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2022 ◽  
Vol 12 (1) ◽  
Author(s):  
Takashi Asaeda ◽  
Mizanur Rahman ◽  
Helayaye Damitha Lakmali Abeynayaka

AbstractThe effect of combined stresses, photoinhibition, and nutrient depletion on the oxidative stress of cyanobacteria was measured in laboratory experiments to develop the biomass prediction model. Phormidium ambiguum was exposed to various photosynthetically active radiation (PAR) intensities and phosphorous (P) concentrations with fixed nitrogen concentrations. The samples were subjected to stress assays by detecting the hydrogen peroxide (H2O2) concentration and antioxidant activities of catalase (CAT) and superoxide dismutase (SOD). H2O2 concentrations decreased to 30 µmol m−2 s−1 of PAR, then increased with higher PAR intensities. Regarding P concentrations, H2O2 concentrations (nmol L−1) generally decreased with increasing P concentrations. SOD and CAT activities were proportionate to the H2O2 protein−1. No H2O2 concentrations detected outside cells indicated the biological production of H2O2, and the accumulated H2O2 concentration inside cells was parameterized with H2O2 concentration protein−1. With over 30 µmol m−2 s−1 of PAR, H2O2 concentration protein−1 had a similar increasing trend with PAR intensity, independently of P concentration. Meanwhile, with increasing P concentration, H2O2 protein−1 decreased in a similar pattern regardless of PAR intensity. Protein content decreased with gradually increasing H2O2 up to 4 nmol H2O2 mg−1 protein, which provides a threshold to restrict the growth of cyanobacteria. With these results, an empirical formula—protein (mg L−1) = − 192*Log((H2O2/protein)/4.1), where H2O2/protein (nmol mg−1) = − 0.312*PAR2/(502 + PAR2)*((25/PAR)4 + 1)*Log(P/133,100), as a function of total phosphorus concentration, P (µg L−1)—was developed to obtain the cyanobacteria biomass.


Author(s):  
RAMESH SHINDE ◽  
MALARKODI VELRAJ

Objective: The proposed work was aimed at optimization, formulation, and characterization of transdermal patches of eplerenone for efficient transdermal delivery of the drug. Methods: The log p estimation of eplerenone is 1.34, it was closer to standard worth. Log P value in a range of 1 to 4 indicates higher permeation through the skin. FTIIR study was carried out individually for drug, each polymer, and finished product (Patches) compared eplerenone and FTIR spectra of pure drug and polymer. The calibration curve of eplerenone in Phosphate buffer pH 6.8 was analyzed. Results: The selected range of eplerenone was found to be linear. A regression coefficient (R2) at 245 nm was found to be 0.994. Drug content outcomes additionally discovered uniform in all clusters in a range of 97 % to 98 %, that batches arranged with ERS 100 show great mechanical properties contrast with different polymers however helpless glue properties. The flatness of 4 cm2 patches ranges from 348±0.087 mg to 387±0.527 mg. skin irritation it was produced irritation with negligible erythema following 10 d and unequivocal erythema, promptly obvious edema was produced following 12 d. Conclusion: These after-effects of the in vivo skin irritation study recommended that advanced batch S9 doesn't show any kind of significant disturbance on rodent skin for as long as 14 d and it was securely utilized around 24 h. the optimized batch S9 drug was constantly discharged through the Wistar rodent skin up to 16 hr and the delivery design was like an in vitro dissolution profile of the market product.


2021 ◽  
Vol 10 ◽  
Author(s):  
Saba Albetawi ◽  
Amer Abdalhafez ◽  
Ala Abu-Zaid

: Repaglinide is an antidiabetic drug that works by stimulating insulin secretion from pancreatic beta cells. Repaglinide is practically insoluble in water with a water solubility of 34 µg/mL at 37 ˚C, and it has a high absorption rate from the gastrointestinal tract following oral administration since the log P value of repaglinide is 3.97. The low aqueous solubility and the high permeability of repaglinide represent a typical behavior for drugs that belong to class II Biopharmaceutical Classification System (BCS II). Managing type-2 diabetes mellitus with repaglinide is considered a burdensome therapy, as it requires frequent dosing of repaglinide before each meal to maintain its therapeutic plasma concentration due to its short plasma half-life of approximately one hour. Hence the present review aims to discuss thoroughly the various approaches investigated in recent years to develop drug delivery systems that improve oral delivery of repaglinide, including nanoemulsions, solid lipid nanoparticles, nanostructured lipid carriers, sustained-release hydrophilic matrix, floating microspheres, and nanocomposites.


2021 ◽  
Vol 12 (6) ◽  
pp. 8492-8501

SARS-CoV-2 (Covid 19) continues to be a great threat to lives globally as it causes illnesses such as the common cold, severe acute respiratory syndrome and spreads easily among people. In this work, thirteen molecular compounds were studied via quantum chemical calculations, molecular docking, and dynamic simulation, and ADMET (absorption, distribution, metabolism, excretion, and toxicity). The obtained descriptors (Log P, HBA, HBD, and molecular weight) showed that the studied compounds have the ability to act as a drug. Thus, it was detected that all the studied selected compounds possess a better tendency to inhibit main coronavirus protease; however, compound C1 has a higher tendency to inhibit main coronavirus protease than the other compounds, including the standard (Chloroquine). ADMET properties of compound C1 proved that the predicted ADMET level was better than the ADMET properties of the referenced drug.


Author(s):  
Mojtaba Delfanian ◽  
M. A. Sahari ◽  
Mohsen Barzegar ◽  
Hassan Ahmadi Gavlighi ◽  
Francisco Jose Barba

From an interfacial phenomena standpoint, the effect of length of alkyl chain was evaluated on activities of gallic acid and its alkyl ester derivatives in supramolecular oxidation of stripped soybean oil. The gallic acid molecules (log P = -0.47) with an electron-donating carboxylate anion had a higher scavenging activity against DPPH• than alkyl gallates. Interfacial activities of gallates in emulsion and bulk oil improved as the lengths of the alkyl chain were reached until a critical chain length; after that, further chain length extension causes a decrease in potency. In β-carotene bleaching and Rancimat assays higher inhibitory effect was observed for dodecyl and propyl gallate, respectively. Evaluation of interfacial tension, water content, and droplet size of hydroperoxides reverse micelles in parallel with lipid peroxidation indicated that the inhibitory effect of the alkyl gallates, especially methyl gallate, was significantly better than the gallic acid in the bulk phase oil.


2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Phattaraporn Morris ◽  
Ribia García-Arrazola ◽  
Leonardo Rios-Solis ◽  
Paul A. Dalby

AbstractTransketolase (TK) has been previously engineered, using semi-rational directed evolution and substrate walking, to accept increasingly aliphatic, cyclic, and then aromatic substrates. This has ultimately led to the poor water solubility of new substrates, as a potential bottleneck to further exploitation of this enzyme in biocatalysis. Here we used a range of biophysical studies to characterise the response of both E. coli apo- and holo-TK activity and structure to a range of polar organic co-solvents: acetonitrile (AcCN), n-butanol (nBuOH), ethyl acetate (EtOAc), isopropanol (iPrOH), and tetrahydrofuran (THF). The mechanism of enzyme deactivation was found to be predominantly via solvent-induced local unfolding. Holo-TK is thermodynamically more stable than apo-TK and yet for four of the five co-solvents it retained less activity than apo-TK after exposure to organic solvents, indicating that solvent tolerance was not simply correlated to global conformational stability. The co-solvent concentrations required for complete enzyme inactivation was inversely proportional to co-solvent log(P), while the unfolding rate was directly proportional, indicating that the solvents interact with and partially unfold the enzyme through hydrophobic contacts. Small amounts of aggregate formed in some cases, but this was not sufficient to explain the enzyme inactivation. TK was found to be tolerant to 15% (v/v) iPrOH, 10% (v/v) AcCN, or 6% (v/v) nBuOH over 3 h. This work indicates that future attempts to engineer the enzyme to better tolerate co-solvents should focus on increasing the stability of the protein to local unfolding, particularly in and around the cofactor-binding loops.


2021 ◽  
Vol 3 (2) ◽  
pp. 1-8
Author(s):  
Shapovalov S.A ◽  

The ability of rhodamine cations to form cation-anionic associates with tetraphenylborate-anion in an aqueous solution has been studied. The thermodynamic values of the equilibrium association constants Kasт were determined spectrophotometrically. The values of a number of properties of dye molecules (surface area, effective volume, hydrophobicity index log P, standard enthalpy of hydration ΔНohydr) were calculated using the QSAR model. The possibility of dependence of the value of Kasт on these factors has been reviewed. It was shown that changes in lg Kasт in the series of rhodamine associates are consistent with changes in the parameters log P and ΔНohydr.


2021 ◽  
Vol 12 (6) ◽  
pp. 7469-7477

Tuberculosis is an airborne communicable syndrome, which has been observed to be among the top ten (10) causes of death worldwide. This work studied eleven molecular compounds via quantum chemical calculations, molecular docking method, and ADMET (absorption, distribution, metabolism, excretion, and toxicity). The selected obtained descriptors (Log P, HBA, HBD, and molecular weight) showed that the studied compounds have the ability to act drug-like. Compound D inhibited far better than the other studied ligands as well as the standard. ADMET properties of compound D proved that the predicted ADMET level was closer to the ADMET properties of the referenced drug (Isoniazid).


2021 ◽  
Vol 188 (12) ◽  
Author(s):  
Konrad Rudnicki ◽  
Karolina Sobczak ◽  
Magdalena Kaliszczak ◽  
Karolina Sipa ◽  
Emilia Powałka ◽  
...  

AbstractThe electrochemical behavior of cefotaxime (CTX+) was investigated at the polarized macro- and micro-interface between two immiscible electrolyte solutions (ITIES) by cyclic voltammetry and alternating current voltammetry. Miniaturization was achieved with fused silica microcapillary tubing entrapped in a polymeric casing. Scanning electron microscopy (SEM) was employed for the fabricated LLI support characterization. Voltammetric investigation of CTX+ at macro- and μ-ITIES allowed the determination of many physicochemical parameters, such as formal Galvani potential of the ion transfer reaction ($${\Delta }_{org}^{aq}{\varPhi}^{\prime }$$ Δ org aq Φ ′ ), diffusion coefficients (D), formal free Gibbs energy of the ion transfer reaction (∆G′aq → org), and water-1,2-dichloroethane partition coefficient ($${\log}{P}_{water/ DCE}^{CTX+}$$ log P w a t e r / D C E C T X + ). Additionally, based on the results obtained the analytical parameters including voltammetric sensitivity, limits of detection and the limits of quantification (in micromolar range) were calculated. The applicability of the developed procedures was verified in spiked still mineral and tap water samples. Graphical abstract


Cells ◽  
2021 ◽  
Vol 10 (11) ◽  
pp. 3076
Author(s):  
Chandra Bhan Yadav ◽  
Rakesh K. Srivastava ◽  
Prakash I. Gangashetty ◽  
Rama Yadav ◽  
Luis A. J. Mur ◽  
...  

As efforts are made to increase food security, millets are gaining increasing importance due to their excellent nutritional credentials. Among the millets, pearl millet is the predominant species possessing several health benefiting nutritional traits in its grain that are helpful in mitigating chronic illnesses such as type−2 diabetes and obesity. In this paper, we conducted metabolomic fingerprinting of 197 pearl millet inbred lines drawn randomly from within the world collection of pearl millet germplasm and report the extent of genetic variation for health benefitting metabolites in these genotypes. Metabolites were extracted from seeds and assessed using flow infusion high-resolution mass spectrometry (FIE-HRMS). Metabolite features (m/z), whose levels significantly differed among the germplasm inbred lines, were identified by ANOVA corrected for FDR and subjected to functional pathway analysis. A number of health-benefiting metabolites linked to dietary starch, antioxidants, vitamins, and lipid metabolism-related compounds were identified. Metabolic genome-wide association analysis (mGWAS) performed using the 396 m/z as phenotypic traits and the 76 K SNP as genotypic variants identified a total of 897 SNPs associated with health benefiting nutritional metabolite at the -log p-value ≤ 4.0. From these associations, 738 probable candidate genes were predicted to have an important role in starch, antioxidants, vitamins, and lipid metabolism. The mGWAS analysis focused on genes involved in starch branching (α-amylase, β-amylase), vitamin-K reductase, UDP-glucuronosyl, and UDP-glucosyl transferase (UGTs), L-ascorbate oxidase, and isoflavone 2′-monooxygenase genes, which are known to be linked to increases in human health benefiting metabolites. We demonstrate how metabolomic, genomic, and statistical approaches can be utilized to pinpoint genetic variations and their functions linked to key nutritional properties in pearl millet, which in turn can be bred into millets and other cereals crops using plant breeding methods.


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