novel chemical reactions. While the Artificial Force Induced Reaction (AFIR) method provides a convenient and efficient framework for kinetic studies, accurate explorations of reaction path networks incur high computational costs. In this article, we are investigating the applicability of...
Source: Molecules - May 31, 2023 Category: Chemistry Authors: Ruben Staub Philippe Gantzer Yu Harabuchi Satoshi Maeda Alexandre Varnek Tags: Article Source Type: research

Molecules, Vol. 28, Pages 4461: Efficient pH-Responsive Nano-Drug Delivery System Based on Dynamic Boronic Acid/Ester Transformation
i Shuai Chemotherapy is currently one of the most widely used treatments for cancer. However, traditional chemotherapy drugs normally have poor tumor selectivity, leading to insufficient accumulation at the tumor site and high systemic cytotoxicity. To address this issue, we designed and prepared a boronic acid/ester-based pH-responsive nano-drug delivery system that targets the acidic microenvironment of tumors. We synthesized hydrophobic polyesters with multiple pendent phenylboronic acid groups (PBA-PAL) and hydrophilic PEGs terminated with dopamine (mPEG-DA). These two types of polymers formed amphiphilic structure...
Source: Molecules - May 31, 2023 Category: Chemistry Authors: Weijun Chen Wanxuan Xie Guangkuo Zhao Qi Shuai Tags: Article Source Type: research

Molecules, Vol. 28, Pages 4445: Facile Scale-Up of the Flow Synthesis of Silver Nanostructures Based on Norrish Type I Photoinitiators
aiano Silver nanoparticles have become one of the most commercially and industrially relevant nanomaterials of the 21st century, owing to their potent antibacterial properties, as well as their useful catalytic and optical properties. Although many methods have been explored to produce AgNPs, we favor the photochemical approach using photoinitiators to produce AgNPs, owing to the high degree of control over reaction conditions, and the generation of so-called AgNP ‘seeds’ that can be used as-is, or as precursors for other silver nanostructures. In this work, we explore the scale-up of AgNP s...
Source: Molecules - May 30, 2023 Category: Chemistry Authors: Mahzad Yaghmaei Connor R. Bourgonje Juan C. Scaiano Tags: Article Source Type: research

Molecules, Vol. 28, Pages 4444: Comparative Study of Polymer-Grafted BaTiO3 Nanoparticles Synthesized Using Normal ATRP as Well as ATRP and ARGET-ATRP with Sacrificial Initiator with a Focus on Controlling the Polymer Graft Density and Molecular Weight
aj Raghavan Structurally well-defined polymer-grafted nanoparticle hybrids are highly sought after for a variety of applications, such as antifouling, mechanical reinforcement, separations, and sensing. Herein, we report the synthesis of poly(methyl methacrylate) grafted- and poly(styrene) grafted-BaTiO3 nanoparticles using activator regeneration via electron transfer (ARGET ATRP) with a sacrificial initiator, atom transfer radical polymerization (normal ATRP), and ATRP with sacrificial initiator, to understand the role of the polymerization procedure in influencing the structure of nanoparticle hybrids. Irrespective o...
Source: Molecules - May 30, 2023 Category: Chemistry Authors: Ikeoluwa E. Apata Bhausaheb V. Tawade Steven P. Cummings Nihar Pradhan Alamgir Karim Dharmaraj Raghavan Tags: Article Source Type: research

Molecules, Vol. 28, Pages 4442: Analysis of Silver Nanoparticles in Ground Beef by Single Particle Inductively Coupled Plasma Mass Spectrometry (SP-ICP-MS)
lkinson The regulation and characterization of nanomaterials in foods are of great interest due to the potential risks associated with their exposure and the increasing number of applications where they are used within the food industry. One factor limiting the scientifically rigorous regulation of nanoparticles in foods is the lack of standardized procedures for the extraction of nanoparticles (NPs) from complex matrices without alteration of their physico-chemical properties. To this end, we tested and optimized two sample preparation approaches (enzymatic- and alkaline-based hydrolyses) in order to extract 40 nm of ...
Source: Molecules - May 30, 2023 Category: Chemistry Authors: Alexandre Chalifoux Madjid Hadioui Nesrine Amiri Kevin J. Wilkinson Tags: Article Source Type: research

Molecules, Vol. 28, Pages 4406: Development and Evaluation of an FDM Printed Nasal Device for CPZ Solid Nanoparticles
Zoltán Ujhelyi Nasal drug delivery has been a focus of scientific interest for decades. A number of drug delivery systems and devices are available and have been highly successful in providing better and more comfortable therapy. The benefits of nasal drug delivery are not in question. The nasal surface provides an excellent context for the targeted delivery of active substances. In addition to the large nasal surface area and intensive absorption, the active substances delivered through the nose overcome the blood–brain barrier and can be delivered directly to the central nervous system. Formulations fo...
Source: Molecules - May 29, 2023 Category: Chemistry Authors: Thinh To Quoc Krisztina B író Ágota Pető D óra Kósa D ávid Sinka Istv án Lekli Attila Kiss-Szikszai Istv án Budai M ónika Béres Mikl ós Vecsernyés P álma Fehér Ildik ó Bácskay Zolt án Ujhelyi Tags: Article Source Type: research

Molecules, Vol. 28, Pages 4421: New Trends in Supercritical Fluid Technology and Pressurized Liquids for the Extraction and Recovery of Bioactive Compounds from Agro-Industrial and Marine Food Waste
Gallón-Bedoya Growing consumer interest in healthy foods has led to an increased demand for bioactive compounds derived from eco-technologies. This review highlighted two emerging technologies, pressurized liquid extraction (PLE) and supercritical fluid extraction (SFE), which are based on clean processes aimed at recovering bioactive compounds from different food sources. We studied how the different processing conditions provide many advantages and a great opportunity to obtain compounds with antioxidant, antibacterial, antiviral, or antifungal activity from plant matrices and industrial biowaste, especially antioxi...
Source: Molecules - May 29, 2023 Category: Chemistry Authors: Horacio Fraguela-Meissimilly Jos é Miguel Bastías-Monte Claudia Vergara Jaime Ortiz-Viedma Roberto Lemus-Mondaca Marcos Flores Pamela Toledo-Merma Sylvia Alc ázar-Alay Manuela Gall ón-Bedoya Tags: Review Source Type: research

Molecules, Vol. 28, Pages 4417: Adsorption of Different Ionic Types of Polyacrylamide on Montmorillonite Surface: Insight from QCM-D and Molecular Dynamic Simulation
This study investigates the interaction between montmorillonite and polyacrylamide (PAM) with different ionic types using quartz crystal microbalance with dissipation monitoring (QCM-D) and molecular dynamics (MD) simulations. The goal was to understand the effect of ionicity and ionic type on polymer deposition on montmorillonite surfaces. The results of the QCM-D analysis showed that a decrease in pH led to an increase in the adsorption of montmorillonite on the alumina surface. The ranking of adsorption mass on alumina and pre-adsorbed montmorillonite alumina surfaces was found to be cationic polyacrylamide (CPAM) &...
Source: Molecules - May 29, 2023 Category: Chemistry Authors: Xiaomin Ma Xiaosong Sun Ming Chang Qingxia Liu Xianshu Dong Yuping Fan Ruxia Chen Tags: Article Source Type: research

Molecules, Vol. 28, Pages 4413: Chronic Inflammation & rsquo;s Transformation to Cancer: A Nanotherapeutic Paradigm
Molecules, Vol. 28, Pages 4413: Chronic Inflammation’s Transformation to Cancer: A Nanotherapeutic Paradigm Molecules doi: 10.3390/molecules28114413 Authors: Sayed Sartaj Sohrab Riya Raj Amka Nagar Susan Hawthorne Ana Cláudia Paiva-Santos Mohammad Amjad Kamal Mai M. El-Daly Esam I. Azhar Ankur Sharma The body’s normal immune response against any invading pathogen that causes infection in the body results in inflammation. The sudden transformation in inflammation leads to the rise of inflammatory diseases such as chronic inflammatory bowel disease, autoimmune disorders, and c...
Source: Molecules - May 29, 2023 Category: Chemistry Authors: Sayed Sartaj Sohrab Riya Raj Amka Nagar Susan Hawthorne Ana Cl áudia Paiva-Santos Mohammad Amjad Kamal Mai M. El-Daly Esam I. Azhar Ankur Sharma Tags: Review Source Type: research

Molecules, Vol. 28, Pages 4404: Dextran & minus;Cholesterol Carrier Encapsulated Efficient Photosensitizer for the Photodynamic Killing of Cancer Cells
This study indicates that the polysaccharide−based carrier may have potential for cancer−targeting therapy beyond expectations.
Source: Molecules - May 28, 2023 Category: Chemistry Authors: Biru Wu Zhuoheng Gan Shengchang Tao Qiang Wang Yuchen Song Hua Zhong Fang Hu Tags: Article Source Type: research

Molecules, Vol. 28, Pages 4404: Dextran-Cholesterol Carrier Encapsulated Efficient Photosensitizer for the Photodynamic Killing of Cancer Cells
This study indicates that the polysaccharide-based carrier may have potential for cancer-targeting therapy beyond expectations.
Source: Molecules - May 28, 2023 Category: Chemistry Authors: Biru Wu Zhuoheng Gan Shengchang Tao Qiang Wang Yuchen Song Hua Zhong Fang Hu Tags: Article Source Type: research

Molecules, Vol. 28, Pages 4381: Natural Bacterial and Fungal Peptides as a Promising Treatment to Defeat Lung Cancer Cells
This article is a literature review of research on compounds of natural origin that can potentially be used as part of NSCLC therapies.
Source: Molecules - May 27, 2023 Category: Chemistry Authors: Kamila Rybczy ńska-Tkaczyk Anna Grenda Anna Jakubczyk Pawe ł Krawczyk Tags: Review Source Type: research

Molecules, Vol. 28, Pages 4370: Application of Metal-Based Nanomaterials in In Vitro Diagnosis of Tumor Markers: Summary and Prospect
g Lin Cancer, which presents with high incidence and mortality rates, has become a significant health threat worldwide. However, there is currently no effective solution for rapid screening and high-quality treatment of early-stage cancer patients. Metal-based nanoparticles (MNPs), as a new type of compound with stable properties, convenient synthesis, high efficiency, and few adverse reactions, have become highly competitive tools for early cancer diagnosis. Nevertheless, challenges such as the difference between the microenvironment of detected markers and the real-life body fluids remain in achieving widespread clin...
Source: Molecules - May 26, 2023 Category: Chemistry Authors: Xiaobo Yang Shaodian Zhang Nong Lin Tags: Review Source Type: research

Molecules, Vol. 28, Pages 4331: Mechanism and Performance Analysis of Nanoparticle-Polymer Fluid for Enhanced Oil Recovery: A Review
This article also involves the introduction of commonly used nanoparticles, whose unique properties are used to improve the performance of polymers under harsh conditions. The mechanism of nanoparticle improvement on polymer properties is discussed, that is, how the interaction between them improves the viscosity, shear stability, heat-resistance and salt-tolerant performance of the polymer. Nanoparticle-polymer fluids exhibit properties that they cannot exhibit by themselves. The positive effects of nanoparticle-polymer fluids on reducing interfacial tension and improving the wettability of reservoir rock in tertiary oil ...
Source: Molecules - May 25, 2023 Category: Chemistry Authors: Yuanxiu Sun Weijie Zhang Jie Li Ruifang Han Chenghui Lu Tags: Review Source Type: research

Molecules, Vol. 28, Pages 4328: A Simple Method for Synthesis of Chitosan Nanoparticles with Ionic Gelation and Homogenization
In this study we aimed to synthesize sub-100 nm CNPs as a precursor of new biopolymer-based virus surrogates for water applications. We present a simple yet efficient synthesis procedure for obtaining high yield, monodisperse CNPs with size 68–77 nm. The CNPs were synthesized by ionic gelation using low molecular weight chitosan (deacetylation 75–85%) and tripolyphosphate as crosslinker, under rigorous homogenization to decrease size and increase uniformity, and purified by passing through 0.1 μm polyethersulfone syringe filters. The CNPs were characterized using dynamic light scatter...
Source: Molecules - May 25, 2023 Category: Chemistry Authors: Nicolas Van Bavel Travis Issler Liping Pang Max Anikovskiy Elmar J. Prenner Tags: Article Source Type: research