scholarly journals Correction: Effect of hydrophobically modified PEO polymers (PEO-dodecyl) on oil/water microemulsion properties: in vitro and in silico investigations

RSC Advances ◽  
2021 ◽  
Vol 11 (18) ◽  
pp. 10400-10400
Author(s):  
M. Khatouri ◽  
R. Ahfir ◽  
M. Lemaalem ◽  
S. El Khaoui ◽  
A. Derouiche ◽  
...  
Keyword(s):  
In Silico ◽  
Hydrophobically Modified ◽  
Correction Effect ◽  
Oil Water

Correction for ‘Effect of hydrophobically modified PEO polymers (PEO-dodecyl) on oil/water microemulsion properties: in vitro and in silico investigations’ by M. Khatouri et al., RSC Adv., 2021, 11, 7059–7069, DOI: 10.1039/D0RA09804C.

scholarly journals Effect of hydrophobically modified PEO polymers (PEO-dodecyl) on oil/water microemulsion properties: in vitro and in silico investigations

RSC Advances ◽  
2021 ◽  
Vol 11 (12) ◽  
pp. 7059-7069
Author(s):  
M. Khatouri ◽  
R. Ahfir ◽  
M. Lemaalam ◽  
S. El Khaoui ◽  
A. Derouiche ◽  
...  
Keyword(s):  
Integral Equations ◽  
In Silico ◽  
Md Simulations ◽  
Hydrophobically Modified ◽  
Oil Water

In this work, we study the effect of grafted PEO-dodecyl co-polymers on the decane/water microemulsions properties. For this purpose, we combined the MD simulations, the OZ integral equations resolved using the HNC closure, and SANS experiments.

Controlling porosity and density of nanocellulose aerogels for superhydrophobic light materials

TAPPI Journal ◽  
2018 ◽  
Vol 17 (03) ◽  
pp. 145-153 ◽  
Author(s):  
Chengua Yu ◽  
Feng Wang ◽  
Shiyu Fu ◽  
Lucian Lucia
Keyword(s):  
Contact Angle ◽  
Freeze Drying ◽  
Engine Oil ◽  
High Porosity ◽  
Water Mixture ◽  
Waste Engine Oil ◽  
Hydrophobically Modified ◽  
Static Contact ◽  
Oil Water ◽  
Hydrophobic Material

A very low-density oil-absorbing hydrophobic material was fabricated from cellulose nanofiber aerogels–coated silane substances. Nanocellulose aerogels (NCA) superabsorbents were prepared by freeze drying cellulose nanofibril dispersions at 0.2%, 0.5%, 0.8%, 1.0%, and 1.5% w/w. The NCA were hydrophobically modified with methyltrimethoxysilane. The surface morphology and wettability were characterized by scanning electron microscopy and static contact angle. The aerogels displayed an ultralow density (2.0–16.7 mg·cm-3), high porosity (99.9%–98.9%), and superhydrophobicity as evidenced by the contact angle of ~150° that enabled the aerogels to effectively absorb oil from an oil/water mixture. The absorption capacities of hydrophobic nanocellulose aerogels for waste engine oil and olive oil could be up to 140 g·g-1 and 179.1 g·g-1, respectively.

IN VITRO/IN SILICO CHARACTERIZATION OF ACTIVE AND PASSIVE STRESSES IN CARDIAC MUSCLE

2012 ◽  
Vol 10 (2) ◽  
pp. 171-188 ◽  
Author(s):  
Markus Boel ◽  
Oscar J. Abilez ◽  
Ahmed N Assar ◽  
Christopher K. Zarins ◽  
Ellen Kuhl
Keyword(s):  
Cardiac Muscle ◽  
In Silico ◽  
In Silico Characterization

Role of 4-O Galloylchlorogenic Acid in Lung Cancer- An Insilico Approach

2017 ◽  
Vol 9 (5) ◽  
Author(s):  
Jaynthy C. ◽  
N. Premjanu ◽  
Abhinav Srivastava
Keyword(s):  
Lung Cancer ◽  
Cell Proliferation ◽  
In Silico ◽  
Computational Study ◽  
Regulation Mechanism ◽  
Down Regulation ◽  
Fruit Extract ◽  
In Vitro Techniques ◽  
Discovery Studio

Cancer is a major disease with millions of patients diagnosed each year with high mortality around the world. Various studies are still going on to study the further mechanisms and pathways of the cancer cell proliferation. Fucosylation is one of the most important oligosaccharide modifications involved in cancer and inflammation. In cancer development increased core fucosylation by FUT8 play an important role in cell proliferation. Down regulation of FUT8 expression may help cure lung cancer. Therefore the computational study based on the down regulation mechanism of FUT8 was mechanised. Sapota fruit extract, containing 4-Ogalloylchlorogenic acid was used as the inhibitor against FUT-8 as target and docking was performed using in-silico tool, Accelrys Discovery Studio. There were several conformations of the docked result, and conformation 1 showed 80% dock score between the ligand and the target. Further the amino acids of the inhibitor involved in docking were studied using another tool, Ligplot. Thus, in-silico analysis based on drug designing parameters shows that the fruit extract can be studied further using in-vitro techniques to know its pharmacokinetics.

Discovery of New AKT1 Inhibitors by Combination of In silico Structure Based Virtual Screening Approaches and Biological Evaluations

2019 ◽  
Author(s):  
Filip Fratev ◽  
Denisse A. Gutierrez ◽  
Renato J. Aguilera ◽  
suman sirimulla
Keyword(s):  
Virtual Screening ◽  
Success Rate ◽  
Protein Interactions ◽  
In Silico ◽  
Biological Data ◽  
In Vitro Binding ◽  
Vitro Binding ◽  
Screening Protocol ◽  
Screening Approaches

AKT1 is emerging as a useful target for treating cancer. Herein, we discovered a new set of ligands that inhibit the AKT1, as shown by in vitro binding and cell line studies, using a newly designed virtual screening protocol that combines structure-based pharmacophore and docking screens. Taking together with the biological data, the combination of structure based pharamcophore and docking methods demonstrated reasonable success rate in identifying new inhibitors (60-70%) proving the success of aforementioned approach. A detail analysis of the ligand-protein interactions was performed explaining observed activities.<br>

Developing FGFR4 Inhibitors As Potential Anti-Cancer Agents Via In Silico Design, Supported by In Vitro and Cell-Based Testing

2013 ◽  
Vol 999 (999) ◽  
pp. 1-15
Author(s):  
H.K. Ho ◽  
G. Nemeth ◽  
Y.R. Ng ◽  
E. Pang ◽  
C. Szantai-Kis ◽  
...  
Keyword(s):  
In Silico ◽  
In Silico Design ◽  
Anti Cancer

Recent In Vitro and In Silico Advances in the Understanding of Intranasal Drug Delivery

2020 ◽  
Vol 26 ◽  
Author(s):  
John Chen ◽  
Andrew Martin ◽  
Warren H. Finlay
Keyword(s):  
Drug Delivery ◽  
In Silico ◽  
Local Drug Delivery ◽  
In Vivo Studies ◽  
Intranasal Drug Delivery ◽  
Nasal Sprays ◽  
In Silico Studies ◽  
Drug Delivery Devices

Background: Many drugs are delivered intranasally for local or systemic effect, typically in the form of droplets or aerosols. Because of the high cost of in vivo studies, drug developers and researchers often turn to in vitro or in silico testing when first evaluating the behavior and properties of intranasal drug delivery devices and formulations. Recent advances in manufacturing and computer technologies have allowed for increasingly realistic and sophisticated in vitro and in silico reconstructions of the human nasal airways. Objective: To perform a summary of advances in understanding of intranasal drug delivery based on recent in vitro and in silico studies. Conclusion: The turbinates are a common target for local drug delivery applications, and while nasal sprays are able to reach this region, there is currently no broad consensus across the in vitro and in silico literature concerning optimal parameters for device design, formulation properties and patient technique which would maximize turbinate deposition. Nebulizers are able to more easily target the turbinates, but come with the disadvantage of significant lung deposition. Targeting of the olfactory region of the nasal cavity has been explored for potential treatment of central nervous system conditions. Conventional intranasal devices, such as nasal sprays and nebulizers, deliver very little dose to the olfactory region. Recent progress in our understanding of intranasal delivery will be useful in the development of the next generation of intranasal drug delivery devices.

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