An Advanced Machine Learning Based Energy Management of Renewable Microgrids Considering Hybrid Electric Vehicles’ Charging Demand

Renewable microgrids are new solutions for enhanced security, improved reliability and boosted power quality and operation in power systems. By deploying different sources of renewables such as solar panels and wind units, renewable microgrids can enhance reducing the greenhouse gasses and improve the efficiency. This paper proposes a machine learning based approach for energy management in renewable microgrids considering a reconfigurable structure based on remote switching of tie and sectionalizing. The suggested method considers the advanced support vector machine for modeling and estimating the charging demand of hybrid electric vehicles (HEVs). In order to mitigate the charging effects of HEVs on the system, two different scenarios are deployed; one coordinated and the other one intelligent charging. Due to the complex structure of the problem formulation, a new modified optimization method based on dragonfly is suggested. Moreover, a self-adaptive modification is suggested, which helps the solutions pick the modification method that best fits their situation. Simulation results on an IEEE microgrid test system show its appropriate and efficient quality in both scenarios. According to the prediction results for the total charging demand of the HEVs, the mean absolute percentage error is 0.978, which is very low. Moreover, the results show a 2.5% reduction in the total operation cost of the microgrid in the intelligent charging compared to the coordinated scheme

Metabolomic profile, anti-trypanosomal potential and molecular docking studies of <i>Thunbergia grandifolia</i>

Trypanosomiasis is a protozoan disease transmitted via Trypanosoma brucei. This study aimed to examine the metabolic profile and anti-trypanosomal effect of methanol extract of Thunbergia grandifolia leaves. The liquid chromatography-high resolution electrospray ionisation mass spectrometry (LC-HRESIMS) revealed the identification of fifteen compounds of iridoid, flavonoid, lignan, phenolic acid, and alkaloid classes. The extract displayed a promising inhibitory activity against T. brucei TC 221 with MIC value of 1.90 μg/mL within 72 h. A subsequent in silico analysis of the dereplicated compounds (i.e. inverse docking, molecular dynamic simulation, and absolute binding free energy) suggested both rhodesain and farnesyl diphosphate synthase as probable targets for two compounds among those dereplicated ones in the plant extract (i.e. diphyllin and avacennone B). The absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiling of diphyllin and avacennone were calculated accordingly, where both compounds showed acceptable drug-like properties. This study highlighted the antiparasitic potential of T. grandifolia leaves

Synthesis and Biological Evaluation of Some New Thiazolodiazepine Analogues as CNS Active Agents

PhDThe ultra‐short ac ng ac vity of ethyl 8‐oxo‐5,6,7,8‐tetrahydro‐thiazolo[3,2‐a] [1,3]diazepin‐3‐carboxylate (HIE‐124, 12), as a member of a novel class, which might overcome many of the disadvantages and problems that usually associated the use of thiopental or benzodiazepines as intravenous anesthetic agents has been reported. The present investigation is directed toward the synthesis of new derivatives of the parent thiazolo[3,2‐a][1,3]diazepine (HIE‐124, 12), in continuation to the previous patented efforts in this area. These derivatives possess the potential to exhibit a promising and varying range of CNS activities, including, among others, hypnotic and anticonvulsant activities. The proposed compounds were synthesized according to the designed strategy. Structure elucidation of the synthesized intermediates and final products was attained by the aid of IR, 1H, 13C NMR, and mass spectrometry. The synthesized compounds were evaluated for various CNS activities. The new analogues Ethyl 3‐methyl‐8‐oxo‐5,6,7,8‐tetrahydro‐thiazolo[3,2‐a] [1,3]diazepine‐2‐carboxylate (35) and 2‐Bromo‐3‐methyl‐6,7‐dihydro‐thiazolo[3,2‐a] [1,3]diazepin‐8(5H)‐one (40) showed marginal hypnotic potency compared to what was reported about the parent compound HIE‐124 (12). Biological screening results allowed the allocation of two potent anticonvulsant agents worth patency. Compounds 35 and 40 proved to be the most active compounds in the present inves ga on as an convulsants with remarkable 100% protec on against PTZ induced convulsions as compared with the standard drug valproic acid. It is worth mentioning that compounds 35 (0.78 mmole/kg) and 40 (0.39 mmole/kg) proved to be almost two and four fold more ac ve, respec vely; than the used posi ve control sodium valproate (1.38 mmole/kg). Structure activity correlation of the obtained results revealed that, CNS activity is embedded in the structure core (8‐oxo‐5,6,7,8‐tetrahydro‐thiazolo[3,2‐a][1,3]diazepine) of the investigated compounds. Structure activity relationships (SAR) were deduced from the obtained data. These studied 8‐oxo‐5,6,7,8‐tetrahydro‐thiazolo[3,2‐a][1,3]diazepine analogues could be considered as useful templates for future development and further derivatization or modification to obtain more potent CNS active compounds

Synthesis, Biological Evaluation and 2D-QSAR Study of Halophenyl Bis-Hydrazones as Antimicrobial and Antitubercular Agents

In continuation of our endeavor towards the development of potent and effective antimicrobial agents, three series of halophenyl bis-hydrazones (14a–n, 16a–d, 17a and 17b) were synthesized and evaluated for their potential antibacterial, antifungal and antimycobacterial activities. These efforts led to the identification of five molecules 14c, 14g, 16b, 17a and 17b (MIC range from 0.12 to 7.81 μg/mL) with broad antimicrobial activity against Mycobacterium tuberculosis; Aspergillus fumigates; Gram positive bacteria, Staphylococcus aureus, Streptococcus pneumonia, and Bacillis subtilis; and Gram negative bacteria, Salmonella typhimurium, Klebsiella pneumonia, and Escherichia coli. Three of the most active compounds, 16b, 17a and 17b, were also devoid of apparent cytotoxicity to lung cancer cell line A549. Amphotericin B and ciprofloxacin were used as references for antifungal and antibacterial screening, while isoniazid and pyrazinamide were used as references for antimycobacterial activity. Furthermore, three Quantitative Structure Activity Relationship (QSAR) models were built to explore the structural requirements controlling the different activities of the prepared bis-hydrazones

The Antioxidant and Enzyme Inhibitory Potential of <i>n</i>-Hexane-Extracted Oils Obtained from Three Egyptian Cultivars of the Golden Dewdrop <i>Duranta erecta</i> Linn. Supported by Their GC-MS Metabolome Analysis and Docking Studies

Duranta erecta Linn. has a longstanding history for use in folk remedy for several disorders. Its hydroalcoholic extract has been investigated intensely in the treatment of many ailments, but to date very few data are presented to explain the pharmacological use of its oil. In this study, the chemical profiles of the leaf oils extracted from three Egyptian Duranta erecta cultivars, namely ‘Green’, ‘Golden edge’, and ‘Variegata’ are traced using GC-MS analysis. D. erecta ‘Green’ showed predominance of vitamin E (22.7%) and thunbergol (15%) whereas D. erecta ‘Golden edge’ and ‘Variegata’ contained tetratetracontane as a major component in their oils. The highest phenolic and flavonoid contents, displayed as gallic acid and rutin equivalents per gram oil, respectively, were observed in the ‘Golden edge’ and ‘Variegata’ cultivars, which was reflected by their strong DPPH and ABTS scavenging activities as well as the highest reducing power in both CUPRAC and FRAP assays. D. erecta ‘Green’ displayed better metal chelating potential, which may be attributed to its content of vitamin E. All cultivars showed similar enzyme inhibitory profiles. The best inhibition of α-glucosidase and α-amylase was observed by D. erecta ‘Green’. In silico studies of the major constituents docked on the active sites of the target enzymes NADPH oxidase, amylase, glucosidase, butyrylcholinesterase, and tyrosinase revealed high binding scores, which justified the biological activities of the tested oils

Novel 3-(6-methylpyridin-2-yl)coumarin-based chalcones as selective inhibitors of cancer-related carbonic anhydrases IX and XII endowed with anti-proliferative activity.

Carbonic anhydrases (CAs) are one of the promising targets for the development of anticancer agents. CA isoforms are implicated in various physiological processes and are expressed in both normal and cancerous cells. Thus, non-isoform selective inhibitors are associated with several side effects. Consequently, designing selective inhibitors towards cancer-related hCA IX/XII rather than the ubiquitous cytosolic isozymes hCA I and II is the main research objective in the field. Herein, a new series of 3-(6-methylpyridin-2-yl)coumarin derivatives 3 and 5a-o was designed and synthesised. The CA inhibition activities for the synthesised coumarins were analysed on isoforms hCA I, II, IX, and XII. Interestingly, both cancer-linked isoforms hCA IX/XII were inhibited by the prepared coumarins with inhibition constants ranging from sub- to low-micromolar range, whereas hCA I and II isoforms haven't been inhibited up to 100 µM. Furthermore, the target coumarins were assessed for their antitumor activity on NCI-59 human cancer types

GC/MS Profiling, Anti-Collagenase, Anti-Elastase, Anti-Tyrosinase and Anti-Hyaluronidase Activities of a Stenocarpus sinuatus Leaves Extract

Today, skin care products and cosmetic preparations containing natural ingredients are widely preferred by consumers. Therefore, many cosmetic brands are encouraged to offer more natural products to the market, such as plant extracts that can be used for their antiaging, antiwrinkle, and depigmentation properties and other cosmetic purposes. In the current study, the volatile constituents of the hexane-soluble fraction of a Stenocarpus sinuatus (family Proteaceae) leaf methanol extract (SSHF) were analyzed using GC/MS analysis. Moreover, the antiaging activity of SSHF was evaluated through in vitro studies of anti-collagenase, anti-elastase, anti-tyrosinase, and anti-hyaluronidase activities. In addition, an in silico docking study was carried out to identify the interaction mechanisms of the major compounds in SSHF with the active sites of the target enzymes. Furthermore, an in silico toxicity study of the identified compounds in SSHF was performed. It was revealed that vitamin E (&alpha;-tocopherol) was the major constituent of SSHF, representing 52.59% of the extract, followed by &gamma;-sitosterol (8.65%), neophytadiene (8.19%), &beta;-tocopherol (6.07%), and others. The in vitro studies showed a significant inhibition by SSHF of collagenase, elastase, tyrosinase, and hyaluronidase, with IC50 values of 60.03, 177.5, 67.5, and 38.8 &micro;g/mL, respectively, comparable to those of the positive controls epigallocatechin gallate (ECGC, for collagenase, elastase, hyaluronidase) and kojic acid (for tyrosinase). Additionally, the molecular docking study revealed good acceptable binding scores of the four major compounds, comparable to those of ECGC and kojic acid. Besides, the SSHF identified phytoconstituents showed no predicted potential toxicity nor skin toxicity, as determined in silico. In conclusion, the antiaging potential of SSHF may be attributed to its high content of vitamin E in addition to the synergetic effect of other volatile constituents. Thus, SSHF could be incorporated in pharmaceutical skin care products and cosmetics after further studies