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"solubility"
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The Solubility–Permeability Interplay and Its Implications in Formulation Design and Development for Poorly Soluble Drugs
While each of the two key parameters of oral drug absorption, the solubility and the permeability, has been comprehensively studied separately, the relationship and interplay between the two have been largely ignored. For instance, when formulating a low-solubility drug using various solubilization techniques: what are we doing to the apparent permeability when we increase the solubility? Permeability is equal to the drug’s diffusion coefficient through the membrane times the membrane/aqueous partition coefficient divided by the membrane thickness. The direct correlation between the intestinal permeability and the membrane/aqueous partitioning, which in turn is dependent on the drug’s apparent solubility in the GI milieu, suggests that the solubility and the permeability are closely associated, exhibiting a certain interplay between them, and the current view of treating the one irrespectively of the other may not be sufficient. In this paper, we describe the research that has been done thus far, and present new data, to shed light on this solubility–permeability interplay. It has been shown that decreased apparent permeability accompanies the solubility increase when using different solubilization methods. Overall, the weight of the evidence indicates that the solubility–permeability interplay cannot be ignored when using solubility-enabling formulations; looking solely at the solubility enhancement that the formulation enables may be misleading with regards to predicting the resulting absorption, and hence, the solubility–permeability interplay must be taken into account to strike the optimal solubility–permeability balance, in order to maximize the overall absorption.
Journal Article
Widespread deoxygenation of temperate lakes
The concentration of dissolved oxygen in aquatic systems helps to regulate biodiversity(1,2), nutrient biogeochemistry(3), greenhouse gas emissions(4), and the quality of drinking water(5). The long-term declines in dissolved oxygen concentrations in coastal and ocean waters have been linked to climate warming and human activity(6,7), but little is known about the changes in dissolved oxygen concentrations in lakes. Although the solubility of dissolved oxygen decreases with increasing water temperatures, long-term lake trajectories are difficult to predict. Oxygen losses in warming lakes may be amplified by enhanced decomposition and stronger thermal stratification(8,9) or oxygen may increase as a result of enhanced primary production(10). Here we analyse a combined total of 45,148 dissolved oxygen and temperature profiles and calculate trends for 393 temperate lakes that span 1941 to 2017. We find that a decline in dissolved oxygen is widespread in surface and deep-water habitats. The decline in surface waters is primarily associated with reduced solubility under warmer water temperatures, although dissolved oxygen in surface waters increased in a subset of highly productive warming lakes, probably owing to increasing production of phytoplankton. By contrast, the decline in deep waters is associated with stronger thermal stratification and loss of water clarity, but not with changes in gas solubility. Our results suggest that climate change and declining water clarity have altered the physical and chemical environment of lakes. Declines in dissolved oxygen in freshwater are 2.75 to 9.3 times greater than observed in the world's oceans(6,7) and could threaten essential lake ecosystem services(2,3,5,11).
Journal Article
A Critical Review on Soil Chemical Processes that Control How Soil pH Affects Phosphorus Availability to Plants
Occasionally, the classic understanding of the effect of pH on P uptake from soils is questioned through the claim that maximum P uptake occurs at a pH much lower than 6.5–7. The purpose of this paper was to thoroughly examine that claim and provide a critical review on soil processes that control how soil pH affects P solubility and availability. We discuss how individual P retention mechanisms are affected by pH in isolation and when combined in soils, and how both real and apparent exceptions to the classic view can occasionally occur due to dynamics between mechanisms, experimental techniques (equilibration time, method of soluble P extraction, and pH adjustment), and plant species that thrive under acidic conditions. While real exceptions to the rule of thumb of maximum P availability at near neutral pH can occur, we conclude that the classic textbook recommendation is generally sound.
Journal Article
Advanced Techniques in Solubility Enhancement of Poorly Water-Soluble Drugs
Solubility is the essential ability of any solute to be dissolved in any solution at different parameters. It has been evaluated that, about 30-50% of medicaments have poor solubility and dissolution rate. One of the key factors influencing a drug's bioavailability and pharmacokinetics is its solubility. These poorly soluble drugs can lead to gastro intestinal, mucosal toxicity and reduced pharmacological action. It is among the most significant issues encountered during the planning and creation of NCEs. The Biopharmaceutical Classification System [BCS] is known as the highly advanced methodology to differentiate the drug substances on the basis of their Solubility and Permeability. This methodology is widely used for management in the early development process of medications and in the identification of NCEs along with drug discovery process. Currently, there are several techniques used for enhancing aqueous solubility of drugs for greater bioavailability and increased therapeutics. Throughout the decade, various traditional approaches have been utilised to enhance the solubility of medicinal compounds.
Journal Article
The effect of pressure on sulphur speciation in mid- to deep-crustal arc magmas and implications for the formation of porphyry copper deposits
Piston cylinder experiments are used to investigate the effect of oxygen fugacity (ƒO
2
) on sulphur speciation and phase relations in arc magmas at 0.5–1.5 GPa and 840–950 °C. The experimental starting composition is a synthetic trachyandesite containing 6.0 wt% H
2
O, 2880 ppm S, 1500 ppm Cl and 3800 ppm C. Redox conditions ranging from 1.7 log units below the Ni–NiO buffer (NNO − 1.7) to NNO + 4.7 were imposed by solid-state buffers: Co–CoO, Ni–NiO, Re–ReO
2
and haematite–magnetite. All experiments are saturated with a COH fluid. Experiments produced crystal-bearing trachydacitic melts (SiO
2
from 60 to 69 wt%) for which major and volatile element concentrations were measured. Experimental results demonstrate a powerful effect of oxidation state on phase relations. For example, plagioclase was stable above NNO, but absent at more reduced conditions. Suppression of plagioclase stability produces higher Al
2
O
3
and CaO melts. The solid sulphur-bearing phases and sulphur speciation in the melt are strong functions of ƒO
2
, as expected, but also of pressure. At 0.5 GPa, the anhydrite stability field is intersected at NNO ≥ +2, but at 1.0 and 1.5 GPa, experiments at the same ƒO
2
produce sulphides and the stability field of sulphate moves towards higher ƒO
2
by ~1 log unit at 1.0 GPa and ~1.5 log units at 1.5 GPa. As a result, models that appeal to high oxidation state as an important control on the mobility of Cu (and other chalcophiles) during crustal differentiation must also consider the enhanced stability of sulphide in deep- to mid-crustal cumulates even for relatively oxidized (NNO + 2) magmas. Experimental glasses reproduce the commonly observed minimum in sulphur solubility between the S
2−
and S
6+
stability fields. The solubility minimum is not related to the Fe content (Fe
2+
/Fe
3+
or total) of the melt. Instead, we propose this minimum results from an unidentified, but relatively insoluble, S-species of intermediate oxidation state.
Journal Article
ATP as a biological hydrotrope
Hydrotropes are small molecules that solubilize hydrophobic molecules in aqueous solutions. Typically, hydrotropes are amphiphilic molecules and differ from classical surfactants in that they have low cooperativity of aggregation and work at molar concentrations. Here, we show that adenosine triphosphate (ATP) has properties of a biological hydrotrope. It can both prevent the formation of and dissolve previously formed protein aggregates. This chemical property is manifested at physiological concentrations between 5 and 10 millimolar. Therefore, in addition to being an energy source for biological reactions, for which micromolar concentrations are sufficient, we propose that millimolar concentrations of ATP may act to keep proteins soluble. This may in part explain why ATP is maintained in such high concentrations in cells.
Journal Article
Modeling CO2 solubility in water using gradient boosting and light gradient boosting machine
The growing application of carbon dioxide (CO
2
) in various environmental and energy fields, including carbon capture and storage (CCS) and several CO
2
-based enhanced oil recovery (EOR) techniques, highlights the importance of studying the phase equilibria of this gas with water. Therefore, accurate prediction of CO
2
solubility in water becomes an important thermodynamic property. This study focused on developing two powerful intelligent models, namely gradient boosting (GBoost) and light gradient boosting machine (LightGBM) that predict CO
2
solubility in water with high accuracy. The results revealed the outperformance of the GBoost model with root mean square error (RMSE) and determination coefficient (R
2
) of 0.137 mol/kg and 0.9976, respectively. The trend analysis demonstrated that the developed models were highly capable of detecting the physical trend of CO
2
solubility in water across various pressure and temperature ranges. Moreover, the Leverage technique was employed to identify suspected data points as well as the applicability domain of the proposed models. The results showed that less than 5% of the data points were detected as outliers representing the large applicability domain of intelligent models. The outcome of this research provided insight into the potential of intelligent models in predicting solubility of CO
2
in pure water.
Journal Article
Progress in Research of Chitosan Chemical Modification Technologies and Their Applications
Chitosan, which is derived from chitin, is the only known natural alkaline cationic polymer. Chitosan is a biological material that can significantly improve the living standard of the country. It has excellent properties such as good biodegradability, biocompatibility, and cell affinity, and has excellent biological activities such as antibacterial, antioxidant, and hemostasis. In recent years, the demand has increased significantly in many fields and has huge application potential. Due to the poor water solubility of chitosan, its wide application is limited. However, chemical modification of the chitosan matrix structure can improve its solubility and biological activity, thereby expanding its application range. The review covers the period from 1996 to 2022 and was elaborated by searching Google Scholar, PubMed, Elsevier, ACS publications, MDPI, Web of Science, Springer, and other databases. The various chemical modification methods of chitosan and its main activities and application research progress were reviewed. In general, the modification of chitosan and the application of its derivatives have had great progress, such as various reactions, optimization of conditions, new synthetic routes, and synthesis of various novel multifunctional chitosan derivatives. The chemical properties of modified chitosan are usually better than those of unmodified chitosan, so chitosan derivatives have been widely used and have more promising prospects. This paper aims to explore the latest progress in chitosan chemical modification technologies and analyze the application of chitosan and its derivatives in various fields, including pharmaceuticals and textiles, thus providing a basis for further development and utilization of chitosan.
Journal Article
Practical Determination of the Solubility Parameters of 1-Alkyl-3-methylimidazolium Bromide (CnC1imBr, n = 5, 6, 7, 8) Ionic Liquids by Inverse Gas Chromatography and the Hansen Solubility Parameter
The physicochemical properties of four 1-alkyl-3-methylimidazolium bromide ([CnC1im]Br, n = 5, 6, 7, 8) ionic liquids (ILs) were investigated in this work by using inverse gas chromatography (IGC) from 303.15 K to 343.15 K. Twenty-eight organic solvents were used to obtain the physicochemical properties between each IL and solvent via the IGC method, including the specific retention volume and the Flory–Huggins interaction parameter. The Hildebrand solubility parameters of the four [CnC1im]Br ILs were determined by linear extrapolation to be δ 2 ( [ C 5 C 1 im ] Br ) = 25.78 (J·cm−3)0.5, δ 2 ( [ C 6 C 1 im ] Br ) = 25.38 (J·cm−3)0.5, δ 2 ( [ C 7 C 1 im ] Br ) =24.78 (J·cm−3)0.5 and δ 2 ( [ C 8 C 1 im ] Br ) = 24.23 (J·cm−3)0.5 at room temperature (298.15 K). At the same time, the Hansen solubility parameters of the four [CnC1im]Br ILs were simulated by using the Hansen Solubility Parameter in Practice (HSPiP) at room temperature (298.15 K). The results were as follows: δ t ( [ C 5 C 1 im ] Br ) = 25.86 (J·cm−3)0.5, δ t ( [ C 6 C 1 im ] Br ) = 25.39 (J·cm−3)0.5, δ t ( [ C 7 C 1 im ] Br ) = 24.81 (J·cm−3)0.5 and δ t ( [ C 8 C 1 im ] Br ) = 24.33 (J·cm−3)0.5. These values were slightly higher than those obtained by the IGC method, but they only exhibited small errors, covering a range of 0.01 to 0.1 (J·cm−3)0.5. In addition, the miscibility between the IL and the probe was evaluated by IGC, and it exhibited a basic agreement with the HSPiP. This study confirms that the combination of the two methods can accurately calculate solubility parameters and select solvents.
Journal Article