Solubility and partitioning I: Solubility of nonelectrolytes in water

Yalkowsky, Samuel H.; Valvani, Shri C.

doi:10.1002/jps.2600690814

Cited by 549 publications

(316 citation statements)

References 11 publications

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“…The T m has numerous applications due to its relationship with solubility, where the T m term accounts for the effects of solute crystallinity. [23][24][25] MBIs, including tolprocarb, do not directly interfere with the viability of P. oryzae but rather inhibit penetration of the pathogen into the host plant. Therefore, P. oryzae could penetrate the host where MBIs do not exist on the leaves, and a uniform coating on the leaves might be important for protecting the host from infection by P. oryzae.…”

Section: Discussionmentioning

confidence: 99%

Synthesis and activities of tolprocarb derivatives against <i>Pyricularia oryzae</i>: relationships among the activities for polyketide synthase, melanin biosynthesis, and rice blast

Banba

Hamada

Araki

et al. 2017

Journal of Pesticide Science

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The target site of tolprocarb has been reported to be polyketide synthase (PKS). Here, we evaluated the activities for Pyricularia oryzae PKS and melanin biosynthesis as well as the control efficacy of rice blast using a series of tolprocarb derivatives. A comparison of the inhibitory activities of PKS and melanin biosynthesis revealed a linear relationship (r 2 =0.90), confirming PKS as the target site of tolprocarb. A compound beyond this relationship was metabolized by P. oryzae to an inactive compound. The control efficacy of rice blast was explained using the melting point and either the inhibitory activity of PKS or melanin biosynthesis. Structure-activity analysis revealed that both end parts of tolprocarb preferred hydrophobic groups, and the chirality of the substituent in the middle part significantly influenced the activities. These relationships will provide useful information for the development of novel PKS inhibitors.

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Section: Discussionmentioning

confidence: 99%

Synthesis and activities of tolprocarb derivatives against <i>Pyricularia oryzae</i>: relationships among the activities for polyketide synthase, melanin biosynthesis, and rice blast

Banba

Hamada

Araki

et al. 2017

Journal of Pesticide Science

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“…The melting temperatures of single-component molecular crystals are normally used to describe/evaluate/imitate the energy of crystal lattice, as in the general solubility equation of Yalkowsky and Valvani [42]. In addition, it has been shown previously that there is a linear correlation between the sublimation Gibbs energy and the melting temperatures of structurally similar compounds [39,43].…”

Section: Aqueous Dissolution Studymentioning

confidence: 99%

Crystal Structures, Thermal Analysis, and Dissolution Behavior of New Solid Forms of the Antiviral Drug Arbidol with Dicarboxylic Acids

et al. 2015

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Salts of the antiviral drug arbidol (umifenovir) (Arb) with maleate (Mlc) and fumarate (Fum) anions have been obtained, and their crystal structures have been described. The crystal structure of arbidol maleate has been redetermined by single crystal X-ray diffraction at 180K. A new arbidol cocrystal in zwitterion form with succinic acid (Suc) has also been found and characterized. The arbidol zwitterion was not previously seen in any of the drug crystal forms, and the [Arb + Suc] cocrystal seems to be the first found instance. Analysis of the conformational preferences of the arbidol molecule in the crystal structures has shown that it adopts two types of conformations, namely "open" and "closed" ones. Thermal stability of the arbidol salts and cocrystal have been analyzed by means of differential scanning calorimetry, thermogravimetric, and mass-spectrometry analysis. The dissolution study of the arbidol salts and cocrystal performed in aqueous buffer solutions with pH 1.2 and 6.8 has shown that both the salts and the cocrystal dissolve incongruently to form an arbidol hydrochloride monohydrate at pH 1.2 and an OPEN ACCESSCrystals 2015, 5 651 arbidol base at pH 6.8, respectively. The cocrystal reaches the highest solubility level in both pH 1.2 and pH 6.8 solutions.

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“…Several models are used to predict the solubility of the materials based on cohesive energy density [104] , melting point, oil-water partitioning coefficient [105] , and the molecular surface area [106] . A fractal model [103] has also been utilized to describe small particle dissolution.…”

Section: Solubilitymentioning

confidence: 99%

Why is the nanoscale special (or not)? Fundamental properties and how it relates to the design of nano-enabled drug delivery systems

Otto

Villiers

2013

Nanotechnology Reviews

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Why is the nanoscale special (or not) ?Fundamental properties and how it relates to the design of nano-enabled drug delivery systems Abstract: Nanoscience studies describe natural phenomena at the submicron scale. Below a critical nanoscale limit, the physical, chemical, and biological properties of materials show a marked departure in their behavior compared to the bulk. At the nanoscale, energy conversion is dominated by phonons, whereas at larger scales, electrons determine the process. The surface-to-volume ratio at the nanoscale is immense, and interfacial interactions are markedly more important than at the macroscopic level, where the majority of the material is shielded from the surface. These properties render the nanoparticles to be significantly different from their larger counterparts. Nano-enabled drug delivery systems have resulted from multidisciplinary cooperation aimed at improving drug delivery. Significant improvements in the thermodynamic and delivery properties are seen due to nanotechnology. Hybrid nanodelivery systems, i.e., membranes with nanopores that can gate stimuli-responsive drug release could be a future development. Nanotechnology will improve current drug delivery and create novel future delivery systems. The fundamental properties and challenges of nanodelivery systems are discussed in this review.

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Solubility and partitioning I: Solubility of nonelectrolytes in water

Cited by 549 publications

References 11 publications

Synthesis and activities of tolprocarb derivatives against <i>Pyricularia oryzae</i>: relationships among the activities for polyketide synthase, melanin biosynthesis, and rice blast

Synthesis and activities of tolprocarb derivatives against <i>Pyricularia oryzae</i>: relationships among the activities for polyketide synthase, melanin biosynthesis, and rice blast

Crystal Structures, Thermal Analysis, and Dissolution Behavior of New Solid Forms of the Antiviral Drug Arbidol with Dicarboxylic Acids

Why is the nanoscale special (or not)? Fundamental properties and how it relates to the design of nano-enabled drug delivery systems

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