The main objective of this study was to develop an effective potentiometric saturation titration protocol for determining the aqueous intrinsic solubility and the solubility-pH profile of ionizable molecules, with the specific aim of overcoming incomplete dissolution conditions, while attempting to shorten the data collection time. A modern theory of dissolution kinetics (an extension of the No...

The binding of sodium n-dodecyl sulphate (SDS) to Aspergillus niger catalase in various ionic strengths at pH 6.4 and a temperature of 27? and 37?C has been studied over a range of SDS concentrations using equilibrium dialysis and fluorescence spectroscopy techniques. The binding data were used and interpreted in terms of theoretical models (Scatchard Equation and Wyman Binding Potential). ...

Two simple multiple linear regression models were proposed to calculate the logarithm of the blood to brain concentration ratio (log BB) of drugs or drug-like compounds. The drugs were classified into two groups according to their ionization state in blood, and the significant parameters were selected using the train sets for each group. For un-ionizable compounds, the logarithm of distribution...

A computational method is developed to carry out explicit solvent simulations of complex molecular systems under conditions of constant pH. In constant-pH simulations, preidentified ionizable sites are allowed to spontaneously protonate and deprotonate as a function of time in response to the environment and the imposed pH. The method, based on a hybrid scheme originally proposed by H. A. Stern...

The title compound, C(8)H(12)O(7)P(2)·CH(4)O, is a monoesterified bis-phospho-nate (or 1-hydroxy-methyl-ene-1,1-bis-phospho-nic acid). These synthetic compounds are widely used in medicine to inhibit bone resorption in diseases like osteoporosis, and are characterized by a stable P-C-P group and are thus analogs of inorganic pyrophosphate. By masking one or several ionizable groups, introduced ...

Kanamycin nucleotidyltransferase (KNTase) catalyzes the transfer of the adenyl group from MgATP to either the 48 or 49-hydroxyl group of aminoglycoside antibiotics. The steady state kinetic parameters of the enzymatic reaction have been measured by initial velocity, product, and dead-end inhibition techniques. The kinetic mechanism is ordered where the antibiotic binds prior to MgATP and the mo...

Telmisartan (TLM) is an angiotensin II receptor antagonist used in the treatment of hypertension. According to BCS (biopharmaceutical classification system) Telmisartan belongs to class II drug, and it is practically insoluble in water and it shows low dissolution profile and poor absorption. The present study is to improve the solubility of Telmisartan by solid dispersion techniques using vari...

Hydrophilic interaction chromatography (HILIC) is a technique that has become increasingly popular for the separation of polar, hydrophilic, and ionizable compounds, which are diffi cult to separate by reversed phase chromatography (RP) due to their poor retention when RP is used. HILIC typically uses a polar stationary phase such as bare silica or a polar bonded phase, together with an eluent ...