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1
Subramanian, Parthasarathi. "Mucoadhesive Delivery System: A Smart Way to Improve Bioavailability of Nutraceuticals." Foods 10, no. 6 (June 11, 2021): 1362. http://dx.doi.org/10.3390/foods10061362.
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The conventional oral administration of many nutraceuticals exhibits poor oral bioavailability due to the harsh gastric conditions and first-pass metabolism. Oral mucosa has been recognized as a potential site for the delivery of therapeutic compounds. The mucoadhesive formulation can adhere to the mucosal membrane through various interaction mechanisms and enhance the retention and permeability of bioactive compounds. Absorption of bioactive compounds from the mucosa can improve bioavailability, as this route bypasses the hepatic first-pass metabolism and transit through the gastrointestinal tract. The mucosal administration is convenient, simple to access, and reported for increasing the bioactive concentration in plasma. Many mucoadhesive polymers, emulsifiers, thickeners used for the pharmaceutical formulation are accepted in the food sector. Introducing mucoadhesive formulations specific to the nutraceutical sector will be a game-changer as we are still looking for different ways to improve the bioavailability of many bioactive compounds. This article describes the overview of buccal mucosa, the concept of mucoadhesion and related theories, and different techniques of mucoadhesive formulations. Finally, the classification of mucoadhesive polymers and the mucoadhesive systems designed for the effective delivery of bioactive compounds are presented.
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Wang, Zenghui, Dongmei Wang, and Linfang Huang. "Analysis of the Correlation between Commodity Grade and Quality ofAngelica sinensisby Determination of Active Compounds Using Ultraperformance Liquid Chromatography Coupled with Chemometrics." Evidence-Based Complementary and Alternative Medicine 2014 (2014): 1–9. http://dx.doi.org/10.1155/2014/143286.
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The contents of ferulic acid, senkyunolide A, butylidenephthalide, ligustilide, and n-butylphthalide were determined by UPLC analytical method; the correlation among the grade, average weight, and content was explored by correlation analysis and analysis of variance (ANOVA); the different commercial grades with average weight and content were revealed by principal component analysis (PCA) and then rationality analysis grade classification ofA. sinensis. The results showed that various commercial grades can be distinguished by PCA analysis. And there was significant negative correlation between the commodity grades and average weight, commodity, and the content of bioactive compounds, while the content of senkyunolide A had significant negative correlation with commodity grades (P<0.01). Average weight had no correlation with chemicals compounds. Additionally, there was significant positive correlation among the bioactive compounds (content of ferulic acid and phthalides) of different grades ofA. sinensis. The content of senkyunolide A, butylidenephthalide, and ligustilide had significant positive correlation with the content of ferulic acid. The content of ligustilide and butylidenephthalide had significant positive correlation with the content of senkyunolide A. The content of ligustilide had significant positive correlation with the content of butylidenephthalide. The basis of grades classification is related with the difference levels of the bioactive compounds.
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Puwein, Arcadius, and Shiny C. Thomas. "An Overview of Paris polyphylla, a Highly Vulnerable Medicinal Herb of Eastern Himalayan Region for Sustainable Exploitation." Natural Products Journal 10, no. 1 (February 3, 2020): 3–14. http://dx.doi.org/10.2174/2210315508666180518081208.
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Background: Paris polyphylla has been traditionally used in China, India and Nepal to relieve various ailments such as antidote for snake bites, insect poison, relieving wounds, sore throat, etc. P. polyphylla like many plants in nature contains numerous potential bioactive compounds. Such bioactive compounds of the herb that have significant biological activities such as anticancer, antibacterial, antifungal and antiviral need to be validated and augmented with many assays. Objective: The objective of this paper is to compile the major research works of the herb and updates information on its developments and approaches that have been rapidly taking place in recent years, so that further novel research can be envisaged. Methods: The published reviews act as the first catalyst and initiator to delve on the studies done so far about this medicinal herb. The research about the plant such as classification, micropropagation, phytochemisty, and bioactivity was investigated from papers that were reported from index journals Results: New compounds such as paristenosides A and B are being added to the existing known compounds. There are new high-throughput approaches in the classification of the plant and micropropagation. The traditional uses of the herb are being validated through different bioactivity assays. Conclusion: The continuous research that is being carried out on this herb implies that the depth of knowledge about the plant is gradually consolidated and the mechanism of the bioactive compounds derived is slowly comprehended.
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Valdés-Jiménez, Alejandro, Carlos Peña-Varas, Paola Borrego-Muñoz, Lily Arrue, Melissa Alegría-Arcos, Hussam Nour-Eldin, Ingo Dreyer, Gabriel Nuñez-Vivanco, and David Ramírez. "PSC-db: A Structured and Searchable 3D-Database for Plant Secondary Compounds." Molecules 26, no. 4 (February 20, 2021): 1124. http://dx.doi.org/10.3390/molecules26041124.
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Plants synthesize a large number of natural products, many of which are bioactive and have practical values as well as commercial potential. To explore this vast structural diversity, we present PSC-db, a unique plant metabolite database aimed to categorize the diverse phytochemical space by providing 3D-structural information along with physicochemical and pharmaceutical properties of the most relevant natural products. PSC-db may be utilized, for example, in qualitative estimation of biological activities (Quantitative Structure-Activity Relationship, QSAR) or massive docking campaigns to identify new bioactive compounds, as well as potential binding sites in target proteins. PSC-db has been implemented using the open-source PostgreSQL database platform where all compounds with their complementary and calculated information (classification, redundant names, unique IDs, physicochemical properties, etc.) were hierarchically organized. The source organism for each compound, as well as its biological activities against protein targets, cell lines and different organism were also included. PSC-db is freely available for public use and is hosted at the Universidad de Talca.
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Smusz, Sabina, Rafał Kurczab, and Andrzej J. Bojarski. "A multidimensional analysis of machine learning methods performance in the classification of bioactive compounds." Chemometrics and Intelligent Laboratory Systems 128 (October 2013): 89–100. http://dx.doi.org/10.1016/j.chemolab.2013.08.003.
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Berg, Ellen L., Jian Yang, and Mark A. Polokoff. "Building Predictive Models for Mechanism-of-Action Classification from Phenotypic Assay Data Sets." Journal of Biomolecular Screening 18, no. 10 (October 2, 2013): 1260–69. http://dx.doi.org/10.1177/1087057113505324.
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Compound mechanism-of-action information can be critical for drug development decisions but is often challenging for phenotypic drug discovery programs. One concern is that compounds selected by phenotypic screening will have a previously known but undesirable target mechanism. Here we describe a useful method for assigning mechanism class to compounds and bioactive agents using an 84-feature signature from a panel of primary human cell systems (BioMAP systems). For this approach, a reference data set of well-characterized compounds was used to develop predictive models for 28 mechanism classes using support vector machines. These mechanism classes encompass safety and efficacy-related mechanisms, include both target-specific and pathway-based classes, and cover the most common mechanisms identified in phenotypic screens, such as inhibitors of mitochondrial and microtubule function, histone deacetylase, and cAMP elevators. Here we describe the performance and the application of these predictive models in a decision scheme for triaging phenotypic screening hits using a previously published data set of 309 environmental chemicals tested as part of the Environmental Protection Agency’s ToxCast program. By providing quantified membership in specific mechanism classes, this approach is suitable for identification of off-target toxicity mechanisms as well as enabling target deconvolution of phenotypic drug discovery hits.
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Gakuubi, Martin Muthee, Madhaiyan Munusamy, Zhao-Xun Liang, and Siew Bee Ng. "Fungal Endophytes: A Promising Frontier for Discovery of Novel Bioactive Compounds." Journal of Fungi 7, no. 10 (September 22, 2021): 786. http://dx.doi.org/10.3390/jof7100786.
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For years, fungi have served as repositories of bioactive secondary metabolites that form the backbone of many existing drugs. With the global rise in infections associated with antimicrobial resistance, in addition to the growing burden of non-communicable disease, such as cancer, diabetes and cardiovascular ailments, the demand for new drugs that can provide an improved therapeutic outcome has become the utmost priority. The exploration of microbes from understudied and specialized niches is one of the promising ways of discovering promising lead molecules for drug discovery. In recent years, a special class of plant-associated fungi, namely, fungal endophytes, have emerged as an important source of bioactive compounds with unique chemistry and interesting biological activities. The present review focuses on endophytic fungi and their classification, rationale for selection and prioritization of host plants for fungal isolation and examples of strategies that have been adopted to induce the activation of cryptic biosynthetic gene clusters to enhance the biosynthetic potential of fungal endophytes.
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Xu, Mingyuan, Yingwei Wang, Qianbo Wang, Shenglei Guo, Yang Liu, Jia Liu, Zhonghua Tang, and Zhenyue Wang. "Targeted Development-Dependent Metabolomics Profiling of Bioactive Compounds in Acanthopanax senticosus by UPLC-ESI-MS." Natural Product Communications 15, no. 4 (April 2020): 1934578X2091055. http://dx.doi.org/10.1177/1934578x20910553.
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An ultra-performance liquid chromatography-electrospray ionization-mass spectrometry targeted metabolomics strategy was applied to analyze protocatechuate, syringin, eleutheroside E, isofraxidin, hyperoside, kaempferol, and oleanolic acid, the active compounds in 3-year-old, 5-year-old, and 9-year-old Acanthopanax senticosus. Then, targeted metabolomics was conducted with 3 growth year plants to identify 19 phenolic metabolites related to the above-mentioned active compounds, including 9 C6C3C6-type, 6 C6C3-type, and 4 C6C1-type. Multivariate statistical analysis was applied to the bioactive metabolite data, and targeted metabolic profiling was used for marker compound classification and characterization. The results showed that 7 active compounds in the roots and stems in the 3 growth year plants differed. The principal component “Q” values showed that the total contents of 7 active compounds in 5-year-old roots and stems were higher than in other growth years. Results of targeted metabolomics profiling of 19 phenolic metabolites showed that the C6C1-type compounds accumulated in 9-year-old plants, the C6C3-type in 3-year-old plants, and the C6C3C6-type in 5-year-old plants. The stems had the greatest accumulations of the phenolic metabolites. C6C1 and C6C3-type metabolites are the most abundant in both roots and stems. In conclusion, the active compounds and pharmacological effects of A. senticosus in different growth years are different. The best harvest age for A. senticosus roots and stems was 5 years. The accumulation of 19 phenolic metabolites in different growth years also showed significant differences.
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Rapa, Mattia, Salvatore Ciano, Roberto Ruggieri, and Giuliana Vinci. "Bioactive compounds in cherry tomatoes (Solanum Lycopersicum var. Cerasiforme): Cultivation techniques classification by multivariate analysis." Food Chemistry 355 (September 2021): 129630. http://dx.doi.org/10.1016/j.foodchem.2021.129630.
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Truzzi, Francesca, Camilla Tibaldi, Yanxin Zhang, Giovanni Dinelli, and Eros D′Amen. "An Overview on Dietary Polyphenols and Their Biopharmaceutical Classification System (BCS)." International Journal of Molecular Sciences 22, no. 11 (May 24, 2021): 5514. http://dx.doi.org/10.3390/ijms22115514.
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Polyphenols are natural organic compounds produced by plants, acting as antioxidants by reacting with ROS. These compounds are widely consumed in daily diet and many studies report several benefits to human health thanks to their bioavailability in humans. However, the digestion process of phenolic compounds is still not completely clear. Moreover, bioavailability is dependent on the metabolic phase of these compounds. The LogP value can be managed as a simplified measure of the lipophilicity of a substance ingested within the human body, which affects resultant absorption. The biopharmaceutical classification system (BCS), a method used to classify drugs intended for gastrointestinal absorption, correlates the solubility and permeability of the drug with both the rate and extent of oral absorption. BCS may be helpful to measure the bioactive constituents of foods, such as polyphenols, in order to understand their nutraceutical potential. There are many literature studies that focus on permeability, absorption, and bioavailability of polyphenols and their resultant metabolic byproducts, but there is still confusion about their respective LogP values and BCS classification. This review will provide an overview of the information regarding 10 dietarypolyphenols (ferulic acid, chlorogenic acid, rutin, quercetin, apigenin, cirsimaritin, daidzein, resveratrol, ellagic acid, and curcumin) and their association with the BCS classification.
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Yu, Hyunjong, Jun-Young Park, Chang Woo Kwon, Sung-Chul Hong, Kyung-Min Park, and Pahn-Shick Chang. "An Overview of Nanotechnology in Food Science: Preparative Methods, Practical Applications, and Safety." Journal of Chemistry 2018 (October 29, 2018): 1–10. http://dx.doi.org/10.1155/2018/5427978.
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As the researches to utilize nanotechnology in food science are advanced, applications of nanotechnology in various fields of the food industry have increased. Nanotechnology can be applied to the food industry for production, processing, storage, and quality control of foods. Nanomaterials, unlike conventional microscale materials, having novel characteristics can improve sensory quality of foods by imparting novel texture, color, and appearance. Nanotechnology has been used to design nanosensors for detection of harmful components in foods and a smart packaging system enabling to recognize food contamination very rapidly and sensitively. Nanoencapsulation is the most significant technology in food science, especially for bioactive compounds and flavors. Targeted delivery systems designed with nanoencapsulation can enhance bioavailability of bioactive compounds after oral administration. In addition, nanoencapsulation enables to control the release of flavors at the desired time and to protect the degradation of flavors during processing and storage. In this review, current applications of nanotechnology in food science including flavor control, enhancement of bioavailability of bioactive compounds, and detection of deleterious substances in foods are presented. Furthermore, this article overviews classification, preparative methods, and safety issues of nanomaterials for food science. This review will be of help to provide comprehensive information for newcomers utilizing nanotechnology to the food sector.
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Ciccoritti, Roberto, Giovanna Terracciano, Alessandro Cammerata, Daniela Sgrulletta, Viviana Del Frate, Laura Gazza, and Francesca Nocente. "Hydrothermal grain pre-processing and ultra-fine milling for the production of durum wheat flour fractions with high nutritional value." Food Science and Technology International 24, no. 3 (November 29, 2017): 242–50. http://dx.doi.org/10.1177/1082013217745199.
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This work describes a process for producing durum wheat flour fractions with high potential nutritional value using grain pre-milling hydrothermal treatment and ultra-fine grinding (micronization), coupled with air classification. The difference of bioactive value of the flour fractions in relation to dietary fibre and phenolic compounds was monitored on four durum wheat cultivars by analysing total arabinoxylans, water extractable arabinoxylans and 5- n-alkylresorcinols. The extractability of the analysed compounds was most significantly affected by hydrothermal treatment. On average, the hydrothermally treated kernels compared with the untreated ones presented a marked increase of water extractable arabinoxylans and alkylresorcinols (about 25 and 48%, respectively), whereas slightly lower total arabinoxylans content (about 9%) was detected. The air classification applied on micronized kernels produced two flour fractions, coarse and fine, with the last showing, irrespective of the hydrothermal treatment, an increment of alkylresorcinols (24 and 22% in untreated and treated samples) and of total arabinoxylans (13 and 20% in untreated and treated samples) in comparison with the coarse one. The fine fraction (particles ≤ 120 µm), resulting richer in bioactive compounds, provides an interesting raw material to enrich traditional semolina in which, due to the removal of the external layers, the losses of total arabinoxylans and of alkylresorcinols were more than 60 and 90% alkylresorcinols, respectively, if compared with whole wheat grain.
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Verardo, Vito, Ana Maria Gómez-Caravaca, Maria Cristina Messia, Emanuele Marconi, and Maria Fiorenza Caboni. "Development of Functional Spaghetti Enriched in Bioactive Compounds Using Barley Coarse Fraction Obtained by Air Classification." Journal of Agricultural and Food Chemistry 59, no. 17 (September 14, 2011): 9127–34. http://dx.doi.org/10.1021/jf202804v.
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Serdaroğlu, Meltem, Burcu Öztürk, and Ayşe Kara. "An Overview of Food Emulsions: Description, Classification and Recent Potential Applications." Turkish Journal of Agriculture - Food Science and Technology 3, no. 6 (March 24, 2015): 430. http://dx.doi.org/10.24925/turjaf.v3i6.430-438.336.
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Emulsions take place partially or completely in the structures of many natural and processed foods or some foods are already emulsified in certain stages of production. In general “emulsion” is described as a structure created through the dispersion of one of two immiscible liquids within the other one in form of little droplets. Many terms are available to describe different emulsion types and it is very important to define and clarify these terms like “macro emulsion”, “nanoemulsion” and “multiple emulsion”. Nanoemulsions become increasingly important in food industry as an innovative approach in carrying functional agents. Application potential of multiple emulsions (W/O/W) is also stated to be very high in food industry. The two main strategic purposes of utilization of multiple emulsions in food applications are to encapsulate various aromas, bioactive compounds or sensitive food compounds and to allow the production of the low-fat products. This review provides an overview to the general terms of emulsion types, the role of various emulsifying agents, and the application potential of emulsions in food industry.
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Alves, Danielle da Nóbrega, Alana Rodrigues Ferreira, Allana Brunna Sucupira Duarte, Ana Karoline Vieira Melo, Damião Pergentino de Sousa, and Ricardo Dias de Castro. "Breakpoints for the Classification of Anti-Candida Compounds in Antifungal Screening." BioMed Research International 2021 (April 6, 2021): 1–8. http://dx.doi.org/10.1155/2021/6653311.
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Introduction. The absence of a standardized classification scheme for the antifungal potency of compounds screened against Candida species may hinder the study of new drugs. This systematic review proposes a scheme of interpretative breakpoints for the minimum inhibitory concentration (MIC) of bioactive compounds against Candida species in in vitro tests. Materials and Methods. A literature search was conducted in the PubMed, Scopus, Web of Science, Lilacs, and SciFinder databases for the period from January 2015 to April 2020. The following inclusion criterion was used: organic compounds tested by the microdilution technique according to the Clinical and Laboratory Standards Institute protocol against reference strains of the genus Candida. A total of 545 articles were retrieved after removing duplicates. Of these, 106 articles were selected after applying the exclusion criteria and were evaluated according to the number of synthesized molecules and their chemical classes, the type of strain (reference or clinical) used in the antifungal test, the Candida species, and the MIC (in μg/mL) used. Results. The analysis was performed based on the median, quartiles (25% and 75%), maximum, and minimum values of four groups: all strains, ATCC strains, C. albicans strains, and C. albicans ATCC strains. The following breakpoints were proposed to define the categories: MIC < 3.515 μ g / mL (very strong bioactivity); 3.516-25 μg/mL (strong bioactivity); 26-100 μg/mL (moderate bioactivity); 101-500 μg/mL (weak bioactivity); 500-2000 μg/mL (very weak bioactivity); and >2000 μg/mL (no bioactivity). Conclusions. A classification scheme of the antifungal potency of compounds against Candida species is proposed that can be used to identify the antifungal potential of new drug candidates.
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Núñez, Nerea, Oscar Vidal-Casanella, Sonia Sentellas, Javier Saurina, and Oscar Núñez. "Characterization, Classification and Authentication of Turmeric and Curry Samples by Targeted LC-HRMS Polyphenolic and Curcuminoid Profiling and Chemometrics." Molecules 25, no. 12 (June 26, 2020): 2942. http://dx.doi.org/10.3390/molecules25122942.
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The importance of monitoring bioactive substances as food features to address sample classification and authentication is increasing. In this work, targeted liquid chromatography coupled to high-resolution mass spectrometry (LC-HRMS) polyphenolic and curcuminoid profiles were evaluated as chemical descriptors to deal with the characterization and classification of turmeric and curry samples. The profiles corresponding to bioactive substances were obtained by TraceFinderTM software using accurate mass databases with 53 and 24 polyphenolic and curcuminoid related compounds, respectively. For that purpose, 21 turmeric and 9 curry samples commercially available were analyzed in triplicate by a simple liquid–solid extraction procedure using dimethyl sulfoxide as extracting solvent. The obtained results demonstrate that the proposed profiles were excellent chemical descriptors for sample characterization and classification by principal component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA), achieving 100% classification rates. Curcuminoids and some specific phenolic acids such as trans-cinnamic, ferulic and sinapic acids, helped on the discrimination of turmeric samples; polyphenols, in general, were responsible for the curry sample distinction. Besides, the combination of both polyphenolic and curcuminoid profiles was necessary for the simultaneous characterization and classification of turmeric and curry samples. Discrimination among turmeric species such as Curcuma longa vs. Curcuma zedoaria, as well as among different Curcuma longa varieties (Alleppey, Madras and Erode) was also accomplished.
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Câmara, José S., Bianca R. Albuquerque, Joselin Aguiar, Rúbia C. G. Corrêa, João L. Gonçalves, Daniel Granato, Jorge A. M. Pereira, Lillian Barros, and Isabel C. F. R. Ferreira. "Food Bioactive Compounds and Emerging Techniques for Their Extraction: Polyphenols as a Case Study." Foods 10, no. 1 (December 24, 2020): 37. http://dx.doi.org/10.3390/foods10010037.
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Experimental studies have provided convincing evidence that food bioactive compounds (FBCs) have a positive biological impact on human health, exerting protective effects against non-communicable diseases (NCD) including cancer and cardiovascular (CVDs), metabolic, and neurodegenerative disorders (NDDs). These benefits have been associated with the presence of secondary metabolites, namely polyphenols, glucosinolates, carotenoids, terpenoids, alkaloids, saponins, vitamins, and fibres, among others, derived from their antioxidant, antiatherogenic, anti-inflammatory, antimicrobial, antithrombotic, cardioprotective, and vasodilator properties. Polyphenols as one of the most abundant classes of bioactive compounds present in plant-based foods emerge as a promising approach for the development of efficacious preventive agents against NCDs with reduced side effects. The aim of this review is to present comprehensive and deep insights into the potential of polyphenols, from their chemical structure classification and biosynthesis to preventive effects on NCDs, namely cancer, CVDs, and NDDS. The challenge of polyphenols bioavailability and bioaccessibility will be explored in addition to useful industrial and environmental applications. Advanced and emerging extraction techniques will be highlighted and the high-resolution analytical techniques used for FBCs characterization, identification, and quantification will be considered.
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Ott, Karl-Heinz, Nelly Aranı́bar, Bijay Singh, and Gerald W. Stockton. "Metabonomics classifies pathways affected by bioactive compounds. Artificial neural network classification of NMR spectra of plant extracts." Phytochemistry 62, no. 6 (March 2003): 971–85. http://dx.doi.org/10.1016/s0031-9422(02)00717-3.
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Saide, Assunta, Sara Damiano, Roberto Ciarcia, and Chiara Lauritano. "Promising Activities of Marine Natural Products against Hematopoietic Malignancies." Biomedicines 9, no. 6 (June 5, 2021): 645. http://dx.doi.org/10.3390/biomedicines9060645.
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According to the WHO classification of tumors, more than 150 typologies of hematopoietic and lymphoid tumors exist, and most of them remain incurable diseases that require innovative approaches to improve therapeutic outcome and avoid side effects. Marine organisms represent a reservoir of novel bioactive metabolites, but they are still less studied compared to their terrestrial counterparts. This review is focused on marine natural products with anticancer activity against hematological tumors, highlighting recent advances and possible perspectives. Until now, there are five commercially available marine-derived compounds for the treatment of various hematopoietic cancers (e.g., leukemia and lymphoma), two molecules in clinical trials, and series of compounds and/or extracts from marine micro- and macroorganisms which have shown promising properties. In addition, the mechanisms of action of several active compounds and extracts are still unknown and require further study. The continuous upgrading of omics technologies has also allowed identifying enzymes with possible bioactivity (e.g., l-asparaginase is currently used for the treatment of leukemia) or the enzymes involved in the synthesis of bioactive secondary metabolites which can be the target of heterologous expression and genetic engineering.
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Maltarollo, Vinicius Gonçalves. "Classification of Staphylococcus Aureus FabI Inhibitors by Machine Learning Techniques." International Journal of Quantitative Structure-Property Relationships 4, no. 4 (October 2019): 1–14. http://dx.doi.org/10.4018/ijqspr.2019100101.
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Enoyl-acyl carrier protein reductase (FabI) is a key enzyme in the fatty acid metabolism of gram-positive bacteria and is considered a potential target for new antibacterial drugs development. Indeed, triclosan is a widely employed antibacterial and AFN-1252 is currently under phase-II clinical trials, both are known as FabI inhibitors. Nowadays, there is an urgent need for new drug discovery due to increasing antibacterial resistance. In the present study, classification models using machine learning techniques were generated to distinguish SaFabI inhibitors from non-inhibitors successfully (e.g., Mathews correlation coefficient values equal to 0.837 and 0.789 calculated with internal and external validations). The interpretation of a selected model indicates that larger compounds, number of N atoms and the distance between central amide and naphthyridinone ring are important to biological activity, corroborating previous studies. Therefore, these obtained information and generated models can be useful for design/discovery of novel bioactive ligands as potential antibacterial agents.
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Okoli, Bamidele Joseph, and Johannes Sekomeng Modise. "New Pharmacophore from the Stem Bark Fractions of Acacia decurrens (Willd), an Invasive South Africa Tree." Journal of Applied Chemistry 2017 (August 2, 2017): 1–12. http://dx.doi.org/10.1155/2017/1815278.
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The tolerance of Acacia decurrens, an invasive species, was exploited pharmacologically in this study. Phytochemical screening revealed important secondary metabolites. Importantly, the assay shows that ethyl acetate and methanol fractions are sources of phytochemicals compared to the hexane and chloroform fractions. A bioassay-guided in vitro assay of the extracts led to the eventual isolation of four bioactive compounds by column chromatography, identification, and characterisation with the aid of GCMS, UV-Vis, FTIR, and NMR. The antimicrobial screening by disc diffusion assay revealed 22.2%, 44.4%, 66.7%, and 77.8% microbial inhibition by 2-methyl-octahydro-indene-4-carboxylic acid (AD1), 6-methyldecahydro-1H-phenanthren-9-one (AD2), 8-hydroxytetradecahydro-chrysene-1-carb aldehyde (AD3), and 8,9-dihydroxy-7-(2-hydroxy-ethyl)-9,9a-hexahydro-1H,3H-2-thia-5a-aza cyclopenta[b]anthracen-6-one (AD4), respectively. Compounds AD3 and AD4 are the most potent antibacterial compounds against Gram-positive bacteria with MIC 12.5–6.25 μg/ml. Antioxidant study of the compounds assayed with DPPH and ABTS•+ revealed that compound (AD4) is the most efficient DPPH radical scavenger with IC50 30.07 ± 0.31 and ABTS•+ scavenging activity of 4363.2 ± 452.4 μmol of TE/gDW. This provides scientific information on four pharmacophores with phyto-antioxidants and antimicrobial potential, despite the classification of A. decurrens as a Category 2 invasive plant by the National Water Act.
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Huang, Yuan-Yuan, Lu Chen, Guo-Xu Ma, Xu-Dong Xu, Xue-Gong Jia, Fu-Sheng Deng, Xue-Jian Li, and Jing-Quan Yuan. "A Review on Phytochemicals of the Genus Maytenus and Their Bioactive Studies." Molecules 26, no. 15 (July 28, 2021): 4563. http://dx.doi.org/10.3390/molecules26154563.
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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. The chemical research includes its structural classification into triterpenoids, sesquiterpenes and alkaloids, along with several chemical synthesis methods of maytansine or maytansine fragments. The biological activity research includes activities, such as anti-tumor, anti-bacterial and anti-inflammatory activities, as well as HIV inhibition, which can provide a theoretical basis for the better development and utilization of the Maytenus.
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Das, Bodhaditya, Jadab Rajkonwar, A. Jagannath, Prasanta Kumar Raul, and Utsab Deb. "Infra Red Spectra of Different Species of Cultivated Oyster Mushrooms Possible Tool for Identifying Bioactive Compounds and Establishing Taxonomic Linkage." Defence Life Science Journal 5, no. 2 (April 8, 2020): 118–24. http://dx.doi.org/10.14429/dlsj.5.15562.
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Mushrooms are macrofungi that serve as a vegetarian source of protein along with various bio-active molecules of primary health importance. The activity of the bio-active molecules range from antioxidant, immunomodulation, hepatoprotection. Cultivated oyster mushrooms are also rich in these components which may be estimated quantitatively by skill intensive ‘destructive’ chemical techniques. Infra Red spectroscopy provides a non-destructive user friendly technique to quickly assess the presence of bio-active compounds in mushroom species to be used as a quality control measure as this non-destructive tool can be used to segregate mushroom harvest according to availability of bioactive compounds. IR spectra based strain classification and taxa delimitation of mushroom samples are also attempted vis a vis DNA sequence based phylogeny analysis of the same, but no correlation is observed between the two types of phylogeny analysis.
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Rocchetti, Gabriele, Luigi Lucini, Giandomenico Corrado, Giuseppe Colla, Mariateresa Cardarelli, Stefania De Pascale, and Youssef Rouphael. "Phytochemical Profile, Mineral Content, and Bioactive Compounds in Leaves of Seed-Propagated Artichoke Hybrid Cultivars." Molecules 25, no. 17 (August 20, 2020): 3795. http://dx.doi.org/10.3390/molecules25173795.
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The globe artichoke (Cynara cardunculus L. subsp. Scolymus (L.) Hegi) is a multi-year species rich in various classes of phytochemicals with known nutritional and pharmacological properties, such as polyphenols, sesquiterpene lactones, and terpenoids. Over the last decade, hybrids cultivars are transforming the artichoke market for their higher uniformity and stability over the traditional landraces, further increasing the potential of the artichoke as a source of commercial extracts and bioactive molecules. Our aim was to investigate the mineral and phytochemical profiles of leaves from seven seed-propagated hybrids by using an untargeted metabolomic approach based on ultra-high-pressure liquid chromatography coupled with quadrupole-time-of-flight mass spectrometry. Metabolomics identified several compounds in the tested varieties, namely 98 polyphenols, 123 sesquiterpene lactones, and 221 other metabolites. The phenolic content ranged from 3.01 mg Eq./g fw (for ‘Opera’) to 4.71 mg Eq./g fw (for ‘Opal’). Sesquiterpene lactones were, on average, 2.11 mg Eq./g fw. Multivariate statistics (HCA, PCA and OPLS-DA) highlighted the main metabolomics differences among cultivars, which weakly correlated with their agronomic classification. The seven cultivars showed distinctive metabolomics profiles, with ‘Opal’ and ‘Istar’ being the most valuable hybrids. The 3-hydroxyphenyl-valeric acid (a medium-chain fatty acid) and the 6-Gingesulfonic acid (a methoxyphenol) were the most discriminant markers. Our findings illustrated the quantitative and qualitative variation of several classes of phytochemicals in seed-propagated artichoke cultivars and allowed identifying distinctive metabolic signatures for both phenolic compounds and sesquiterpene lactones. This work supports the exploitation of the artichoke leaves from hybrid cultivars as a rich source of bioactive phytochemicals.
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Athipornchai, Anan. "A Review on Tabernaemontana spp.: Multipotential Medicinal Plant." Asian Journal of Pharmaceutical and Clinical Research 11, no. 5 (May 1, 2018): 45. http://dx.doi.org/10.22159/ajpcr.2018.v11i5.11478.
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Tabernaemontana is one of the genera that is used in Chinese, Ayurvedic and Thai traditional medicine for the treatment several diseases. From a chemical point of view, the great majority of Tabernaemontana species have already been subjected to isolation and identification of indole alkaloids present in their several parts. Many of indole alkaloids have been shown to exhibit a wide array of biological activities. The biogenesis, classification and biological activities of the indole alkaloids found in Tabernaemontana species were discussed in this review and its brings the research up-to-date on the bioactive compounds produced by Tabernaemontana species, directly or indirectly related to human health.
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Hong, Tran Thi, Ton That Huu Dat, Nguyen Thi Kim Cuc, and Pham Viet Cuong. "Mini-Review PROTEASE INHIBITOR (PI) AND PIs FROM SPONGE-ASSOCIATED MICROORGANISMS." Vietnam Journal of Science and Technology 56, no. 4 (August 6, 2018): 405. http://dx.doi.org/10.15625/2525-2518/56/4/10911.
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Protease inhibitors (PIs) are proteins or peptides inhibiting the activity of protease and constitute a very important mechanism for regulating protease activity. So far, PIs have been used for the study of enzyme structures and reaction mechanisms, but recently they have been used in pharmaceutical, agricultural and industrial fields. Compared to terrestrial counterparts, marine environment possesses their unique characters, therefore, they are capable of producing a wide range of novel bioactive compounds including protease inhibitors. In our review, a brief overview of protease inhibitors (e.g., classification, mechanisms, and characteristics of PIs) and protease inhibitors from marine sponges and sponge-associated microorganisms has been reviewed.
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Holser, Ronald A. "Principal Component Analysis of Phenolic Acid Spectra." ISRN Spectroscopy 2012 (October 18, 2012): 1–5. http://dx.doi.org/10.5402/2012/493203.
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Phenolic acids are common plant metabolites that exhibit bioactive properties and have applications in functional food and animal feed formulations. The ultraviolet (UV) and infrared (IR) spectra of four closely related phenolic acid structures were evaluated by principal component analysis (PCA) to develop spectral models for their rapid detection. Results demonstrated that UV and IR spectra could discriminate between each of the phenolic acids in overall models. Calculation of model scores and loadings showed that derivative UV spectra accounted for 99% variation with 2 principal components (PC) while derivative IR spectra required 3 PCs. Individual PCA models were developed for ferulic acid and p-coumaric acid using derivative UV spectra for detection and classification by soft independent modeling of class analogy (SIMCA). The application of this spectral technique as a classification model is expected to promote the use of agricultural residues as a source of these phenolic compounds.
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Cannon, Edward O., Ata Amini, Andreas Bender, Michael J. E. Sternberg, Stephen H. Muggleton, Robert C. Glen, and John B. O. Mitchell. "Support vector inductive logic programming outperforms the naive Bayes classifier and inductive logic programming for the classification of bioactive chemical compounds." Journal of Computer-Aided Molecular Design 21, no. 5 (March 27, 2007): 269–80. http://dx.doi.org/10.1007/s10822-007-9113-3.
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Sigwela, Vuyisa, Maryna De Wit, Alba du Toit, Gernot Osthoff, and Arno Hugo. "Bioactive Betalain Extracts from Cactus Pear Fruit Pulp, Beetroot Tubers, and Amaranth Leaves." Molecules 26, no. 16 (August 18, 2021): 5012. http://dx.doi.org/10.3390/molecules26165012.
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Natural food items and the additional benefits they provide have received considerable attention in recent years. Betalains are nutritious pigments which have valuable biological properties, e.g., antioxidant and free radical scavenging activity. In this study, aqueous betalain extracts were obtained from different coloured cactus pears (purple, red/pink, and orange), amaranth, and beetroot, with and without the addition of ascorbic acid, microwave-heated, and freeze-dried and subsequently analysed by thin layer chromatography (TLC). Beetroot samples without the addition of ascorbic acid (AA) had lower phenols, flavonoids, and ascorbic acid content than beetroot samples extracted with the addition of AA. Amaranth had significantly higher contents of antioxidants than all the other plants. Results for phenolic compounds showed that there were no significant differences between cactus pear cultivars, however, significant differences were seen between the two beetroot samples (microwave-heated with and without AA) as well as amaranth. For flavonoid compounds, amaranth had significantly higher values than all other samples. The lowest flavonoid content was found in beetroot without AA (0.49 mgCE/g). For ascorbic acid, significant differences were noticed between amaranth (71.71 mg/100 g) and samples from cactus pear and beetroot. TLC results showed that purple and red cactus pear samples had the most vivid colours, a reflection of the high betacyanin and betaxanthin contents in the cultivars. Moreover, extracts from cactus pear, beetroot, and amaranth were classified according to a decision tree which was designed by the Code of Federal Regulations/Food Additives Regulation of the EU. The classification of betalain pigment extracts as colouring foods was achieved through enrichment factor calculations and the colourant decision tree. The results showed that the betalain pigment extraction method used is inexpensive, time-saving, energy-saving, non-toxic, and chemical solvent free and yields high concentrations of betalains.
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Huynh, Thi Thu Hue, Quang Ha Dao, Dang Ton Nguyen, and Hong Diep Le. "Assessment of classification ability for rbcL and trnL barcode in some Stemonaceae samplescollected from northern Vietnam." Ministry of Science and Technology, Vietnam 63, no. 8 (August 30, 2021): 25–29. http://dx.doi.org/10.31276/vjst.63(8).25-29.
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Stemona tuberosa Lour. a precious medicinal plant that belongs to the Stemonaceae family, has high applicability to human life. Extracts from leaves or roots of this herb contain many bioactive compounds with great value for both medical application and economy. However, there is not enough data related to evaluation and classification for Stemona species in Vietnam. Therefore, in this study, the authors used the DNA barcoding method to evaluate at the molecular level for four samples of Stemona tuberosa Lour. in northern Vietnam compared with other reference sequences from other species in the Stemonaceae family from GenBank based on two chloroplast barcodes rbcL and trnL. The primary results of genetics distance analysis and phylogenetic trees showed the close relationship between the four studied samples with Stemona tuberosa Lour. (sequenced from GenBank). The trnL with 1100 bp in length also proves the better classification ability of Stemona than the rbcLregion with 600 bp in length. These outcomes would be the first promising step for further studies about Stemona and other herbs, thus contributing to both scientific research and practical applicability demands as classification and conservation.
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Bernart, Matthew W. "Ultra-High Performance Liquid Chromatography (UHPLC) Method for the Determination of Limonene in Sweet Orange (Citrus sinensis) Oil: Implications for Limonene Stability." Journal of AOAC INTERNATIONAL 98, no. 1 (January 1, 2015): 94–97. http://dx.doi.org/10.5740/jaoacint.14-157.
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Abstract The citrus-derived bioactive monoterpene limoneneis an important industrial commodity and fragrance constituent. An RP isocratic elution C18 ultra-HPLC (UHPLC) method using a superficially porous stationary phase and photodiode array (PDA) detector has beendeveloped for determining the limonene content of sweet orange (Citrus sinensis) oil. The method is fast with a cycle time of 1.2 min, linear, precise, accurate, specific, and stability indicating, and it satisfies U.S. Pharmacopeia suitability parameters. The method may be useful in its present form for limonene processing, or modified for research on more polar compounds of the terpenome. A forced-degradation experiment showed that limonene is degraded by heat in hydro-ethanolic solution. PDA detection facilitates classification of minor components of the essential oil, including β-myrcene.
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Hunt, Lee E., Susan A. Bourne, and Mino R. Caira. "Inclusion of Hydroxycinnamic Acids in Methylated Cyclodextrins: Host-Guest Interactions and Effects on Guest Thermal Stability." Biomolecules 11, no. 1 (December 31, 2020): 45. http://dx.doi.org/10.3390/biom11010045.
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There is ongoing interest in exploiting the antioxidant activity and other medicinal properties of natural monophenolic/polyphenolic compounds, but their generally low aqueous solubility limits their applications. Numerous studies have been undertaken to solubilize such compounds via supramolecular derivatization with co-crystal formation with biocompatible coformer molecules and cyclodextrin (CD) complexation being two successful approaches. In this study, eight new crystalline products obtained by complexation between methylated cyclodextrins and the bioactive phenolic acids (ferulic, hydroferulic, caffeic, and p-coumaric acids) were investigated using thermal analysis (hot stage microscopy, thermogravimetry, differential scanning calorimetry) and X-ray diffraction. All of the complexes crystallized as ternary systems containing the host CD, a phenolic acid guest, and water. On heating each complex, the primary thermal events were dehydration and liberation of the respective phenolic acid component, the mass loss for the latter step enabling determination of the host-guest stoichiometry. Systematic examination of the X-ray crystal structures of the eight complexes enabled their classification according to the extent of inclusion of each guest molecule within the cavity of its respective CD molecule. This revealed three CD inclusion compounds with full guest encapsulation, three with partial guest inclusion, and two that belong to the rare class of ‘non-inclusion’ compounds.
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Martinez, Iciar, Tone Bathen, Inger Beate Standal, Johanna Halvorsen, Marit Aursand, Ingrid S. Gribbestad, and David E. Axelson. "Bioactive Compounds in Cod (Gadus morhua) Products and Suitability of1H NMR Metabolite Profiling for Classification of the Products Using Multivariate Data Analyses." Journal of Agricultural and Food Chemistry 53, no. 17 (August 2005): 6889–95. http://dx.doi.org/10.1021/jf0507902.
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Barbosa-Pereira, Letricia, Simona Belviso, Ilario Ferrocino, Olga Rojo-Poveda, and Giuseppe Zeppa. "Characterization and Classification of Cocoa Bean Shells from Different Regions of Venezuela Using HPLC-PDA-MS/MS and Spectrophotometric Techniques Coupled to Chemometric Analysis." Foods 10, no. 8 (August 2, 2021): 1791. http://dx.doi.org/10.3390/foods10081791.
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The cocoa bean shell (CBS) is one of the main cocoa byproducts with a prospective to be used as a functional food ingredient due to its nutritional and sensory properties. This study aims to define the chemical fingerprint of CBSs obtained from cocoa beans of diverse cultivars and collected in different geographical areas of Venezuela assessed using high-performance liquid chromatography coupled to photodiodes array and mass spectrometry (HPLC-PDA-MS/MS) and spectrophotometric assays combined with multivariate analysis for classification purposes. The study provides a comprehensive fingerprint and quantitative data for 39 compounds, including methylxanthines and several polyphenols, such as flavan-3-ols, procyanidins, and N-phenylpropenoyl amino acids. Several key cocoa markers, such as theobromine, epicatechin, quercetin-3-O-glucoside, procyanidin_A pentoside_3, and N-coumaroyl-l-aspartate_2, were found suitable for the classification of CBS according to their cultivar and origin. Despite the screening methods required a previous purification of the sample, both methodologies appear to be suitable for the classification of CBS with a high correlation between datasets. Finally, preliminary findings on the identification of potential contributors for the radical scavenging activity of CBS were also accomplished to support the valorization of this byproduct as a bioactive ingredient in the production of functional foods.
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Maimaiti, Zulipiya, Ablajan Turak, Qing Ling Ma, Geyu Liu, and Haji Akbar Aisa. "Quantitative Determination of Marker Compounds and Fingerprint Analysis of the Seeds of Vernonia anthelmintica." International Journal of Analytical Chemistry 2020 (October 30, 2020): 1–12. http://dx.doi.org/10.1155/2020/8859425.
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In traditional Chinese medicine, the seeds of Vernonia anthelmintica (L.) Willd. have been widely used for treatment of cough, skin diseases, diarrhea, fever, schistosomiasis, amoebic dysentery, and gastrointestinal problems, especially in the treatment of vitiligo for thousands of years in China. In this study, an effective, reliable, and accurate high-performance liquid chromatography diode array detector (HPLC-DAD) method was developed for quantitative analysis of 3 marker bioactive compounds and chemical fingerprint of the seeds of V. anthelmintica. Data corresponding to common peak areas and HPLC chromatographic fingerprints were analyzed by exploratory hierarchical cluster analysis (HCA) and principal component analysis (PCA) to extract information of the most significant variables contributing to characterization and classification of the analyzed samples. Based on variety and origin, the high-performance thin layer chromatography (HPTLC) method validated the chemical fingerprint results used to screen the in vitro antioxidant activity of V. anthelmintica. The results show that the developed method has potential application values for the quality consistency evaluation and identification of similar instant V. anthelmintica samples. When considered collectively, this research results provide a scientific basis for the improvement of standardization and specification of V. anthelmintica medicinal materials and provide a pathway for the development and utilization of references for the identification of V. anthelmintica herbs.
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Escuredo, Olga, María Shantal Rodríguez-Flores, Sergio Rojo-Martínez, and María Carmen Seijo. "Contribution to the Chromatic Characterization of Unifloral Honeys from Galicia (NW Spain)." Foods 8, no. 7 (June 29, 2019): 233. http://dx.doi.org/10.3390/foods8070233.
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Honey color and other physicochemical characteristics depend mainly on the botanical and geographical origin. The study of these properties could make easier a correct classification of unifloral honey. This work determined the palynological characteristics and some physicochemical properties such as pH, electrical conductivity, and color (Pfund scale and the CIELa*b* coordinates), as well as the total content of the bioactive compounds phenols and flavonoids of ninety-three honey samples. Samples were classified as chestnut, blackberry, heather, eucalyptus, and honeydew honey. The study showed a close relationship between the physicochemical variables and the botanical origin. The five types of honey presented different physicochemical properties among them. A principal component analysis showed that Hue, lightness, b*, and Chroma variables were important for the honey types classification, followed by Erica pollen, pH, Cytisus, and Castanea variables. A forward stepwise regression analysis was performed introducing as dependent variables the color (mm Pfund) and the Chroma and the Hue variables. The regression models obtained explained 86%, 74%, and 86% of the variance of the data, respectively. The combination of the chromatic and physicochemical and pollen variables through the use of multivariable methods was optimal to characterize and group the honey samples studied.
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He, Yong, Yiying Zhao, Chu Zhang, Yijian Li, Yidan Bao, and Fei Liu. "Discrimination of Grape Seeds Using Laser-Induced Breakdown Spectroscopy in Combination with Region Selection and Supervised Classification Methods." Foods 9, no. 2 (February 15, 2020): 199. http://dx.doi.org/10.3390/foods9020199.
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The wine-making industry generates a considerable amount of grape pomace. Grape seeds, as an important part of pomace, are rich in bioactive compounds and can be reutilized to produce useful derivatives. The nutritional properties of grape seeds are largely influenced by the cultivar, which calls for effective identification. In the present work, the spectral profiles of grape seeds belonging to three different cultivars were collected by laser-induced breakdown spectroscopy (LIBS). Three conventional supervised classification methods and a deep learning method, a one-dimensional convolutional neural network (CNN), were applied to establish discriminant models to explore the relationship between spectral responses and cultivar information. Interval partial least squares (iPLS) algorithm was successfully used to extract the spectral region (402.74–426.87 nm) relevant for elemental composition in grape seeds. By comparing the discriminant models based on the full spectra and the selected spectral regions, the CNN model based on the full spectra achieved the optimal overall performance, with classification accuracy of 100% and 96.7% for the calibration and prediction sets, respectively. This work demonstrated the reliability of LIBS as a rapid and accurate approach for identifying grape seeds and will assist in the utilization of certain genotypes with desirable nutritional properties essential for production rather than their being discarded as waste.
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Zielinski, Acácio A. F., Charles W. I. Haminiuk, and Trust Beta. "Evaluation of the Phenolics and in vitro Antioxidant Activity of Different Botanical Herbals Used for Tea Infusions in Brazil." Current Nutrition & Food Science 15, no. 4 (June 28, 2019): 345–52. http://dx.doi.org/10.2174/1573401313666171020114727.
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Background: The consumption of herbal teas has gained much attention due to its healthpromoting benefits, including antioxidant, neuroprotective, antimicrobial, antitumor, and antiinflammatory effects. These biological activities are associated in part to the antioxidant activity of chemical compounds present in teas, especially flavonoids and phenolic acids. Objective: The aim of this study was to evaluate a total of 17 different botanical herbal infusions consumed in Brazil in terms of their phenolic antioxidants. Methods: The analysis performed were total phenolic compounds, total flavonoids, total flavonols, tannin content and in vitro antioxidant activity (DPPH, ABTS, CUPRAC, FRAP, and ORAC assays). Data were processed using univariate, bivariate and multivariate analysis (hierarchical cluster analysis). Results: The use of Hierarchical Cluster Analysis (HCA) suggested an unsupervised classification relationship based on level of functionality of the herbal teas. Higher levels of total phenolics, total flavonoids and antioxidant activity were found in Anemopaegma mirandum while higher values of tannin content and total flavonols were found in Peumus boldus. All antioxidant activity assays showed significant correlations among each other (r > 0.84, p < 0.001), and with total phenolic and flavonoids (r > 0.83, p < 0.001). Using HCA, three clusters were suggested and cluster 1 showed the highest functionality. Conclusion: The herbal infusions evaluated can be a good resource of bioactive compounds to consume and supplementing food products. Nevertheless, future studies should focus on the evaluation of these herbal teas using in vivo systems to understand the mechanisms of action when these different herbal infusions are used as beverages.
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D’Agostino, Vito Giuseppe, Denise Sighel, Chiara Zucal, Isabelle Bonomo, Mariachiara Micaelli, Graziano Lolli, Alessandro Provenzani, Alessandro Quattrone, and Valentina Adami. "Screening Approaches for Targeting Ribonucleoprotein Complexes: A New Dimension for Drug Discovery." SLAS DISCOVERY: Advancing the Science of Drug Discovery 24, no. 3 (January 7, 2019): 314–31. http://dx.doi.org/10.1177/2472555218818065.
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RNA-binding proteins (RBPs) are pleiotropic factors that control the processing and functional compartmentalization of transcripts by binding primarily to mRNA untranslated regions (UTRs). The competitive and/or cooperative interplay between RBPs and an array of coding and noncoding RNAs (ncRNAs) determines the posttranscriptional control of gene expression, influencing protein production. Recently, a variety of well-recognized and noncanonical RBP domains have been revealed by modern system-wide analyses, underlying an evolving classification of ribonucleoproteins (RNPs) and their importance in governing physiological RNA metabolism. The possibility of targeting selected RNA–protein interactions with small molecules is now expanding the concept of protein “druggability,” with new implications for medicinal chemistry and for a deeper characterization of the mechanism of action of bioactive compounds. Here, taking SF3B1, HuR, LIN28, and Musashi proteins as paradigmatic case studies, we review the strategies applied for targeting RBPs, with emphasis on the technological advancements to study protein–RNA interactions and on the requirements of appropriate validation strategies to parallel high-throughput screening (HTS) efforts.
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Barros, Ana, Vitoria Bell, Jorge Ferrão, Vittorio Calabrese, and Tito Fernandes. "Mushroom Biomass: Some Clinical Implications of β-Glucans and Enzymes." Current Research in Nutrition and Food Science Journal 4, Special-Issue-October (October 1, 2016): 37–47. http://dx.doi.org/10.12944/crnfsj.4.special-issue-october.06.
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Mushrooms have attracted market attention because they are a potential source of bioactive compounds able to perform several functions in organisms with benefits for the health of the consumer. Cultivation processes vary according a) industrial fermentation - in large vats to produce extracted form of mushrooms or b) closed cultivation system - individually grown in jars on an aseptic “substrate” with controlled lighting and irrigation to produce a biomass form of mushrooms. Biomass is the mycelium with primordia (young fruiting body - before the mushroom blooms) containing all the nutrients and active compounds, including β-glucans, enzymes and secondary metabolites. The classification of mushroom biomass varies according to the presentation; the biomass can be classified as a “food” if in powder form or, classified as a “dietary supplement” in tablet form. While tablet mushroom biomass is considered a dietary supplement, mushroom extracts are designated pharmaceutical compounds, pharmanutrients or nutraceuticals. Here we illustrate the difference between mushrooms in the biomass and extract forms, the similarities and differences on its content on enzymes, secondary metabolites and on β-glucans, as a soluble and fermentable fibre. Of particular note is the rich enzyme activity in the biomass form of mushrooms. Such activity includes enzymes that prevent oxidative stress (superoxide dismutase), enzymes that prevent cellular growth (protease, glucoamylase) and enzymes that promote detoxification (cytochrome P-450, peroxidase, glucose-2-oxidase). β-glucans have been proposed to act as “biological response modifiers” based on their effects on the immune system, and its role in the prevention and treatment of various metabolic syndrome-linked diseases. This review focuses also on some described health-promoting potential of mushroom biomass, all through immunomodulation. The role of intestinal microbiota is enhanced.
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Vohra, Kripi, Vandana Garg, and Harish Dureja. "Ethnopharmacology, Phytochemistry and Pharmacology of Lens culinaris Medikus Seeds: An Update." Current Nutrition & Food Science 15, no. 2 (March 21, 2019): 121–29. http://dx.doi.org/10.2174/1573401313666170925155508.
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Background: The seeds of Lens culinaris Medikus belong to family Leguminosae and are commonly known as masoor pulses, Lentils, and Lens esculenta Moench. Objective: The present review provides an up-to-date information on the therapeutic potential of Lentil seeds including its synonyms, taxonomical classification, geographical distribution, cultivation, pharmacognosy, phytochemistry, ethnopharmacology and reported biological uses. Updated Information: Geographically, L. culinaris seeds are grown throughout North India. They are lens shaped, grayish brown in color with mucilaginous taste and characteristic odor. They are well known for their nutritional properties and are also considered as a vital part of a balanced diet. Besides their contribution to health due to the presence of essential macro- and micro- nutrients, they also contain various bioactive phytochemicals such as phenolic compounds, saponins, etc. which are responsible for exhibiting various pharmacological properties. The Lentil seeds are traditionally used to treat gastrointestinal problems such as dysentery, diarrhea, constipation, strangury, cardiac disorders, skin diseases, anemia, etc. Due to such an attractive ethnopharmacological profile, various studies have been conducted on Lentil seeds which recommend the use of Lentil seeds as antioxidant, antibacterial, antifungal antihyperlipidemic, etc. Conclusion: This would assist the researchers to get a better insight into Lentil seeds.
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Revelou, Panagiota-Kyriaki, Marinos Xagoraris, Athanasia Alexandropoulou, Charalabos D. Kanakis, George K. Papadopoulos, Christos S. Pappas, and Petros A. Tarantilis. "Chemometric Study of Fatty Acid Composition of Virgin Olive Oil from Four Widespread Greek Cultivars." Molecules 26, no. 14 (July 8, 2021): 4151. http://dx.doi.org/10.3390/molecules26144151.
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Virgin olive oil (VOO) is one of the key components of the Mediterranean diet owing to the presence of monounsaturated fatty acids and various bioactive compounds. These beneficial traits, which are usually associated with the cultivar genotype, are highlighting the demand of identifying characteristics of olive oil that will ensure its authenticity. In this work, the fatty acid (FA) composition of 199 VOO samples from Koroneiki, Megaritiki, Amfissis, and Manaki cultivars was determined and studied by chemometrics. Olive cultivar greatly influenced the FA composition, namely, oleic acid (from 75.36% for Amfissis to 65.81% for Megaritiki) and linoleic acid (from 13.35% for Manaki to 6.70% for Koroneiki). Spearman’s rho correlation coefficients revealed differences and similarities among the olive oil cultivars. The use of the forward stepwise algorithm identified the FAs arachidonic acid, gadoleic acid, linoleic acid, α-linolenic acid, palmitoleic acid, and palmitic acid as the most significant for the differentiation of samples. The application of linear and quadratic cross-validation discriminant analysis resulted in the correct classification of 100.00% and 99.37% of samples, respectively. The findings demonstrated the special characteristics of the VOO samples derived from the four cultivars and their successful botanical differentiation based on FA composition.
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Akilandeswari G, Bupesh G, Vijaya Anand A, Saradhadevi K M, Mayur Mausoom Phukan, and Meenakumari K. "Invitro Efficacy of antioxidant activity in ethanolic and aqueous leaf extracts of Andrographis paniculata Nees and Rhinacanthus nasutus Kurz." International Journal of Research in Pharmaceutical Sciences 11, no. 4 (October 8, 2020): 6301–6. http://dx.doi.org/10.26452/ijrps.v11i4.3344.
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Plants are adundantly and are very promisive to be used as source of drugs in many diseases or infections and also it is a main agents of antioxidants which prevents the oxidative stress that are caused by the free radicals. There are numerous studies based on the pharmaceutical and classification of medicinal plants throughout the world. Leaves, fruits, roots are most frequently plant parts used in many research and studies. Here the present study was aimed to evaluate the in vitro antioxidant activity of aqueous and ethanol leaf extracts of Andrographis paniculata Nees and Rhinacanthus nasutus Kurz. Antioxidant is a substance which is used to prevent some types of cell damage in the body. Determination of their in vitro antioxidant activity were carried out by using methods such as DPPH (2,2-diphenyl-1picrylhydrazyl assay), ABTS (2,2′-azinobis (3-ethylbenzothiazolin 6-sulfonic acid assay), FRAP (ferric reducing antioxidant power assay) and SOD (super oxide anion scavenging) assay, H2O2 (hydrogen peroxide radical scavenging) assay. Moreover the ethanolic leaf extracts showed best antioxidant activity than the aqueous leaf extracts. Experimental results reveals that the leaves of A. paniculata have potent antioxidant and free radical scavenging activity than R. nasutus. Further investigation must be done for these two medicinal plants for the discovery of the bioactive compounds.
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Alexandre-Gouabau, Marie-Cécile, Thomas Moyon, Agnès David-Sochard, François Fenaille, Sophie Cholet, Anne-Lise Royer, Yann Guitton, et al. "Comprehensive Preterm Breast Milk Metabotype Associated with Optimal Infant Early Growth Pattern." Nutrients 11, no. 3 (February 28, 2019): 528. http://dx.doi.org/10.3390/nu11030528.
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Early nutrition impacts preterm infant early growth rate and brain development but can have long lasting effects as well. Although human milk is the gold standard for feeding new born full-term and preterm infants, little is known about the effects of its bioactive compounds on breastfed preterm infants’ growth outcomes. This study aims to determine whether breast milk metabolome, glycome, lipidome, and free-amino acids profiles analyzed by liquid chromatography-mass spectrometry had any impact on the early growth pattern of preterm infants. The study population consisted of the top tercile-Z score change in their weight between birth and hospital discharge (“faster grow”, n = 11) and lowest tercile (“slower grow”, n = 15) from a cohort of 138 premature infants (27–34 weeks gestation). This holistic approach combined with stringent clustering or classification statistical methods aims to discriminate groups of milks phenotype and identify specific metabolites associated with early growth of preterm infants. Their predictive reliability as biomarkers of infant growth was assessed using multiple linear regression and taking into account confounding clinical factors. Breast-milk associated with fast growth contained more branched-chain and insulino-trophic amino acid, lacto-N-fucopentaose, choline, and hydroxybutyrate, pointing to the critical role of energy utilization, protein synthesis, oxidative status, and gut epithelial cell maturity in prematurity.
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Bengoa, Ana Agustina, Carolina Dardis, Graciela L. Garrote, and Analía G. Abraham. "Health-Promoting Properties of Lacticaseibacillus paracasei: A Focus on Kefir Isolates and Exopolysaccharide-Producing Strains." Foods 10, no. 10 (September 22, 2021): 2239. http://dx.doi.org/10.3390/foods10102239.
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Among artisanal fermented beverages, kefir (fermented milk drink) and water kefir (fermented nondairy beverage) are of special interest because their grains can be considered natural reservoirs of safe and potentially probiotic strains. In the last years, several reports on Lacticaseibacillus paracasei (formerly Lactobacillus paracasei) isolated from both artisanal fermented beverages were published focusing on their health-promoting properties. Although this is not the predominant species in kefir or water kefir, it may contribute to the health benefits associated to the consumption of the fermented beverage. Since the classification of L. paracasei has been a difficult task, the selection of an adequate method for identification, which is essential to avoid mislabeling in products, publications, and some publicly available DNA sequences, is discussed in the present work. The last findings in health promoting properties of L. paracasei and the bioactive compounds are described and compared to strains isolated from kefir, providing a special focus on exopolysaccharides as effector molecules. The knowledge of the state of the art of Lacticaseibacillus paracasei from kefir and water kefir can help to understand the contribution of these microorganisms to the health benefits of artisanal beverages as well as to discover new probiotic strains for applications in food industry.
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Chen, Shuyu, Jingjing Shi, Lisi Zou, Xunhong Liu, Renmao Tang, Jimei Ma, Chengcheng Wang, Mengxia Tan, and Jiali Chen. "Quality Evaluation of Wild and Cultivated Schisandrae Chinensis Fructus Based on Simultaneous Determination of Multiple Bioactive Constituents Combined with Multivariate Statistical Analysis." Molecules 24, no. 7 (April 4, 2019): 1335. http://dx.doi.org/10.3390/molecules24071335.
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Schisandrae Chinensis Fructus, also called wuweizi in China, was a widely used folk medicine in China, Korea, and Russia. Due to the limited natural resources and huge demand of wuweizi, people tend to cultivate wuweizi to protect this species. However, the quality of wild and cultivated herbs of the same species may change. Little attention has been paid to comparing wild and cultivated wuweizi based on simultaneous determination of its active components, such as lignans and organic acids. An analytical method based on UFLC-QTRAP-MS/MS was used for the simultaneous determination of 15 components, including 11 lignans (schisandrin, gomisin D, gomisin J, schisandrol B, angeloylgomisin H, schizantherin B, schisanhenol, deoxyschizandrin, γ-schisandrin, schizandrin C, and schisantherin) and 4 organic acids (quinic acid, d(−)-tartaric acid, l-(−)-malic acid, and protocatechuic acid) in wuweizi under different ecological environments. Principal components analysis (PCA), partial least squares discrimination analysis (PLS-DA), independent sample t-test, and gray relational analysis (GRA) have been applied to classify and evaluate samples from different ecological environments according to the content of 15 components. The results showed that the differential compounds (i.e., quinic acid, l-(−)-malic acid, protocatechuic acid, schisandrol B) were significantly related to the classification of wild and cultivated wuweizi. GRA results demonstrated that the quality of cultivated wuweizi was not as good as wild wuweizi. The protocol not just provided a new method for the comprehensive evaluation and quality control of wild and cultivated wuweizi, but paved the way to differentiate them at the chemistry level.
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Luo, Zong-Long, Kevin D. Hyde, Jian-Kui (Jack) Liu, Sajeewa S. N. Maharachchikumbura, Rajesh Jeewon, Dan-Feng Bao, Darbhe Jayarama Bhat, et al. "Freshwater Sordariomycetes." Fungal Diversity 99, no. 1 (November 2019): 451–660. http://dx.doi.org/10.1007/s13225-019-00438-1.
Full textAbstract:
Abstract Sordariomycetes is one of the largest classes of Ascomycota that comprises a highly diverse range of fungi mainly characterized by perithecial ascomata and inoperculate unitunicate asci. Freshwater Sordariomycetes play an important role in ecosystems and some of them have the potential to produce bioactive compounds. This study documents and reviews the freshwater Sordariomycetes, which is one of the largest and important groups of fungi in aquatic habitats. Based on evidence from DNA sequence data and morphology, we introduce a new order Distoseptisporales, two new families, viz. Ceratosphaeriaceae and Triadelphiaceae, three new genera, viz. Aquafiliformis, Dematiosporium and Neospadicoides, 47 new species, viz. Acrodictys fluminicola, Aquafiliformis lignicola, Aquapteridospora fusiformis, Arthrinium aquaticum, Ascosacculus fusiformis, Atractospora aquatica, Barbatosphaeria lignicola, Ceratosphaeria aquatica, C. lignicola, Chaetosphaeria aquatica, Ch. catenulata, Ch. guttulata, Ch. submersa, Codinaea yunnanensis, Conioscypha aquatica, C. submersa, Cordana aquatica, C. lignicola, Cosmospora aquatica, Cylindrotrichum submersum, Dematiosporium aquaticum, Dictyochaeta cangshanensis, D. ellipsoidea, D. lignicola, D. submersa, Distoseptispora appendiculata, D. lignicola, D. neorostrata, D. obclavata, Hypoxylon lignicola, Lepteutypa aquatica, Myrmecridium aquaticum, Neospadicoides aquatica, N. lignicola, N. yunnanensis, Ophioceras submersum, Peroneutypa lignicola, Phaeoisaria filiformis, Pseudostanjehughesia lignicola, Rhodoveronaea aquatica, Seiridium aquaticum, Sporidesmiella aquatica, Sporidesmium lageniforme, S. lignicola, Tainosphaeria lunata, T. obclavata, Wongia aquatica, two new combinations, viz. Acrodictys aquatica, Cylindrotrichum aquaticum, and 9 new records, viz. Chaetomium globosum, Chaetosphaeria cubensis, Ch. myriocarpa, Cordana abramovii, Co. terrestris, Cuspidatispora xiphiago, Sporidesmiella hyalosperma, Stachybotrys chartarum,S. chlorohalonata. A comprehensive classification of the freshwater Sordariomycetes is presented based on updated literature. Phylogenetic inferences based on DNA sequence analyses of a combined LSU, SSU, RPB2 and TEF1α dataset comprising species of freshwater Sordariomycetes are provided. Detailed information including their habitats distribution, diversity, holotype, specimens collected and classification are provided.
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Meerod, Kanyaphat, Monthana Weerawatanakorn, and Wanwisa Pansak. "The relationship between soil chemical properties and phytochemical contents of non-centrifugal cane brown sugar in Thailand." Australian Journal of Crop Science, no. 15(02):2021 (February 3, 2021): 187–95. http://dx.doi.org/10.21475/ajcs.21.15.02.p2270.
Full textAbstract:
In Thailand, NCS products from sugarcane are traditionally produced by the evaporation of raw cane juice obtained from a pressing machine. NCS products enhance flavor and supply both energy and nutritional value through the vitamins, minerals and bioactive compounds which occur naturally in sugarcane produced without molasses removal. Soil quality and choice of cane cultivar affect the nutraceutical components of brown cane sugar products grown in diverse areas. Differences in nutraceutical components of NCS products obtained by traditional processes were investigated form sugarcane planted in two different areas of Sukhothai Province, with varied soil qualities based on the same cane variety (LK-92-11). The soil classification was carried out according to the Staff Soil Survey (2014) and classified as Aquic Haplustalfs and Aeric Endoaquepts soil types. NCS products from sugarcane planted in Aquic Haplustalfs contained high nutraceuticals and antioxidant activities compared with sugarcane planted in Aeric Endoaquepts. EC and potassium content of the soils showed significant negative correlation with policosanols, total phenolics, total flavonoid contents, and antioxidant activities of the NCS products. Pearson’s correlation indicated that higher electrical conductivity and potassium content of the soils were attributable to lower amounts of policosanols, total phenolics, and total flavonoid contents as well as antioxidant activities. We suggested that electrical conductivity and potassium content of soil should be concerned and monitored to obtain high level of nutraceutical of NCS product made from sugarcane
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Podlewska, Sabina, and Rafał Kurczab. "Mutual Support of Ligand- and Structure-Based Approaches—To What Extent We Can Optimize the Power of Predictive Model? Case Study of Opioid Receptors." Molecules 26, no. 6 (March 14, 2021): 1607. http://dx.doi.org/10.3390/molecules26061607.
Full textAbstract:
The process of modern drug design would not exist in the current form without computational methods. They are part of every stage of the drug design pipeline, supporting the search and optimization of new bioactive substances. Nevertheless, despite the great help that is offered by in silico strategies, the power of computational methods strongly depends on the input data supplied at the stage of the predictive model construction. The studies on the efficiency of the computational protocols most often focus on global efficiency. They use general parameters that refer to the whole dataset, such as accuracy, precision, mean squared error, etc. In the study, we examined machine learning predictions obtained for opioid receptors (mu, kappa, delta) and focused on cases for which the predictions were the most accurate and the least accurate. Moreover, by using docking, we tried to explain prediction errors. We attempted to develop a rule of thumb, which can help in the prediction of compound activity towards opioid receptors via docking, especially those that have been incorrectly predicted by machine learning. We found out that although the combination of ligand- and structure-based path can be beneficial for the prediction accuracy, there still remain cases that cannot be reliably predicted by any available modeling method. In addition to challenging ligand- and structure-based predictions, we also examined the role of the application of machine-learning methods in comparison to simple statistical methods for both standard ligand-based representations (molecular fingerprints) and interaction fingerprints. All approaches were confronted in both classification (where compounds were assigned to the group of active and inactive group constructed on the basis of Ki values) and regression (where exact Ki value was predicted) experiments.
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Sirithep, Kanokwadee, Fei Xiao, Nachon Raethong, Yuhan Zhang, Kobkul Laoteng, Guang Hu, and Wanwipa Vongsangnak. "Probing Carbon Utilization of Cordyceps militaris by Sugar Transportome and Protein Structural Analysis." Cells 9, no. 2 (February 10, 2020): 401. http://dx.doi.org/10.3390/cells9020401.
Full textAbstract:
Beyond comparative genomics, we identified 85 sugar transporter genes in Cordyceps militaris, clustering into nine subfamilies as sequence- and phylogenetic-based functional classification, presuming the versatile capability of the fungal growths on a range of sugars. Further analysis of the global gene expression patterns of C. militaris showed 123 genes were significantly expressed across the sucrose, glucose, and xylose cultures. The sugar transporters specific for pentose were then identified by gene-set enrichment analysis. Of them, the putative pentose transporter, CCM_06358 gene, was highest expressed in the xylose culture, and its functional role in xylose transport was discovered by the analysis of conserved structural motifs. In addition, a battery of molecular modeling methods, including homology modeling, transport pathway analysis, residue interaction network combined with molecular mechanics Poisson–Boltzmann surface area simulation (MM-PBSA), was implemented for probing the structure and function of the selected pentose transporter (CCM_06358) as a representative of sugar transportome in C. militaris. Considering the network bottlenecks and structural organizations, we further identified key amino acids (Phe38 and Trp441) and their interactions with other residues, contributing the xylose transport function, as verified by binding free energy calculation. The strategy used herein generated remarkably valuable biological information, which is applicable for the study of sugar transportome and the structure engineering of targeted transporter proteins that might link to the production of bioactive compounds derived from xylose metabolism, such as cordycepin.