scholarly journals QSPR Study of the Water Solubility of a Diverse Set of Agrochemicals : Hybrid ( GA / MLR ) Approach = Etude QSPR de la Solubilité Aqueuse d'un Ensemble de Divers Produits Agrochimiques : Approche Hybride ( AG / RLM )

2016 ◽  
pp. 12-21
Author(s):  
Djelloul Messadi ◽  
Amel Bouakkadia ◽  
Hamza Haddag
Keyword(s):  
Water Solubility ◽  
Qspr Study

scholarly journals A QSPR study of hydrophobicity of phenols and 2-(aryloxy-α-acetyl)-phenoxathiin derivatives using the topological index ZEP

2013 ◽  
Vol 22 (1) ◽  
pp. 33-40
Author(s):  
ZOITA-MARIOARA BERINDE ◽  
Keyword(s):  
Topological Index ◽  
Water Solubility ◽  
Log P ◽  
Gibbs Energy Of Formation ◽  
Structure Property ◽  
Aromaticity Index ◽  
Physico Chemical ◽  
Structure Property Relationship ◽  
Qspr Study ◽  
Energy Of Formation

The molecular hydrophobicity (RMO) of several newly synthesized phenoxathiin derivatives and of phenols with congeneric structures have been recently correlated with some simple physico-chemical calculated parameters of compounds: the water solubility (log Sw); the partition coefficient (log P); the Gibbs energy of formation (∆Gf ), and the aromaticity index (HOMA) [Beteringhe, A., Radutiu, A. C., Constantinescu, T., Patron, L. and Balaban, A. T., Quantitative Structure-Property Relationship (QSPR) study of the hydrophobicity of phenols and 2-(aryloxy-α-acetyl)- phenoxathiin derivatives, Rev. Chim. (Bucures¸ti) , 59 (2008), No. 11, 1175–1179]. The best correlation was found as a biparametric regression equation in terms of log Sw and HOMA, which cannot be improved by adding one or two of the parameters aforementioned. In the present work we describee the weighted electronic distance based topological index (ZEP) and then use it for QSPR studies of RMO in combination with log Sw, log P, ∆Gf and HOMA. Most of the three parameter QSPR correlations of RMO are significantly improved by involving the theoretical parameter ZEP.

ANALISIS FISIKA KIMIA DARI KERANG DARA (Anadara granosa) YANG BERASAL DARI KAYUTANYO KAB. BANGGAI The Analysis of physical chemical from dara shells (Anadara granosa) origin from Kayutanyo, Kab.Banggai

2018 ◽  
Vol 2 (2) ◽  
Author(s):  
SULASMI ANGGO
Keyword(s):  
Protein Content ◽  
Water Content ◽  
Water Solubility ◽  
Gravimetric Method ◽  
Fat Content ◽  
Carbohydrate Content ◽  
Dust Content ◽  
Total Dust ◽  
Physical Chemical ◽  
Anadara Granosa

The Analysis of physical chemical from dara shells (Anadara granosa) origin from Kayutanyo, kab. Banggai, has been conducted.Dara shell meat is sleaned and dried and after that powered with blender. Determine % rendement, water bonding capacity and index water solubility with Anderson method, coarse fat content with gravimetric method and carbohydrate method with “bye difference” decrease method.The result of analysis showed rendement value is 24,35%, water bonding capacity is 1,6248 gram/ml, index water solubility is 0,202 gram/ml, water content is 79,0045%, total dust content is 1,072%, coarse protein content is 2,25%, coarse fat content is 8,47%, carbohydrate content is 9,2035%. Keyword : Dara shells, (Anadara granosa), analysis physical chemical

Investigating the influence of aromatic moieties on the formulation of hydrophobic natural products and drugs in poly(2-oxazoline) based amphiphiles

2018 ◽  
Author(s):  
Robert Luxenhofer ◽  
Michael M Lübtow ◽  
Lukas Hahn ◽  
Thomas Lorson ◽  
Rainer Schobert
Keyword(s):  
Natural Products ◽  
Small Molecules ◽  
Water Solubility ◽  
Drug Loading ◽  
High Drug ◽  
Long Term Stability ◽  
Aromatic Content ◽  
Important Interaction ◽  
Amorphous Structures ◽  
High Drug Loading

Many natural compounds with interesting biomedical properties share one physicochemical property, namely a low water solubility. Polymer micelles are, among others, a popular means to solubilize hydrophobic compounds. The specific molecular interactions between the polymers and the hydrophobic drugs are diverse and recently it has been discussed that macromolecular engineering can be used to optimize drug loaded micelles. Specifically, π-π stacking between small molecules and polymers has been discussed as an important interaction that can be employed to increase drug loading and formulation stability. Here, we test this hypothesis using four different polymer amphiphiles with varying aromatic content and various natural products that also contain different relative amounts of aromatic moieties. While in the case of paclitaxel, having the lowest relative content of aromatic moieties, the drug loading decreases with increasing relative aromatic amount in the polymer, the drug loading of curcumin, having a much higher relative aromatic content, is increased. Interestingly, the loading using schizandrin A, a dibenzo[a,c]cyclooctadiene lignan with intermediate relative aromatic content is not influenced significantly by the aromatic content of the polymers employed. The very high drug loading, long term stability, the ability to form stable highly loaded binary coformulations in different drug combinations, small sized formulations and amorphous structures in all cases, corroborate earlier reports that poly(2-oxazoline) based micelles exhibit an extraordinarily high drug loading and are promising candidates for further biomedical applications. The presented results underline that the interaction between the polymers and the incorporated small molecules are complex and must be investigated in every specific case.<br>

BODIPY Fluorophores for Membrane Potential Imaging

2019 ◽  
Author(s):  
Jenna Franke ◽  
Benjamin Raliski ◽  
Steven Boggess ◽  
Divya Natesan ◽  
Evan Koretsky ◽  
...  
Keyword(s):  
Mammalian Cells ◽  
Water Solubility ◽  
Water Soluble ◽  
Voltage Sensitivity ◽  
Chemical Transformations ◽  
Direct Modification ◽  
Biological Compatibility ◽  
Meso Position ◽  
Ionizable Groups ◽  
Boron Center

Fluorophores based on the BODIPY scaffold are prized for their tunable excitation and emission profiles, mild syntheses, and biological compatibility. Improving the water-solubility of BODIPY dyes remains an outstanding challenge. The development of water-soluble BODIPY dyes usually involves direct modification of the BODIPY fluorophore core with ionizable groups or substitution at the boron center. While these strategies are effective for the generation of water-soluble fluorophores, they are challenging to implement when developing BODIPY-based indicators: direct modification of BODIPY core can disrupt the electronics of the dye, complicating the design of functional indicators; and substitution at the boron center often renders the resultant BODIPY incompatible with the chemical transformations required to generate fluorescent sensors. In this study, we show that BODIPYs bearing a sulfonated aromatic group at the meso position provide a general solution for water-soluble BODIPYs. We outline the route to a suite of 5 new sulfonated BODIPYs with 2,6-disubstitution patterns spanning a range of electron-donating and -withdrawing propensities. To highlight the utility of these new, sulfonated BODIPYs, we further functionalize them to access 13 new, BODIPY-based voltage-sensitive fluorophores. The most sensitive of these BODIPY VF dyes displays a 48% ΔF/F per 100 mV in mammalian cells. Two additional BODIPY VFs show good voltage sensitivity (≥24% ΔF/F) and excellent brightness in cells. These compounds can report on action potential dynamics in both mammalian neurons and human stem cell-derived cardiomyocytes. Accessing a range of substituents in the context of a water soluble BODIPY fluorophore provides opportunities to tune the electronic properties of water-soluble BODIPY dyes for functional indicators.

Primordial science and pioneering approaches of guggul for chronic ailments – A modernized review

2020 ◽  
Vol 7 (2) ◽  
pp. 14-20
Author(s):  
Jamal Basha D ◽  
Kumar P R ◽  
Ranganayakulu D
Keyword(s):  
Water Solubility ◽  
Therapeutic Potential ◽  
Chemical Constituents ◽  
Signs And Symptoms ◽  
Dosage Forms ◽  
The Novel ◽  
Lipids Metabolism ◽  
Clinical Conditions ◽  
Novel Drug ◽  
Conventional Dosage

An oleo gum resin guggulu is a product which obtained as a result of gummosis from the bark of Commiphora wightii (Arnott) Bhandari [syn. Commiphoramukul (Hook. Ex Stocks) Family, Burseraceae]. It has been known for its immense applicability in the Ayurveda since time immemorial for the treatment of variety of disorders such as inflammation, gout, rheumatism, impotence, leprosy, obesity, and disorders of lipids metabolism. It is a mixture of phytoconstituents like terpenoids, steroids, flavonoids, guggultetrols, lignans, sugars, and amino acids. This review is an effort to compile all the information available on all of its chemical constituents which are responsible for its therapeutic potential, limitation of guggul extracts and the necessity of novel principles for gum guggul. Nowadays, Guggul is available as the marketed formulation for curing numerous clinical conditions and is accessible in combination with various other ingredients. Though conventional dosage form shows the dominance as patient compliance and easy availability, yet it has found to pose the problems like dose fluctuation, peak-valley effect, non-adjustment of the administered drug, invasiveness etc. Guggul lacks its desired effect due to its low bioavailability and water solubility. This makes it a partial or a deficient therapy for remedy of many signs and symptoms. Novel drug delivery system (NDDS), a new approach and has excluded many of drawbacks exhibited by conventional dosage forms. Some of the novel dosage forms of guggul has been formed like nanoparticles, nanovesicles, gugglusomes and proniosomal gel. But still, the novel formulations for guggul has its less outspread in the market. Guggul can be executed as a profitable drug using NDDS. There is a need to highlight the unidentified and unexplained facts about guggul so as to make it more efficacious and effective in terms of bioavailability and aqueous insolubility.

KARAKTERISTIK FISIK BUBUR INSTAN TERSUBTITUSI TEPUNG PISANG TONGKA LANGIT

2015 ◽  
Vol 4 (2) ◽  
pp. 41-44
Author(s):  
Priscillia Picauly ◽  
Gilian Tetelepta
Keyword(s):  
Water Solubility ◽  
Physical Property ◽  
Rice Flour ◽  
Absorption Index ◽  
Randomized Design ◽  
Nutrition Value ◽  
Banana Flour ◽  
Completely Randomized Design ◽  
Four Levels

Instant porridge is sereal-based food that can be combined with fruits so it will contain better nutrition. To improve the nutrition value of instant porridge then substitute of one kind of banana originally from Maluku is Tongka langit banana. A good quality of instant porridge has a high nutrition and a best physical property. This research aims to characterize of the physical properties instant porridge that are substituted by Tongka langit banana flour and the rice flour. The design that is applied is completely randomized design with four levels of treatment in comparing the substitution between Tongka langit banana flour and the rice flour as follow 20%, 40%, 60% and 80%. According to the result of this research, the physical characteristic of instant porridge that are substituted by Tongka langit banana flour are bulk density (0.84-0.89 g/mL), water absorption index (3.49-4.05%), and water solubility index (0.02-0.04%).

Quantitative Structure-Property Relationship (QSPR) Study of the Hydrophobicity of Phenols and 2-(Aryloxy-a-acetyl)-phenoxathiin Derivatives

2008 ◽  
Vol 59 (11) ◽  
Author(s):  
Adrian Beteringhe ◽  
Ana Cristina Radutiu ◽  
Titus Constantinescu ◽  
Luminita Patron ◽  
Alexandru T. Balaban
Keyword(s):  
Water Solubility ◽  
Molecular Descriptors ◽  
Log P ◽  
Structure Property ◽  
Substituted Phenols ◽  
Reverse Phase ◽  
Aromaticity Index ◽  
Structure Property Relationship ◽  
Layer Chromatography ◽  
Energy Of Formation

In a preceding study, the molecular hydrophobicity (RM0) was determined experimentally from reverse-phase thin-layer chromatography data for several substituted phenols and 2-(aryloxy-a-acetyl)-phenoxathiin derivatives, obtained from the corresponding phenoxides and 2-(a-bromoacetyl)-phenoxathiin. QSPR correlations for RM0 were explored using four calculated molecular descriptors: the water solubility parameter (log Sw), log P, the Gibbs energy of formation (DGf), and the aromaticity index (HOMA). Triparametric correlations do not improve substantially the biparametric correlation of RM0 in terms of log Sw and HOMA.

Complexation with Hydroxypropyl-gama-Cyclodextrin of Birch Tree Extract Physico-chemical Characterisation of their Binary Products

2008 ◽  
Vol 59 (6) ◽  
Author(s):  
Codruta Soica ◽  
Cristina A. Dehelean ◽  
Valentin Ordodi ◽  
Diana Antal ◽  
Vicentiu Vlaia
Keyword(s):  
Inclusion Complexes ◽  
Water Solubility ◽  
In Vitro Dissolution ◽  
Molar Ratio ◽  
Bark Extract ◽  
Birch Bark ◽  
Preparation Methods ◽  
Birch Tree ◽  
Physico Chemical

Birch bark contains important pentacyclic triterpens that determine an anticancer, anti-inflammatory and antiviral activity. The compounds can be extracted by simple procedures with organic solvents. The major problem of this type of triterpens is their low water solubility which can be increased by physical procedures like cyclodextrin complexation. The aim of present study was to analyse the products between birch bark extract and hydroxypropyl-g -cyclodextrin. Hydroxypropyl-g -cyclodextrin (HPGCD) was used as a host to improve its solubility in water, via inclusion complex formation. In order to obtain the inclusion complexes, 1:2 molar ratio and two preparation methods (physical mixing, kneading) were used. The inclusion complexes were analyzed by in vitro dissolution tests, thermal analysis and X-ray diffraction.

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