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PubMed2005

Currents and photocurrents in organic materials determined by the interface phenomena.

The role of interface between molecular material and electrode on currents and photocurrents is considered. Mechanisms of charge carrier injection, electrode recombination and transport are discussed. Particularly thermal, excitonic, photo and tunneling injection of charge carriers, diffusion in presence of image force, interface barrier between electrode and organic materials and two organic materials, non-uniformity of electrodes and other phenomena on charge carrier injection are considered. The data presented in the review which complete theoretical considerations have been taken from previous as well as current literature. The considered phenomena are very important for the analysis of many practical problems for molecular electronic devices such as rectification of current, organic transistors, electroluminescence, photovoltaic effects and some similar problems.

Electric Conductivity↗
PubMed1993

Dipyrenylphosphatidylcholines as membrane fluidity probes. Pressure and temperature dependence of the intramolecular excimer formation rate.

We have measured the pressure dependence of the intramolecular excimer formation rate, K(p), for di-(1'-pyrenedecanoyl)-phosphatidylcholine (dipy10PC) probes in single-component lipid multilamellar vesicles (MLV) as a function of temperature. Apparent volumes of activation (V(a)) for intramolecular excimer formation are obtained from the slopes of plots of log K(p) versus P. For liquid-crystalline saturated lipid MLV (DMPC and DPPC), these plots are linear and yield a unique V(a) at each temperature, whereas for unsaturated lipids (POPC and DOPC) they are curvilinear and V(a) appears to decrease with pressure. The isothermal pressure induced phase transition is marked by an abrupt drop in the values of K(p). The pressure to temperature equivalence values, dPm/dT, estimated from the midpoint of the transitions, are 47.0, 43.5, and 52.5 bar degree C-1 for DMPC, DPPC, and POPC, respectively. In liquid-crystalline DMPC, V(a) decreases linearly as a function of temperature, with a coefficient -dVa/dT = 0.65 +/- 0.11 ml degree C-1 mol-1. Using a modified free volume model of diffusion, we show that this value corresponds to the thermal expansivity of DMPC. Both the apparent energy and entropy of activation, Ea and delta Sa, increase with pressure in DMPC, whereas both decrease in POPC and DOPC. This difference is attributed to the sensitivity of the dynamics and/or packing of the dipy10PC probes to the location of the cis-double bonds in the chains of the unsaturated host phospholipids. Finally, the atmospheric pressure values of Ea and delta Sa for the four host MLV examined are shown to be linearly related. The relevance of this finding with respect to the structure of the excimers formed by the dipy10PC probes is briefly discussed.

Biophysical Phenomena↗
PubMed2003

Surface modification of hydroxyapatite. Part I. Dodecyl alcohol.

The influence of esterification reactions on the surface chemistry and colloid stability of hydroxyapatite (HAP) was studied by aging nanophase HAP in dodecyl alcohol at elevated temperatures (115 degrees C and 190 degrees C). The esterified HAP particles were characterized by X-ray diffraction, transmission electron microscopy, diffuse reflectance infra-red Fourier transform spectroscopy (DRIFTS), thermal gravimetric analysis, sedimentation time studies, and electrophoretic mobility (mu) measurements in water and ethyl alcohol. DRIFTS analysis revealed that the HAP surface was modified by dodecyl groups based on the appearance of C-H stretch vibrational modes at 2962, 2930, and 2860cm(-1). Dodecyl alcohol modified HAP exhibited a larger TGA mass loss upon heating (up to 4.8%) compared to untreated HAP (2.5-3.2wt%). Sedimentation studies revealed the following stability trends: HAP dispersed in water was approximately the same as esterified HAP in water (a few hours) <HAP in ethyl alcohol (1-7 days) << esterified HAP in ethyl alcohol (115 degrees C, 70h; 190 degrees C, over 65 days). The differences in colloid stability are attributed to Lewis acid/base interactions for the untreated HAP and steric stabilization effects for the nanophase HAP with surface dodecyl groups.

Biocompatible Materials↗
PubMed2000

From continuous time random walks to the fractional fokker-planck equation

We generalize the continuous time random walk (CTRW) to include the effect of space dependent jump probabilities. When the mean waiting time diverges we derive a fractional Fokker-Planck equation (FFPE). This equation describes anomalous diffusion in an external force field and close to thermal equilibrium. We discuss the domain of validity of the fractional kinetic equation. For the force free case we compare between the CTRW solution and that of the FFPE.

Journal Article↗
PubMed2001

On the interaction of the vanadyl(IV) cation with lactose: inhibition effects of vanadyl(IV)/monosaccharide and disaccharide complexes upon alkaline phosphatase activity.

A new vanadyl(IV) complex of the disaccharide lactose was obtained in aqueous solution at pH = 13. The sodium salt of the complex, of composition Na4[VO(lactose)2].3H2O, has been characterized by elemental analysis and by ultraviolet-visible, diffuse reflectance, and infrared spectroscopies. Its magnetic susceptibility and thermal behavior were also investigated. The inhibitory effect on alkaline phosphatase activity was tested for this compound as well as for the vanadyl(IV) complexes with maltose, sucrose, glucose, fructose, and galactose. For comparative purposes, the free ligands and the vanadyl(IV) cation were also studied. The free sugars and the sucrose/VO complex exhibited the lowest inhibitory effect. Lactose-VO, maltose-VO, and the free VO2+ cation showed an intermediate inhibition potential, whereas the monosaccharide/VO complexes appeared as the most potent inhibitory agents.

Alkaline Phosphatase↗
PubMed1984

Laser light scattering spectroscopy of in vivo human lenses.

Laser light scattering spectroscopy measures the thermal random movement of protein as characterized by the diffusion coefficient. This technique has been used in assessing cataract formation in animals. The changes detected appear to predict the later development of lens opacities. The sensitivity and quantitative aspects of this technique offer advantages over other presently available methods of detecting cataract formation. First studies in humans indicated a significant correlation between the diffusion coefficient and age (P less than 0.05). The age adjusted mean diffusion coefficient for nondiabetics (4.60 +/- 0.29; mean +/- SEM) was significantly higher compared to diabetics without retinopathy (3.59 +/- 0.41; P = 0.0473), diabetics with background or preproliferative retinopathy (2.73 +/- 0.27; P = 0.0001), or to diabetics with preproliferative or proliferative retinopathy receiving laser photocoagulation within 1 year of measurement (3.02 +/- 0.37; P = 0.0012). Diabetics with laser treatment more than 1 year prior to measurement (3.96 +/- 0.51) did not differ significantly from nondiabetics.

Adolescent↗
PubMed2000

Pathways of ligand clearance in acetylcholinesterase by multiple copy sampling.

The clearance of seven different ligands from the deeply buried active-site of Torpedo californica acetylcholinesterase is investigated by combining multiple copy sampling molecular dynamics simulations, with the analysis of protein-ligand interactions, protein motion and the electrostatic potential sampled by the ligand copies along their journey outwards. The considered ligands are the cations ammonium, methylammonium, and tetramethylammonium, the hydrophobic methane and neopentane, and the anionic product acetate and its neutral form, acetic acid. We find that the pathways explored by the different ligands vary with ligand size and chemical properties. Very small ligands, such as ammonium and methane, exit through several routes. One involves the main exit through the mouth of the enzyme gorge, another is through the so-called back door near Trp84, and a third uses a side door at a direction of approximately 45 degrees to the main exit. The larger polar ligands, methylammonium and acetic acid, leave through the main exit, but the bulkiest, tetramethylammonium and neopentane, as well as the smaller acetate ion, remain trapped in the enzyme gorge during the time of the simulations. The pattern of protein-ligand contacts during the diffusion process is highly non-random and differs for different ligands. A majority is made with aromatic side-chains, but classical H-bonds are also formed. In the case of acetate, but not acetic acid, the anionic and neutral form, respectively, of one of the reaction products, specific electrostatic interactions with protein groups, seem to slow ligand motion and interfere with protein flexibility; protonation of the acetate ion is therefore suggested to facilitate clearance. The Poisson-Boltzmann formalism is used to compute the electrostatic potential of the thermally fluctuating acetylcholinesterase protein at positions actually visited by the diffusing ligand copies. Ligands of different charge and size are shown to sample somewhat different electrostatic potentials during their migration, because they explore different microscopic routes. The potential along the clearance route of a cation such as methylammonium displays two clear minima at the active and peripheral anionic site. We find moreover that the electrostatic energy barrier that the cation needs to overcome when moving between these two sites is small in both directions, being of the order of the ligand kinetic energy. The peripheral site thus appears to play a role in trapping inbound cationic ligands as well as in cation clearance, and hence in product release.

Acetates↗
PubMed1997

Reaction-diffusion analysis of the effects of temperature on high-energy phosphate dynamics in goldfish skeletal muscle.

Thermal acclimation results in dramatic changes in the fractional volume of mitochondria within skeletal muscle of teleost fish. We investigated the hypothesis that changes in mitochondrial volume represent a compensatory response to temperature-induced changes in intracellular diffusion coefficients (D) of the high-energy phosphate compounds ATP and creatine phosphate (PCr). Using 31P nuclear magnetic resonance spectroscopy, we determined DPCr and DATP in goldfish (Carassius auratus) skeletal muscle at 25 degrees C and 5 degrees C: DPCr was 3.28 +/- 0.18 x 10(-6) cm2s-1 at 25 degrees C and 2.00 +/- 0.90 x 10(-6) cm2s-1 at 5 degrees C: DATP was 2.13 +/- 0.16 x 10(-6) cm2s-1 at 25 degrees C and was estimated to be 1.30 x 10(-6) cm2s-1 at 5 degrees C. There was no evidence for an effect of acclimation temperature or fiber type on DATP or DPCr. A mathematical reaction-diffusion model was used to calculate profiles of [ATP], [PCr] and the free energy of ATP hydrolysis (delta GATP) in activated goldfish muscle fibers at 5 degrees C and 25 degrees C. The results showed spatial and temporal constancy of [ATP], [PCr] and delta GATP in red fibers at both temperatures, regardless of changes in acclimation temperature or mitochondrial density. The model also showed spatial and temporal constancy of [ATP] in white fibers at 5 degrees C and 25 degrees C, but gradients in [PCr] and delta GATP developed in white fibers under all conditions of temperature and acclimation temperature. These gradients were attenuated in cold-acclimated animals by cold-induced increases in mitochondrial density. However, the model shows that the proximal stimulus for temperature-induced changes in mitochondrial volume density in muscle is not a disruption in intracellular diffusion of high-energy phosphates.

Acclimatization↗
PubMed2004

Transdermal permeation of WIN 55,212-2 and CP 55,940 in human skin in vitro.

Synthetic cannabinoids have a promising future as treatments for nausea, appetite modulation, pain, and many neurological disorders. Transdermal delivery is a convenient and desirable dosage form for these drugs and health conditions. The aim of the present study was to investigate the in vitro transdermal permeation of two synthetic cannabinoids, WIN 55,212-2 and CP 55,940. Transdermal flux, drug content in the skin, and lag times were measured in split-thickness human abdominal skin in flow-through diffusion cells with receiver solutions of 4% bovine serum albumin (BSA) or 0.5% Brij 98. Differential thermal analysis (DSC) was performed in order to determine heats of fusion, melting points, and relative thermodynamic activities. The in vitro diffusion studies in 0.5% Brij 98 indicated that WIN 55,212-2 diffuses across human skin faster than CP 55,940. The WIN 55,212-2 skin disposition concentration levels were also significantly higher than that of CP 55,940. Correspondingly, CP 55,940 was significantly metabolized in the skin. WIN 55,212-2 flux and skin disposition were significantly lower into 4% BSA than into 0.5% Brij 98 receiver solutions. There was no significant difference in the flux, lag time, and drug content in the skin of CP 55,940 in 4% BSA versus 0.5% Brij 98 receiver solutions. The DSC studies showed that CP 55,940 had a significantly lower melting point, smaller heat of fusion, and corresponding higher calculated thermodynamic activity than the more crystalline WIN 55,212-2 mesylate salt. The permeation results indicated that WIN 55,212-2 mesylate, CP 55,940, and other potent synthetic cannabinoids with these physicochemical properties could be ideal candidates for the development of a transdermal therapeutic system.

Administration, Cutaneous↗
PubMed1987

Hyperthermia from interstitial laser irradiation in normal rat brain.

This study examined both the effect of variations in optical fiber tip and in light wavelength on laser-induced hyperthermia in rat brain. Normal rat brains were exposed to argon laser light (454-514.5 nm) delivered through an intracerebral end-emitting (bare-tipped) or a diffusion-emitting (sapphire-tipped) optical fiber probe. Interstitial thermistor probes recorded temperatures after thermal equilibration at varying distances from the emitting source. The end-emitting fiber produced significantly (P less than 0.05) higher elevations in tissue temperature than the diffusion-emitting fiber at the same laser power output. This is due to the smaller surface area (1.2 mm2 versus 7.8 mm2) of the end-emitting fiber, which results in a greater rate of energy delivery to tissue adjacent to the fiber tip. Changes in intracerebral temperature measurements were also recorded at similar distances from a diffusion-emitting fiber at a continuous total laser power output of 150 mW for light wavelengths of 454-514.5 nm, 700 nm, and 750 nm and at a total laser output of 1.1 W for 1,060 nm. Variations in brain tissue temperature with distance from the laser emission source were compared for each laser group with the tissue temperature profile generated by a radiofrequency (wavelength 600-625 m) interstitial probe. Similar temperature changes were found for all visible wavelengths near the probe, suggesting that the thermal response of brain adjacent to an interstitial laser fiber is primarily dependent upon the rate of energy delivery and not upon wavelength. The thermal profile versus distance from the light source depends mostly upon the level of temperature rise near the interstitial laser fiber tip and not the wavelength of laser light used. These results have important implications in interstitial applications of laser for hyperthermia and photochemotherapy.

Animals↗
PubMed2004

MR thermometry-based feedback control of laser interstitial thermal therapy at 980 nm.

BACKGROUND AND OBJECTIVES: The goal of this study was to explore the feasibility of magnetic resonance thermal imaging (MRTI)-based feedback control of intracerebral laser interstitial thermal therapy (LITT), using a computer workstation and 980-nm diode laser interfaced to an MR scanner. STUDY DESIGN/MATERIALS AND METHODS: A computer-controlled laser thermal therapy system was used to produce 12 ex vivo lesions in 3 canine and porcine brains and 16 in vivo lesions in 6 canines with diffusing tip fiberoptic applicators and energies from 54 to 900 J. MRTI predictions of thermal damage were correlated with histopathologic analysis. RESULTS: Under feedback control, no carbonization, vaporization, or applicator damage was observed. MRTI-based prediction of thermal dose was not significantly different from histological evaluation of achieved thermal necrosis. CONCLUSIONS: The computer-controlled thermal therapy system was effective at regulating heating, eliminating carbonization and vaporization, and protecting fiberoptic applicators. MRTI estimation of thermal dose accurately predicted achieved thermal necrosis.

Animals↗
PubMedDate not supplied

Healing after arterial dilatation with radiofrequency thermal and nonthermal balloon angioplasty systems.

Thermal balloon angioplasty has been proposed as a means of reducing acute and delayed reclosure of arteries after percutaneous transluminal balloon angioplasty. A radiofrequency (rf) balloon catheter was used to perform thermal balloon angioplasty on canine arteries in vivo. The histologic appearance of rf-treated sites was compared with that of control sites treated by conventional percutaneous transluminal angioplasty. Acutely, rf-treated sites showed a reduced medial cellularity with preservation of internal elastic lamina except at the transitional zone between thermal injury and normal artery, where localized internal elastic lamina disruption was found. Nonthermal sites showed generalized disruption of internal elastic lamina and normal medial cellularity. Both thermal and nonthermal sites displayed a return of intimal cover commencing at 1 to 2 weeks and completed by 4 weeks. Diffuse myointimal hyperplasia appeared by 2 weeks after injury at breaks in the internal elastic lamina along the nonthermal vessels but was localized to the transitional zone in thermal injury sites. In rf-treated vessels, repopulation of the acellular thermally modified media had commenced by 4 weeks, and by 8 weeks the media was diffusely repopulated by spindle-shaped cells resembling smooth muscle cells lying between and aligned with preserved connective tissue laminae. Overall, the distribution and extent of the proliferative response after rf thermal balloon angioplasty were less than those seen after nonthermal balloon angioplasty. Thermal sites, which underwent reintimalization before medial cells returned, were considerably less prone to the development of myointimal hyperplasia. These results suggest that this modality may have beneficial effects on arterial healing after angioplasty.

Angiography↗
PubMed1993

Temperature differentials between treatment and pretreatment temperatures correlate with local control following radiotherapy and hyperthermia.

PURPOSE: To evaluate the influence of pretreatment tumor temperatures and the temperature differential between treatment and pretreatment temperatures on local tumor control in patients who underwent combined radiation therapy and hyperthermia. METHODS AND MATERIALS: Mapped intratumoral temperatures were measured immediately prior to and during hyperthermia in 138 hyperthermia fields among 59 patients with nodular (60 fields) or diffuse (78 fields) superficially-located tumors. In the nodular subgroup there were 40 fields with adenocarcinomas (31 breast, two prostate, seven other primary sites), six melanomas, nine squamous cell carcinomas, and five other histologies. The fields with diffuse tumor involvement consisted of 77 adenocarcinomas (67 breast, 10 other) and one melanoma. The maximum, minimum, and average temperatures were determined for both the pretreatment (pTmax, pTmin, pTave) and treatment (Tmax, Tmin, Tave) distributions and the differences, Dm = Tmin-pTmax, and Da = Tmin-pTave, computed. These quantities were averaged over treatments to produce the corresponding mean quantities for each hyperthermia field. Univariate and multivariate analyses were performed to determine treatment and pretreatment parameters which best correlated with the duration of local control. RESULTS: Pretreatment tumor temperatures were significantly lower than the oral temperatures with mean pTmax, mean pTmin, and mean pTave of 36.2 degrees C, 34.2 degrees C, and 35.4 degrees C, respectively. For the adenocarcinomas with diffuse involvement within the hyperthermia field, the covariates best correlating with local control duration on univariate analysis were concurrent radiation dose (p = 0.0026), Dm (p = 0.009), pTmax (p = 0.012) and Da (p = 0.036). Lower pTmax and larger Dm and Da were predictive for longer local control. In multivariate analyses, all thermal parameters lost power, however, the best model included Dm which was significant at the p = 0.040 level. For the nodular subgroup, nonthermal parameters and dichotomized thermal parameters were of prognostic significance for local control. CONCLUSION: For fields diffusely involved with adenocarcinoma significant correlations with duration of local control have been demonstrated both for a) low pretreatment temperatures and b) large differentials between treatment and pretreatment intratumoral temperatures. These correlations were also found in a dichotomized description for fields with nodular tumors. The results support the concept that pretreatment hypothermic conditions can lead to an increase in thermal sensitization and may help explain the excellent clinical results noted in the treatment of superficial tumors with radiation and hyperthermia. Further exploitation of this approach by planned cooling of superficially-located recurrent tumors prior to hyperthermia treatment warrants investigation.

Body Temperature↗
PubMed2007

The effects of intense pulsed light (IPL) on blood vessels investigated by mathematical modeling.

BACKGROUND AND OBJECTIVES: Intense pulsed light (IPL) sources have been successfully used for coagulation of blood vessels in clinical practice. However, the broadband emission of IPL hampers the clinical evaluation of optimal light parameters. We describe a mathematical model in order to visualize the thermal effects of IPL on skin vessels, which was not available, so far. STUDY DESIGN/MATERIALS AND METHODS: One IPL spectrum was shifted towards the near infrared range (near IR shifted spectrum: NIRSS) and the other was heavily shifted toward the visible range (visible shifted spectrum: VSS). The broadband emission was separated in distinct wavelengths with the respective relative light intensity. For each wavelength, the light and heat diffusion equations were simultaneously solved with the finite element method. The thermal effects of all wavelengths at the given radiant exposure (15 or 30 J/cm2) were added and the temperature in the vessels of varying diameters (60, 150, 300, 500 microm) was calculated for the entire pulse duration of 30 milliseconds. RESULTS: VSS and NIRSS both provided homogeneous heating in the entire vessel. With the exception of the small vessels (60 microm), which showed only a moderate temperature increase, all vessels exhibited a temperature raise within the vessel sufficient for coagulation with each IPL parameter. The time interval for effective temperature raise in larger vessels (diameter >60 microm) was clearly shorter than the pulse duration. In most instances, the vessel temperature was higher for VSS when compared to NIRSS. CONCLUSIONS: We presented a mathematical model capable of calculating the photon distribution and the thermal effects of the broadband IPL emission within cutaneous blood vessels.

Blood Vessels↗
PubMed2001

Diffusion-broadened velocity spectra of convection in variable-temperature BP-LED experiments.

When NMR diffusion experiments are performed at temperatures different from ambient temperature, temperature gradients due to probe design can cause thermal convection and therefore significantly affect the signal amplitude. Fourier transformation of the signal amplitude gives rise to a diffusion-broadened velocity spectrum, which contains information about the convection velocity. It is shown that when the diffusion broadening factor is smaller than the maximum velocity, the broadening has little effect on the determination of the maximum velocity. Thus, convection velocity can be determined in the presence of diffusion.

Journal Article↗
PubMed2005

Evaluation of methods to obtain geosorbent fractions enriched in carbonaceous materials that affect hydrophobic organic chemical sorption.

To better understand sorption, separation methods are needed to enrich soils and sediments in one or more types of carbonaceous materials (CM), especially in fine grain materials where physical separation is not possible. We evaluated a series of chemical and thermal treatment methods by applying them to four different CMs prepared in our laboratory: a humic acid (HA), a char, a soot, and a heat-treated soot (HN-soot). Before and after each treatment step, CM properties were evaluated including aqueous phase sorption with trichloroethene (TCE). Results indicate that treatment with hydrofluoric (HF) and hydrochloric acid (HCI) to remove silicate minerals, and with trifluoroacetic acid (TFA) to remove easily hydrolyzable organic matter, has relatively little effect on the humic acid mass (<19% change) and TCE sorption to this material. Subsequent treatment with NaOH to extract fulvic and humic acids results in almost complete removal of the humic acid mass (>92%) and has little to no effect on the masses of the char and two soots (<8% change) and TCE sorption to these materials. Treatment with acid dichromate to remove kerogen and humin also has little effect on masses of the char and soots (<16% change), but TCE sorption to these materials is significantly altered (by >10x in some cases), and there is strong evidence of surface oxidation based on X-ray photoelectron and diffuse reflectance Fourier transform infrared spectroscopy results. The last step, thermal treatment, which targets char removal, also destroys >96% of the soots pretreated with acid dichromate. However, when thermal treatment is applied to the original soots, <32% of these materials are destroyed. Thermal oxidation also affects sorption to one of the soots (by approximately 2x at low concentration), and surface oxidation is evident. These results suggest that treatment with HCl, HCl/HF, TFA, and NaOH can be applied to soils and sediments to obtain CM enrichment fractions for sorption evaluation, but that acid dichromate and heat treatment may not be appropriate for these purposes.

Adsorption↗
PubMed1999

Ionic Diffusivity, Electrical Conductivity, Membrane and Thermoelectric Potentials in Colloids and Granular Porous Media: A Unified Model.

Ionic diffusivity, electrical conductivity, membrane and thermoelectric potentials in isotropic and homogeneous colloidal suspensions, and granular porous media saturated by a binary symmetric 1:1 electrolyte are four interrelated phenomena. The microstructure and the surface properties of the solid grains-water interface influence directly these properties. The ionic diffusivities (and the electrical conductivity, respectively) in colloids and porous media have contributions from diffusion (and electromigration, respectively) through the bulk solution occupying the pores, together with electromigration occurring at the grains-water interface in the electrical double layer. Surface diffusion in porous materials has no contribution from concentration gradients along the grains-water interface. Instead, surface diffusion is envisioned as a purely electromigration process due to the membrane potential. The tortuosities of the transport of anions and cations are equal to the bulk tortuosity of the pore space only at high ionic strength. As the ionic strength decreases, the dominant paths for transport of the ion corresponding to the counterion of the electrical double layer shift from the pore space to the solid grains-water interface. Because anions and cations do not move independently, the membrane potential created by the charge polarization alters the velocity of the anions and influences the mutual diffusivity coefficient of the salt in the porous material. An electric potential of thermal origin is also produced in nonisothermal conditions. The ionic contributions to the electrical conductivity are based on a differential effective medium approach. These ionic contributions to the electrical conductivity are used to derive the ionic diffusivities and the membrane and thermoelectric potentials. The influence of the temperature and the presence, in the pore space, of a second immiscible and nonwetting phase is also considered in this model. Porosity is shown to affect the membrane potential. Several predictions of the model are checked with success by comparing the model to a set of experimental data previously published. Copyright 1999 Academic Press.

Journal Article↗
PubMed2006

Physical and thermal characterisation of chiral omeprazole sodium salts.

The physical properties of drug substances may affect stability, manufacturing, dissolution and bioavailability. Variations in the degree of crystallinity in a pharmaceutical substance may exhibit physicochemical differences that impact at therapeutic, manufacturing, commercial and legal levels, yet no reference has been found on the physical properties of micronised omeprazole. This study reports on the physical and thermal characterisation of the sodium salts of S- and R-omeprazole, using diffuse reflectance infrared Fourier transform spectroscopy (DRIFT), scanning electron microscopy (SEM), differential scanning calorimetry (DSC), microthermal analysis (microTA) and powder X-ray diffraction (XRPD). DSC experiments were performed in order to determine not only their thermal stability, but also the thermal history of both forms. SEM results indicate similar morphology, particle size and shape of powdered drug, while, microTA of processed discs shows different topographical images for S- and R-omeprazole, exhibiting a smoother surface for the S-form, indicative of the smoother particle size not evident in the SEM results. The low level of crystallinity of both enantiomers was confirmed by DRIFT spectroscopy and XRPD. Thermal stability by DSC of S- and R-omeprazole sodium salts was superior to that of the neutral omeprazole. This study has examined the physical and thermal properties of both forms and in highlighting their differences provides an explanation for the potential differences in bioavailability and therapeutic efficacy.

Calorimetry, Differential Scanning↗