- Physiochemical Properties of Wheat Bran and Related Application Challenges

<div>A variety of fields would benefit from accurate pK<sub>a</sub> predictions, especially drug design due to the affect a change in ionization state can have on a molecules physiochemical properties.</div><div>Participants in the recent SAMPL6 blind challenge were asked to submit predictions for microscopic and macroscopic pK<sub>a</sub>s of 24 drug like small molecules.</div><div>We recently built a general model for predicting pK<sub>a</sub>s using a Gaussian process regression trained using physical and chemical features of each ionizable group.</div><div>Our pipeline takes a molecular graph and uses the OpenEye Toolkits to calculate features describing the removal of a proton.</div><div>These features are fed into a Scikit-learn Gaussian process to predict microscopic pK<sub>a</sub>s which are then used to analytically determine macroscopic pK<sub>a</sub>s.</div><div>Our Gaussian process is trained on a set of 2,700 macroscopic pK<sub>a</sub>s from monoprotic and select diprotic molecules.</div><div>Here, we share our results for microscopic and macroscopic predictions in the SAMPL6 challenge.</div><div>Overall, we ranked in the middle of the pack compared to other participants, but our fairly good agreement with experiment is still promising considering the challenge molecules are chemically diverse and often polyprotic while our training set is predominately monoprotic.</div><div>Of particular importance to us when building this model was to include an uncertainty estimate based on the chemistry of the molecule that would reflect the likely accuracy of our prediction. </div><div>Our model reports large uncertainties for the molecules that appear to have chemistry outside our domain of applicability, along with good agreement in quantile-quantile plots, indicating it can predict its own accuracy.</div><div>The challenge highlighted a variety of means to improve our model, including adding more polyprotic molecules to our training set and more carefully considering what functional groups we do or do not identify as ionizable. </div>

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Physiochemical properties and antioxidant potential of Persea Americana seed oil

10.31221/osf.io/jtf4s ◽

2019 ◽

Author(s):

Chem Int

Keyword(s):

Seed Oil ◽

Antioxidant Activities ◽

Radical Scavenging ◽

Reducing Power ◽

Acid Value ◽

Persea Americana ◽

Antioxidant Potential ◽

Physiochemical Properties ◽

Physiochemical Parameters ◽

Ic50 Value

Oil extracted from Persea Americana seed was assayed for its physiochemical properties and antioxidant potential using various standard methods. The oil content of the seed was found to be < 10%. Brownish-red color oil was liquid at room temperature, with specific gravity of 0.91±0.02 g/mL. Other physiochemical parameters determined were; acid value (4.51±0.08 mgKOH/g), %FFA (2.26±0.08), peroxide value (2.40±0.57 mgO2/Kg), ester value (31.26±0.03 mgKOH/g), saponification value (35.76±0.07 mgKOH/g) and iodine value (23.5±0.07). The results of the antioxidant activities of the seed oil showed that the flavonoid content (80.00±1.41 mgQE/g) was ~10 folds higher than the phenolic content (8.27±0.06 mgGAE/g). The DPPH radical scavenging value was found to be 51.54±0.25% with an IC50 value of 4.68±0.02 mg/mL and reducing power with an average absorbance of 0.85±0.01 and an IC50 value of 0.001±0.02 mg/mL. Gallic acid showed better antioxidant activities than the oil studied. The results obtained in this study showed that Persea Americana seed oil has nutritional, industrial as well as medicinal potentials.

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Physiochemical Properties of Hydroxy Mixed Ether HMEnSurfactants and their Interaction with Sodium Dodecyl Sulfate SDS

Tenside Surfactants Detergents ◽

10.3139/113.110013 ◽

2009 ◽

Vol 46 (2) ◽

pp. 105-111 ◽

Cited By ~ 1

Author(s):

R. Abdel-Rahem ◽

A. S. Ayesh

Keyword(s):

Sodium Dodecyl Sulfate ◽

Sodium Dodecyl ◽

Physiochemical Properties ◽

Dodecyl Sulfate

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Cultivation and Harvesting of Selenium-Enriched Ganoderma lingzhi and Spent Medium Using Kudzu Vine as Substrate

Current Topics in Nutraceutical Research ◽

10.37290/ctnr2641-452x.18:152-157 ◽

2019 ◽

Vol 18 (2) ◽

pp. 152-157

Author(s):

Zeng Xianlu ◽

Han Fei ◽

Zhong Yanmei

Keyword(s):

Growth Medium ◽

Wheat Bran ◽

Fruiting Body ◽

Sodium Selenite ◽

Human Consumption ◽

Growth Substrate ◽

Organic Selenium ◽

Significant Difference ◽

Ganoderma Lingzhi ◽

Run Speed

In order to harvest selenium-enriched fruiting body and spores of Ganoderma lingzhi and spent medium, G. lingzhi was cultivated in kudzu vine as substrate and the bio-transformation of selenite was evaluated. The growth medium consisted of Kudzu vine supplemented with 20% wheat bran or sawdust or none. The growth medium was supplemented with 0, 10, 20, 30, and 50 mg/kg of sodium selenite. We found a significant difference in spawn run speed, fruiting body and spore yields when Kudzu vine was supplemented with wheat bran or sawdust. However, when whole-kudzu vine was used alone as substrate, it resulted in a significantly lower spawn run speed, fruiting body, and spore yields compared with kudzu vine + sawdust substrate and kudzu vine + wheat bran substrate. The selenium content in fruiting body and spores increased with increasing sodium selenite supplementation and approximately equaled half of the selenium in the substrate. No selenite was detected in both the fruiting body and spores. However, in the spent medium when sodium selenite was supplemented at 10, 20, 30, 50 mg/kg, the residual selenite concentration decreased to 0.45, 0.72, 1.29, and 1.95 mg/kg, respectively, suggesting a higher selenite transformation (92.27–93.57%). In conclusion, if Ganoderma fruiting body and spores were to be harvested for human consumption, approximately 50 mg/kg selenite should be added to the growth substrate. On the other hand, if the spent medium was to be used as an organic selenium source, the optimal sodium selenite supplementation level would be 10 mg/kg.

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