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The ocean is a treasure trove of both living and nonliving creatures, harboring incredibly diverse group of organisms. A plethora of marine sourced bioactive compounds are discovered over the past few decades, many of which are found to show antibiofilm activity. These are of immense clinical significance since the formation of microbial biofilm is associated with the development of high antibiotic resistance. Biofilms are also responsible to bring about problems associated with industries. In fact, the toilets and wash-basins also show degradation due to development of biofilm on their surfaces. Antimicrobial resistance exhibited by the biofilm can be a potent threat not only for the health care unit along with industries and daily utilities. Various recent studies have shown that the marine members of various kingdom are capable of producing antibiofilm compounds. Many such compounds are with unique structural features and metabolomics approaches are essential to study such large sets of metabolites. Associating holobiome metabolomics with analysis of their chemical attribute may bring new insights on their antibiofilm effect and their applicability as a substitute for conventional antibiotics. The application of computer-aided drug design/discovery (CADD) techniques including neural network approaches and structured-based virtual screening, ligand-based virtual screening in combination with experimental validation techniques may help in the identification of these molecules and evaluation of their drug like properties.
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Antibacterianos , Biopelículas , Antibacterianos/farmacología , Diseño de FármacosRESUMEN
Tropical fruits are defined as fruits that are grown in hot and humid regions within the Tropic of Cancer and Tropic of Capricorn, covering most of the tropical and subtropical areas of Asia, Africa, Central America, South America, the Caribbean and Oceania. Depending on the cultivation area covered, economic value and popularity these tropical fruits are divided into major and minor tropical fruits. There is an annual increment of 3.8% in terms of commercialization of the tropical fruits. In total 26 minor tropical fruits (Kiwifruit, Lutqua, Carambola, Tree Tomato, Elephant apple, Rambutan, Bay berry, Mangosteen, Bhawa, Loquat, Silver berry, Durian, Persimon, Longan, Passion fruit, Water apple, Pulasan, Indian gooseberry, Guava, Lychee, Annona, Pitaya, Sapodilla, Pepino, Jaboticaba, Jackfruit) have been covered in this work. The nutritional composition, phytochemical composition, health benefits, traditional use of these minor tropical fruits and their role in food fortification have been portrayed.
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Frutas , Malus , Frutas/química , Antioxidantes/análisis , Alimentos Funcionales , Fitoquímicos/análisisRESUMEN
Consumers all across the world are looking for the most delectable and appealing foods, while also demanding products that are safer, more nutritious, and healthier. Substitution of synthetic colorants with natural colorants has piqued consumer and market interest in recent years. Due to increasing demand, extensive research has been conducted to find natural and safe food additives, such as natural pigments, that may have health benefits. Natural colorants are made up of a variety of pigments, many of which have significant biological potential. Because of the promising health advantages, natural colorants are gaining immense interest in the dairy industry. This review goes over the use of various natural colorants in dairy products which can provide desirable color as well as positive health impacts. The purpose of this review is to provide an in-depth look into the field of food (natural or synthetic) colorants applied in dairy products as well as their potential health benefits, safety, general trends, and future prospects in food science and technology. In this paper, we listed a plethora of applications of natural colorants in various milk-based products.
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From the ancient period, Green leafy vegetables (GLV) are part of the daily diet and were believed to have several health beneficial properties. Later it has been proved that GLV has outstanding nutritional value and can be used for medicinal benefits. GLV is particularly rich in minerals like iron, calcium, and zinc. These are also rich in vitamins like beta carotene, vitamin E, K, B and vitamin C. In addition, some anti-nutritional elements in GLV can be reduced if it is grown properly and processed properly before consumption. Tropical countries have a wide variety of these green plants such as Red Spinach, Amaranth, Malabar Spinach, Taro Leaf, Fenugreek leaf, Bengal Gram Leaves, Radish Leaves, Mustard Leaves, and many more. This review focuses on listing this wide range of GLVs (in total 54 underutilized GLVs) and their compositions in a comparative manner. GLV also possesses medicinal activities due to its rich bioactive and nutritional potential. Different processing techniques may alter the nutritional and bioactive potential of the GLVs significantly. The GLVs have been considered a food fortification agent, though not explored widely. All of these findings suggest that increasing GLV consumption could provide nutritional requirements necessary for proper growth as well as adequate protection against diseases caused by malnutrition.
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Beetroot is rich in various bioactive phytochemicals, which are beneficial for human health and exert protective effects against several disease conditions like cancer, atherosclerosis, etc. Beetroot has various therapeutic applications, including antioxidant, antibacterial, antiviral, and analgesic functions. Besides the pharmacological effects, food industries are trying to preserve beetroots or their phytochemicals using various food preservation methods, including drying and freezing, to preserve their antioxidant capacity. Beetroot is a functional food due to valuable active components such as minerals, amino acids, phenolic acid, flavonoid, betaxanthin, and betacyanin. Due to its stability, nontoxic and non-carcinogenic and nonpoisonous capabilities, beetroot has been used as an additive or preservative in food processing. Beetroot and its bioactive compounds are well reported to possess antioxidant, anti-inflammatory, antiapoptotic, antimicrobial, antiviral, etc. In this review, we provided updated details on (i) food processing, preservation and colorant methods using beetroot and its phytochemicals, (ii) synthesis and development of several nanoparticles using beetroot and its bioactive compounds against various diseases, (iii) the role of beetroot and its phytochemicals under disease conditions with molecular mechanisms. We have also discussed the role of other phytochemicals in beetroot and their health benefits. Recent technologies in food processing are also updated. We also addressed on molecular docking-assisted biological activity and screening for bioactive chemicals. Additionally, the role of betalain from different sources and its therapeutic effects have been listed. To the best of our knowledge, little or no work has been carried out on the impact of beetroot and its nanoformulation strategies for phytocompounds on antimicrobial, antiviral effects, etc. Moreover, epigenetic alterations caused by phytocompounds of beetroot under several diseases were not reported much. Thus, extensive research must be carried out to understand the molecular effects of beetroot in the near future.
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Fatty acids are good energy sources (9 kcal per gram) that aerobic tissues can use except for the brain (glucose is an alternative source). Apart from the energy source, fatty acids are necessary for cell signaling, learning-related memory, modulating gene expression, and functioning as cytokine precursors. Short-chain fatty acids (SCFAs) are saturated fatty acids arranged as a straight chain consisting minimum of 6 carbon atoms. SCFAs possess various beneficial effects like improving metabolic function, inhibiting insulin resistance, and ameliorating immune dysfunction. In this review, we discussed the biogenesis, absorption, and transport of SCFA. SCFAs can act as signaling molecules by stimulating G protein-coupled receptors (GPCRs) and suppressing histone deacetylases (HDACs). The role of SCFA on glucose metabolism, fatty acid metabolism, and its effect on the immune system is also reviewed with updated details. SCFA possess anticancer, anti-diabetic, and hepatoprotective effects. Additionally, the association of protective effects of SCFA against brain-related diseases, kidney diseases, cardiovascular damage, and inflammatory bowel diseases were also reviewed. Nanotherapy is a branch of nanotechnology that employs nanoparticles at the nanoscale level to treat various ailments with enhanced drug stability, solubility, and minimal side effects. The SCFA functions as drug carriers, and nanoparticles were also discussed. Still, much research was not focused on this area. SCFA functions in host gene expression through inhibition of HDAC inhibition. However, the study has to be focused on the molecular mechanism of SCFA against various diseases that still need to be investigated.
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Biofilm is the syntrophic association of microbial colonies that remain adhered to the biotic and abiotic surfaces with the help of self-secreted polymeric substances also termed extracellular polymeric substances. Chronic pathogenicity caused by biofilm-associated pathogenic microorganisms becomes a significant threat in biomedical research. An extensive search is being made for the antibiofilm agents made from natural sources or their biogenic derivatives due to their effectivity and nontoxicity. Algae being the producer of various biogenic substances are found capable of disintegrating biofilm matrix and eradication of biofilm without exerting any deterrent effect on other biotas in the ecosystem. The current trend in phycological studies includes the exploration of antifouling efficacy among various algal groups. The extracts prepared from about 225 microalgae and cyanobacteria species are found to have antibiofilm activity. Polyunsaturated fatty acids are the most important component in the algal extract with antibacterial and antibiofilm properties. The antibiofilm activity of the sulfated polysaccharides extracted from a marine alga could be effectively used to remove dental biofilm. Algal extracts are also being used for the preparation of different biogenically synthesized nanoparticles, which are being used as potent antibiofilm agents. Genome editing of algal species by CRISPR/Cas9 may make precise modifications in the algal DNA for improving the algal strains and production of a more effective antibiofouling agent.
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Bacterias , Ecosistema , Antibacterianos/farmacología , Biopelículas , Pruebas de Sensibilidad Microbiana , Extractos VegetalesRESUMEN
Biofilm-associated infections have increased excessively over the recent years due to the increased population having impaired immune systems or as a result of certain medical conditions like transplantation, cancer, and any other chronic ailments. The abrupt enhancement of antibiotic resistance and enhanced utilization of biomedical devices offer new opportunities for microbial colonization leading to the development of microbial biofilms. Total eradication of recalcitrant microbial biofilms demands the adoption of a holistic approach and since the fungal metabolites enriched with bioactive compounds show efficacy in inhibiting the multiple factors behind biofilm formation, the anti-biofilm activities of fungal metabolites need to be appraised. Being effective in preventing various steps of biofilm formation, including inhibition of surface adhesion and cell-to-cell communication through quorum quenching, blocking of quorum sensing receptors, and enzymes involved in microbial cell wall biosynthesis, targeting the virulence factors and finally killing of biofilm bound individual cells; myco-metabolites are found effective as a potent holistic anti-biofilm agent. The wide spectrum of bioactive substances of fungi and their anti-biofilm activities against different pathogens and their multitarget characteristics are very promising in the field of treating biofilm infections.
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Antibacterianos , Biopelículas , Antibacterianos/farmacología , Percepción de Quorum , Factores de Virulencia/metabolismoRESUMEN
Aegle marmelos (L.) Correa (Bael) fruit, a member of the Rutaceae family, is a major cultivated fruit plant in tropical and subtropical regions in countries of southeast Asia. Bael fruit has been a major topic for studies in recent years mainly due to its high nutritional (carbohydrates, proteins, minerals, and vitamins) value and presence of various phytochemicals, which attributed to its high medicinal value. These phytochemicals include various compounds, e.g., alkaloids, flavonoids, and phenolic acids (protocatechuic acid, gallic, and ellagic acid). The fruit extract of bael has been also an important study area for its pharmacological activities, including antidiarrheal, antioxidant, antidiabetic, hepatoprotective, radioprotective, anticancer, antiulcer properties. The current review mainly highlighted the nutritional and pharmacological activities of bael fruit. The nutritional profile and phytochemical profile were discussed in the review, along with their concentration in the fruit. Moreover, the experiments carried out in vivo and in vitro of bael fruit extracts with respect to their pharmacological activities were also discussed in the article. The recent literature based on nutritional and pharmacological values of bael fruit showed its high potential as a food and pharmaceutical product. Despite having high nutritional and pharmacological value, research related to molecular mechanisms of bael fruit is still limited, and clinical trials are needed to ensure its safety as a product in the food and pharma industries.
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Aegle , Alcaloides , Rutaceae , Aegle/química , Antidiarreicos , Antioxidantes/farmacología , Carbohidratos , Suplementos Dietéticos , Ácido Elágico , Flavonoides , Frutas , Hipoglucemiantes/farmacología , Fitoquímicos/química , Fitoquímicos/farmacología , Extractos Vegetales/química , VitaminasRESUMEN
Bacterial cellulose (BC) is recognized as a multifaceted, versatile biomaterial with abundant applications. Groups of microorganisms such as bacteria are accountable for BC synthesis through static or agitated fermentation processes in the presence of competent media. In comparison to static cultivation, agitated cultivation provides the maximum yield of the BC. A pure cellulose BC can positively interact with hydrophilic or hydrophobic biopolymers while being used in the biomedical domain. From the last two decades, the reinforcement of biopolymer-based biocomposites and its applicability with BC have increased in the research field. The harmony of hydrophobic biopolymers can be reduced due to the high moisture content of BC in comparison to hydrophilic biopolymers. Mechanical properties are the important parameters not only in producing green composite but also in dealing with tissue engineering, medical implants, and biofilm. The wide requisition of BC in medical as well as industrial fields has warranted the scaling up of the production of BC with added economy. This review provides a detailed overview of the production and properties of BC and several parameters affecting the production of BC and its biocomposites, elucidating their antimicrobial and antibiofilm efficacy with an insight to highlight their therapeutic potential.
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Antibacterianos/farmacología , Biopolímeros/farmacología , Celulosa/metabolismo , Celulosa/farmacología , Gluconacetobacter xylinus/metabolismo , Antibacterianos/metabolismo , Biopelículas/efectos de los fármacos , Biopelículas/crecimiento & desarrollo , Biopolímeros/química , Escherichia coli/efectos de los fármacos , Interacciones Hidrofóbicas e Hidrofílicas , Nanocompuestos/química , Staphylococcus aureus/efectos de los fármacosRESUMEN
Gold nanoparticles (AuNPs) have been widely explored and are well-known for their medical applications. Chemical and physical synthesis methods are a way to make AuNPs. In any case, the hunt for other more ecologically friendly and cost-effective large-scale technologies, such as environmentally friendly biological processes known as green synthesis, has been gaining interest by worldwide researchers. The international focus on green nanotechnology research has resulted in various nanomaterials being used in environmentally and physiologically acceptable applications. Several advantages over conventional physical and chemical synthesis (simple, one-step approach to synthesize, cost-effectiveness, energy efficiency, and biocompatibility) have drawn scientists' attention to exploring the green synthesis of AuNPs by exploiting plants' secondary metabolites. Biogenic approaches, mainly the plant-based synthesis of metal nanoparticles, have been chosen as the ideal strategy due to their environmental and in vivo safety, as well as their ease of synthesis. In this review, we reviewed the use of green synthesized AuNPs in the treatment of cancer by utilizing phytochemicals found in plant extracts. This article reviews plant-based methods for producing AuNPs, characterization methods of synthesized AuNPs, and discusses their physiochemical properties. This study also discusses recent breakthroughs and achievements in using green synthesized AuNPs in cancer treatment and different mechanisms of action, such as reactive oxygen species (ROS), mediated mitochondrial dysfunction and caspase activation, leading to apoptosis, etc., for their anticancer and cytotoxic effects. Understanding the mechanisms underlying AuNPs therapeutic efficacy will aid in developing personalized medicines and treatments for cancer as a potential cancer therapeutic strategy.
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Antineoplásicos/síntesis química , Antineoplásicos/farmacología , Oro , Tecnología Química Verde , Nanopartículas del Metal , Extractos Vegetales/farmacología , Animales , Antineoplásicos/química , Antineoplásicos/uso terapéutico , Línea Celular Tumoral , Supervivencia Celular/efectos de los fármacos , Fenómenos Químicos , Diagnóstico por Imagen/métodos , Oro/química , Humanos , Nanopartículas del Metal/química , Sistema de Administración de Fármacos con Nanopartículas , Fitoquímicos/química , Extractos Vegetales/química , Nanomedicina Teranóstica/métodosRESUMEN
The dismantling of structural objects during the decommissioning of nuclear facilities needs radioactive source characterisation for the planning of decommissioning strategies in compliance with the ALARA (as low as reasonably achievable) principle. The sources may arise from neutron activation of the structural components in the reactor core as well as contamination due to the radioactive release from the fuel occurred during normal operation or unplanned events in a nuclear power plant (NPP). In a pressurised heavy water reactor (PHWR), various in-core components are predominantly made of either zircaloy-2 or 4. The nuclides present as impurities in the zircaloy, playing a crucial role in the activity inventory due to neutron activation of those nuclides, which in turn determine the external gamma dose rate. The activity of the activation products depend on the neutron flux seen by the component, duration of irradiation and cooling period, half-lives of the daughter products and the amount of the impurities present in the structural components. To illustrate this, a guide tube made up of zircaloy-4 has been considered. A guide tube assembly is a part of the primary shut down system (PSS) which guides the movement of absorber elements in the upward and downward direction in the calandria. This study has identified and quantified the activity inventory in a guide tube at the end of the operation of the reactor using the ORIGEN2 code, and then estimated the associated external gamma dose rate using the FLUKA Monte Carlo code. The findings will help the management of radioactive waste, cost optimisation and collective dose budgeting during the decommissioning stage of a typical PHWR.
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Plantas de Energía Nuclear , Exposición Profesional/normas , Exposición a la Radiación/normas , Protección Radiológica/normas , Circonio/química , Rayos gamma , Residuos Radiactivos , Factores de TiempoRESUMEN
Oxygen removal from high capacity Li-rich layered oxide Li1.17Ni0.17Mn0.5Co0.17O2 affects the charge transfer process during cycling. During de-lithiation, oxygen removal takes place with the reduction in oxygen binding energy. Co substitution affects oxygen removal by shifting the O-p orbital closer to the Fermi energy. A convex hull plot is used to analyse single-phase and two-phase reactions during de-lithiation in Li1.17Ni0.17Mn0.5Co0.17O2 and Li2MnO3. Experimentally, the single-phase and two-phase reactions are identified based on the characteristics of the charge curve. In the charge transfer process more than 80% of lithium charge is transferred to oxygen in both the compounds. Effective charge and cyclic voltammetry reveal the redox centers in the compounds which help to understand the role of oxygen and transition metals in de-lithiation. A detailed explanation of oxygen removal and the charge transfer mechanism of Li1.17Ni0.17Mn0.5Co0.17O2 and Li2MnO3 is provided in the current experimental and density functional theory based study.
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A theoretical and experimental diffusivity study of Li2MnO3 and Li1.17Ni0.17Mn0.67O2 has been carried out to investigate the effect of Mn, Ni and surrounding atoms on Li+ diffusion and to understand how the Li+ diffusion trajectory changes with different charge spheres. It is observed that due to the presence of Ni in Li1.17Ni0.17Mn0.67O2, the activation energy reduces in all the possible diffusion paths, which helps in faster Li+ diffusion. This study brings a new physical insight into Li+ diffusion based on elliptical and straight diffusion trajectories. In Li1.17Ni0.17Mn0.67O2, the Li+ diffusion mechanism in different paths based on 2b, 2c and 4h Wyckoff sites of Li has been discussed. Experimentally, the galvanostatic intermittent titration technique is adopted to identify the diffusion coefficient of Li+. The diffusion coefficient of both the compounds varies in different voltage ranges. For L2MnO3, diffusion varies from 10-11 to 10-13 cm2 s-1, whereas for Li1.17Ni0.17Mn0.67O2, diffusion varies from 10-9 to 10-11 cm2 s-1 in the voltage range of 3.7-4.7 V.
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A double layer δ-NH4V4O10, due to its high energy storage capacity and excellent rate capability, is a very promising cathode material for Li-ion and Na-ion batteries for large-scale renewable energy storage in transportation and smart grids. While it possesses better stability, and higher ionic and electronic conductivity than the most widely explored V2O5, the mechanisms of its cyclability are yet to be understood. Here, we present a theoretical cyclic voltammetry as a tool based on first-principles calculations, and uncover structural transformations that occur during Li(+)/Na(+) insertion (x) into (Lix/Nax)NH4V4O10. Structural distortions associated with single-phase and multi-phase structural changes during the insertion of Li(+)/Na(+), identified through the analysis of voltage profile and theoretical cyclic voltammetry are in agreement with the reported experimental electrochemical measurements on δ-NH4V4O10. We obtain an insight into its electronic structure with a lower band gap that is responsible for the high rate capability of (Lix/Nax) δ-NH4V4O10. The scheme of theoretical cyclic voltammetry presented here will be useful for addressing issues of cyclability and energy rate in other electrode materials.
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Medicinal or herbal spices are grown in tropical moist evergreen forestland, surrounding most of the tropical and subtropical regions of Eastern Himalayas in India (Sikkim, Darjeeling regions), Bhutan, Nepal, Pakistan, Iran, Afghanistan, a few Central Asian countries, Middle East, USA, Europe, South East Asia, Japan, Malaysia, and Indonesia. According to the cultivation region surrounded, economic value, and vogue, these spices can be classified into major, minor, and colored tropical spices. In total, 24 tropical spices and herbs (cardamom, black jeera, fennel, poppy, coriander, fenugreek, bay leaves, clove, chili, cassia bark, black pepper, nutmeg, black mustard, turmeric, saffron, star anise, onion, dill, asafoetida, celery, allspice, kokum, greater galangal, and sweet flag) are described in this review. These spices show many pharmacological activities like anti-inflammatory, antimicrobial, anti-diabetic, anti-obesity, cardiovascular, gastrointestinal, central nervous system, and antioxidant activities. Numerous bioactive compounds are present in these selected spices, such as 1,8-cineole, monoterpene hydrocarbons, γ-terpinene, cuminaldehyde, trans-anethole, fenchone, estragole, benzylisoquinoline alkaloids, eugenol, cinnamaldehyde, piperine, linalool, malabaricone C, safrole, myristicin, elemicin, sinigrin, curcumin, bidemethoxycurcumin, dimethoxycurcumin, crocin, picrocrocin, quercetin, quercetin 4'-O-ß-glucoside, apiol, carvone, limonene, α-phellandrene, galactomannan, rosmarinic acid, limonene, capsaicinoids, eugenol, garcinol, and α-asarone. Other than that, various spices are used to synthesize different types of metal-based and polymer-based nanoparticles like zinc oxide, gold, silver, selenium, silica, and chitosan nanoparticles which provide beneficial health effects such as antioxidant, anti-carcinogenic, anti-diabetic, enzyme retardation effect, and antimicrobial activity. The nanoparticles can also be used in environmental pollution management like dye decolorization and in chemical industries to enhance the rate of reaction by the use of catalytic activity of the nanoparticles. The nutritional value, phytochemical properties, health advantages, and both traditional and modern applications of these spices, along with their functions in food fortification, have been thoroughly discussed in this review.
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Antiinfecciosos , Diabetes Mellitus , Humanos , Eugenol , Antioxidantes/farmacología , Limoneno , Quercetina , Alimentos Fortificados , Antiinfecciosos/farmacología , NanotecnologíaRESUMEN
Palm sap sugar is a sweetener which is made from the sap or nectar collected from different varieties/species of palm trees. It has huge scope as an alternative sweetener in Indian market. It is a natural alternative to unhealthy cane sugar and is more beneficial for farmers as well. Some of its characteristic features are low GI value and its macro (Glucose: 0.49-86.90 g/100 ml, Fructose: 0.26-1.61, Sucrose: 5.30-27.00 g/100 ml) and micro (K: 65.28-1326.0, Na: 2.85-117.5, Mg: 0.54-31.00, Ca: 0.24-79.00 mg/100 ml) nutritional content. Palm sugar also has impact on colour, aroma and taste profile of the final product. The taste, sensory profile and nutritional attributes of palm sugar vary on the basis of its species, region of growth and climatic conditions. At present, traditional processing of palm sap leads to lower yield and higher expenses. There is huge potential in the field of development in processing techniques (Traditional processing, spray drying, membrane technology, and vacuum drying) to optimize the production of palm sugar. Palm sugar and other products from different parts of palm can be used to make a variety of other value-added products like toffees, chocolates, cola, toddy wine, candy, and palm vinegar etc. The purpose of this review paper is to summarise the composition of palm sap, distinctive qualities of the extracted sap, various production procedures, nutritional and physico-chemical properties of palm sugar, and the development of functional foods using palm sugar.
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Fruit seeds are leftovers from a variety of culinary sectors. They are generally unutilized and contribute greatly to global disposals. These seeds not only possess various nutritional attributes but also have many heath-beneficial properties. One way to make use of these seeds is to extract their bioactive components and create fortified food items. Nowadays, researchers are highly interested in creating innovative functional meals and food components from these unconventional resources. The main objective of this manuscript was to determine the usefulness of seed powder from 70 highly consumed fruits, including Apple, Apricot, Avocado, Banana, Blackberry, Blackcurrant, Blueberry, Cherry, Common plum, Cranberry, Gooseberry, Jackfruit, Jamun, Kiwi, Lemon, Mahua, Mango, Melon, Olive, Orange, and many more have been presented. The nutritional attributes, phytochemical composition, health advantages, nanotechnology applications, and toxicity of these fruit seeds have been fully depicted. This study also goes into in-depth detailing on creating useful food items out of these seeds, such as bakery goods, milk products, cereal-based goods, and meat products. It also identifies enzymes purified from these seeds along with their biochemical applications and any research openings in this area.
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The enzyme endoglucanase is responsible for the depolymerization of cellulose. This study focuses on characterization and purification of endoglucanase from Rhizopus oryzae MTCC 9642 through a simple size exclusion method and its effective application as an antibiofilm agent. Extracellular ß-1,4-endoglucanase, an enzyme that catalyzes the hydrolysis of carboxymethyl cellulose, was found to be synthesized by Rhizopus oryzae MTCC 9642. The enzyme was purified up to homogeneity simply by size exclusion process through ultrafiltration and gel chromatography. The molecular weight of purified enzyme protein was estimated to be 39.8 kDa and it showed the highest substrate affinity towards carboxymethyl-cellulose with Km and Vmax values of 0.833 mg ml-1 and of 0.33 mmol glucose min-1 mg-1protein, respectively. The purified enzyme exhibited optimal activity at pH 6 with a broad stability range of pH 3-8. The most preferred temperature was 35 °C and 50% of activity could be retained after the thermal exposure at 40 °C for 25 min. The purified enzyme protein was inactivated by Cu2+, while the activity could be enhanced by the addition of exogenous thiols. Since biofilm is a challenge for health sector, with the aim of eradicating the biofilm, the purified endoglucanase was used to remove biofilm produced by two nosocomial bacteria. As predicted by in silico molecular docking interaction, the purified enzyme could effectively degrade biofilm architecture of bacterial strains S. aureus and P. aeruginosa by 76.52 ± 6.52% and 61.67 ± 8.76%, respectively. The properties of purified enzyme protein, as elucidated by in vitro and in silico characterization, may be favourable for its commercial applications as a potent antibiofilm agent.
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Celulasa , Rhizopus oryzae , Celulasa/metabolismo , Simulación del Acoplamiento Molecular , Staphylococcus aureus , Temperatura , Celulosa/metabolismo , Concentración de Iones de Hidrógeno , Estabilidad de Enzimas , Especificidad por Sustrato , Rhizopus/metabolismoRESUMEN
The upregulation of HDAC1 facilitate the induction of epigenetic repression of genes responsible for suppressing tumourigenesis, thereby triggering the development of cancer. HDAC1 inhibitors have thus emerged as possible therapeutic approaches against a variety of human malignancies, as they can inhibit the activity of certain HDACs, repair the overexpression of tumour suppressor genes, and induce cell differentiation, cell cycle arrest, and apoptosis. In this study, among 810 virtually screened compounds, Pinocembrin (PHUB000396) had a significant binding affinity (-7.99 kcal/mol). In molecular dynamics simulation (MD) studies for 200 ns time scale, the compound Pinocembrin effectively undergoes conformational optimization, thereby enabling its accommodation within the active site of the receptor. This outcome serves as a rational for the observed binding affinity. The optimal binding free energy calculations using the Molecular Mechanics Generalized Born Surface Area (MM-GBSA) (-35.86 ± 7.52 kcal/mol) showed the significant role of van der Waals forces and Coulomb interactions in the stability of the respective complex. The pharmacokinetic study showed its potential as a lead compound. The in-silico cytotoxicity prediction also confirmed its potential as an active anticancer phytocompound in lung and brain cancer. Therefore, it can be predicted that Pinocembrin could be a useful bioactive compound as an HDAC1 inhibitor and could be used in developing epigenetic therapy in cancer such as brain cancer and lung cancer to regulate gene expression.