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Source: Molecules
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Total 981 results found since Jan 2013.
Molecules, Vol. 27, Pages 6730: Parameter Optimization of Support Vector Machine to Improve the Predictive Performance for Determination of Aflatoxin B1 in Peanuts by Olfactory Visualization Technique
This study proposes a novel method for detection of aflatoxin B1 (AFB1) in peanuts using olfactory visualization technique. First, 12 kinds of chemical dyes were selected to prepare a colorimetric sensor to assemble olfactory visualization system, which was used to collect the odor characteristic information of peanut samples. Then, genetic algorithm (GA) with back propagation neural network (BPNN) as the regressor was used to optimize the color component of the preprocessed sensor feature image. Support vector regression (SVR) quantitative analysis model was constructed by using the optimized combination of characteristic...
Source: Molecules - October 9, 2022 Category: Chemistry Authors: Chengyun Zhu Jihong Deng Hui Jiang Tags: Article Source Type: research
Molecules, Vol. 27, Pages 6679: Eco-Friendly Synthesis of an Oxovanadium(IV)-bis(abietate) Complex with Antimicrobial Action
uze J. Anaissi
The search for less expensive and viable products is always one of the challenges for research development. Commonly, the synthesis of coordination compounds involves expensive ligands, through expensive and low-yield routes, in addition to generating toxic and unusable residues. In this work, the organic ligand used is derived from the resin of a reforestation tree, Pinus elliottii var. elliottii. The synthesis method used Pinus resin and an aqueous solution of vanadium(III) chloride at a temperature of 80 °C. The procedure does not involve organic solvents and does not generate...
Source: Molecules - October 7, 2022 Category: Chemistry Authors: Aline B. Schons Jamille S. Correa Patricia Appelt Daiane Meneguzzi M ário A. A. Cunha Carla Bittencourt Henrique E. Toma Fauze J. Anaissi Tags: Article Source Type: research
Molecules, Vol. 27, Pages 6629: Adult Honeybees and Beeswax as Indicators of Trace Elements Pollution in a Vulnerable Environment: Distribution among Different Apicultural Compartments
Majchrák
Bees in search of diet sources intensively fly within a radius of up to 3 km, encountering nectar, pollen, and water sources which are potentially contaminated. Consequently, their products can provide valuable information about potential pollution. In the current study, 27 macro and trace elements, including the most hazardous ones, were measured in bees, honey, wax, pollen, and larvae, obtained from seven explicitly industrial areas in eastern regions of Slovakia, using a validated ICP-MS method. All the analysed elements were detected at least in one matrix. The detected concentrations of toxic elements, s...
Source: Molecules - October 6, 2022 Category: Chemistry Authors: Effrosyni Zafeiraki Rastislav Sabo Konstantinos M. Kasiotis Kyriaki Machera Lucia Sabov á Tom áš Majchrák Tags: Article Source Type: research
Molecules, Vol. 27, Pages 6614: Electrochemical Properties of a Rhodium(III) Mono-Terpyridyl Complex and Use as a Catalyst for Light-Driven Hydrogen Evolution in Water
´me Fortage
Molecular hydrogen (H2) is considered one of the most promising fuels to decarbonize the industrial and transportation sectors, and its photocatalytic production from molecular catalysts is a research field that is still abounding. The search for new molecular catalysts for H2 production with simple and easily synthesized ligands is still ongoing, and the terpyridine ligand with its particular electronic and coordination properties, is a good candidate to design new catalysts meeting these requirements. Herein, we have isolated the new mono-terpyridyl rhodium complex, [RhIII(tpy)(CH3CN)Cl2](CF3SO3) (Rh-tpy)...
Source: Molecules - October 5, 2022 Category: Chemistry Authors: Fakourou Camara Thomas Gavaggio Baptiste Dautreppe J érôme Chauvin Jacques P écaut Dmitry Aldakov Marie-No ëlle Collomb J érôme Fortage Tags: Article Source Type: research
Molecules, Vol. 27, Pages 6511: QSPR Modeling and Experimental Determination of the Antioxidant Activity of Some Polycyclic Compounds in the Radical-Chain Oxidation Reaction of Organic Substrates
mma Savchenko
The present work addresses the quantitative structure–antioxidant activity relationship in a series of 148 sulfur-containing alkylphenols, natural phenols, chromane, betulonic and betulinic acids, and 20-hydroxyecdysone using GUSAR2019 software. Statistically significant valid models were constructed to predict the parameter logk7, where k7 is the rate constant for the oxidation chain termination by the antioxidant molecule. These results can be used to search for new potentially effective antioxidants in virtual libraries and databases and adequately predict logk7 for test samples. A combin...
Source: Molecules - October 2, 2022 Category: Chemistry Authors: Veronika Khairullina Yuliya Martynova Irina Safarova Gulnaz Sharipova Anatoly Gerchikov Regina Limantseva Rimma Savchenko Tags: Article Source Type: research
Molecules, Vol. 27, Pages 6496: Saccorhiza polyschides & mdash;A Source of Natural Active Ingredients for Greener Skincare Formulations
Molecules, Vol. 27, Pages 6496: Saccorhiza polyschides—A Source of Natural Active Ingredients for Greener Skincare Formulations
Molecules doi: 10.3390/molecules27196496
Authors:
PatrÃcia Susano
Joana Silva
Celso Alves
Alice Martins
Susete Pinteus
Helena Gaspar
Márcia Inês Goettert
Rui Pedrosa
The growing knowledge about the harmful effects caused by some synthetic ingredients present in skincare products has led to an extensive search for natural bioactives. Thus, this study aimed to investigate the dermatological potential of five fractions (F1–F5), obtained by a sequential...
Source: Molecules - October 1, 2022 Category: Chemistry Authors: Patr Ãcia Susano Joana Silva Celso Alves Alice Martins Susete Pinteus Helena Gaspar M árcia Inês Goettert Rui Pedrosa Tags: Article Source Type: research
Molecules, Vol. 27, Pages 6392: Antifungal Agents in Wood Protection & mdash;A Review
Molecules, Vol. 27, Pages 6392: Antifungal Agents in Wood Protection—A Review
Molecules doi: 10.3390/molecules27196392
Authors:
Magdalena Woźniak
The biodegradation of wood and wood products caused by fungi is recognized as one of the most significant problems worldwide. To extend the service life of wood products, wood is treated with preservatives, often with inorganic compounds or synthetic pesticides that have a negative impact on the environment. Therefore, the development of new, environmentally friendly wood preservatives is being carried out in research centers around the world. The search for na...
Source: Molecules - September 27, 2022 Category: Chemistry Authors: Magdalena Wo źniak Tags: Review Source Type: research
Molecules, Vol. 27, Pages 6389: Toxicity Assessment of the Binary Mixtures of Aquatic Organisms Based on Different Hypothetical Descriptors
. Cordeiro
Modern industrialization has led to the creation of a wide range of organic chemicals, especially in the form of multicomponent mixtures, thus making the evaluation of environmental pollution more difficult by normal methods. In this paper, we attempt to use forward stepwise multiple linear regression (MLR) and nonlinear radial basis function neural networks (RBFNN) to establish quantitative structure–activity relationship models (QSARs) to predict the toxicity of 79 binary mixtures of aquatic organisms using different hypothetical descriptors. To search for the proper mixture descriptors, 11 m...
Source: Molecules - September 27, 2022 Category: Chemistry Authors: Meng Ji Lihong Zhang Xuming Zhuang Chunyuan Tian Feng Luan Maria Nat ália D. S. Cordeiro Tags: Article Source Type: research
Molecules, Vol. 27, Pages 6357: Optimization and Identification of Single Mutation in Hemoglobin Variants with 2,2,2 Trifluoroethanol Modified Digestion Method and Nano & minus;LC Coupled MALDI MS/MS
Conclusion: All of the mutations were identified using a bottom−up non−target approach. Therefore, a sensitive, robust and reproducible method was developed to identify single substitution mutations in the Hb variants from the sequence of the entire globin chains. Biological Significance: Over 330,000 infants are born annually with hemoglobinopathies and it is the major cause of morbidity and mortality in early childhood. Hb variants generally arise due to point mutation in the globin chains. There is high sequence homology between normal Hb and Hb variant chains. Due to this high homology betwe...
Source: Molecules - September 26, 2022 Category: Chemistry Authors: Pushpanjali Dasauni Nirpendra Singh Varun Chhabra Manoranjan Mahapatra Renu Saxena Suman Kundu Tags: Article Source Type: research
Molecules, Vol. 27, Pages 6265: Isolation, Molecular Identification and Amino Acid Profiling of Single-Cell-Protein-Producing Phototrophic Bacteria Isolated from Oil-Contaminated Soil Samples
sam O. Elansary
In the current study, soil samples were gathered from different places where petrol and diesel filling stations were located for isolation of photosynthetic bacteria under anaerobic conditions using the paraffin wax-overlay pour plate method with Biebl and Pfennig’s medium. The three isolated strains were named Rhodopseudomonas palustris SMR 001 (Mallapur), Rhodopseudomonas palustris NR MPPR (Nacahram) and Rhodopseudomonas faecalis N Raju MPPR (Karolbagh). The morphologies of the bacteria were examined with a scanning electron microscope (SEM). The phylogenetic relationship between R. palu...
Source: Molecules - September 23, 2022 Category: Chemistry Authors: Raju Nalvothula Surekha Challa Vidyullatha Peddireddy Ramchander Merugu M. P. Pratap Rudra Abed Alataway Ahmed Z. Dewidar Hosam O. Elansary Tags: Article Source Type: research
Molecules, Vol. 27, Pages 6261: Adsorption and Photocatalytic Degradation of Pesticides into Nanocomposites: A Review
This report reviews the use of nanocomposites in pesticide adsorption and photocatalytic degradation from aqueous solutions. A bibliographic search was performed using the ScienceDirect, American Chemical Society (ACS), and Royal Society of Chemistry (RSC) indexes, using Boolean logic and the following descriptors: “pesticide degradation” AND “photocatalysis” AND “nanocomposites”; “nanocomposites” AND “pesticides” AND “adsorption”. The search was limited to ...
Source: Molecules - September 23, 2022 Category: Chemistry Authors: Franciele S. Bruckmann Carlos Schnorr Leandro R. Oviedo Salah Knani Luis F. O. Silva William L. Silva Guilherme L. Dotto Cristiano R. Bohn Rhoden Tags: Review Source Type: research
Molecules, Vol. 27, Pages 6251: Electric Cell-Substrate Impedance Sensing (ECIS) as a Convenient Tool to Assess the Potential of Low Molecular Fraction Derived from Medicinal Fungus Cerrena unicolor in Action on L929 and CT-26 Cell Lines
This study aimed to monitor the pharmacokinetics of different concentrations of substances isolated from the medicinal fungus Cerrena unicolor (ex-LMS) using the ECIS technique. In the study, mouse L929 fibroblasts and colon cancer CT26 cell lines were treated with different concentrations of the active fractions obtained from Cerrena unicolor: C1 = 2.285 (μg/mL); C2 = 22.85 (μg/mL); and C3 = 228.5 (μg/mL). This study demonstrated that the tested preparation from Cerrena unicolor had no considerable effect on the resistance, capacitance, and impedance of L929 fibroblast cells, which was an ...
Source: Molecules - September 22, 2022 Category: Chemistry Authors: Monika Prendecka-Wr óbel Dominika Pigo ń-Zając Magdalena Jaszek Anna Matuszewska Dawid Stefaniuk Grzegorz Opielak Katarzyna Piotrowska Mansur Rahnama-Hezavah Teresa Ma łecka-Massalska Tags: Article Source Type: research
Molecules, Vol. 27, Pages 6178: Analysis of Protein-Protein Interactions for Intermolecular Bond Prediction
Y. Chen
Protein-protein interactions often involve a complex system of intermolecular interactions between residues and atoms at the binding site. A comprehensive exploration of these interactions can help reveal key residues involved in protein-protein recognition that are not obvious using other protein analysis techniques. This paper presents and extends DiffBond, a novel method for identifying and classifying intermolecular bonds while applying standard definitions of bonds in chemical literature to explain protein interactions. DiffBond predicted intermolecular bonds from four protein complexes: Barnase-Barstar, R...
Source: Molecules - September 21, 2022 Category: Chemistry Authors: Justin Z. Tam Talulla Palumbo Julie M. Miwa Brian Y. Chen Tags: Article Source Type: research
Molecules, Vol. 27, Pages 6150: Mycobacterium Time-Series Genome Analysis Identifies AAC2 & prime; as a Potential Drug Target with Naloxone Showing Potential Bait Drug Synergism
This study identifies naloxone as a potential drug candidate for a bait drug synergistic approach against Mycobacterium tuberculosis.
Source: Molecules - September 20, 2022 Category: Chemistry Authors: Vidya Niranjan Akshay Uttarkar Keerthana Murali Swarna Niranjan Jayalatha Gopal Jitendra Kumar Tags: Article Source Type: research
Molecules, Vol. 27, Pages 6147: A Comprehensive Literature Review on Cardioprotective Effects of Bioactive Compounds Present in Fruits of Aristotelia chilensis Stuntz (Maqui)
er
Fuentes
Some fruits and vegetables, rich in bioactive compounds such as polyphenols, flavonoids, and anthocyanins, may inhibit platelet activation pathways and therefore reduce the risk of suffering from CVD when consumed regularly. Aristotelia chilensis Stuntz (Maqui) is a shrub or tree native to Chile with outstanding antioxidant activity, associated with its high content in anthocyanins, polyphenols, and flavonoids. Previous studies reveal different pharmacological properties for this berry, but its cardioprotective potential has been little studied. Despite having an abundant composition, and being rich in bi...
Source: Molecules - September 20, 2022 Category: Chemistry Authors: Rodr Ãguez Trostchansky Vogel Wood Palomo Wehinger Fuentes Tags: Review Source Type: research
