Computational analysis and physico-chemical characterization of an inclusion compound between praziquantel and methyl-beta-cyclodextrin for use as an alternative in the treatment of schistosomiasis

Schistosomiasis is still an endemic disease in many regions, with 250 million people infected with Schistosoma and about 500,000 deaths per year. Praziquantel (PZQ) is the drug of choice for schistosomiasis treatment, however it is classified as Class II in the Biopharmaceutics Classification System, as its low solubility hinders its performance in biological systems. The use of cyclodextrins is a useful tool to increase the solubility and bioavailability of drugs. The aim of this work was to prepare an inclusion compound of PZQ and methyl-beta-cyclodextrin (MeCD), perform its physico-chemical characterization, and explore its in vitro cytotoxicity. SEM showed a change of the morphological characteristics of PZQ:MeCD crystals, and IR data supported this finding, with changes after interaction with MeCD including effects on the C-H of the aromatic ring, observed at 758 cm(-1). Differential scanning calorimetry measurements revealed that complexation occurred in a 1:1 molar ratio, as evidenced by the lack of a PZQ transition temperature after inclusion into the MeCD cavity. In solution, the PZQ UV spectrum profile in the presence of MeCD was comparable to the PZQ spectrum in a hydrophobic solvent. Phase solubility diagrams showed that there was a 5.5-fold increase in PZQ solubility, and were indicative of a type A(L) isotherm, that was used to determine an association constant (K(a)) of 140.8 M(-1). No cytotoxicity of the PZQ:MeCD inclusion compound was observed in tests using 3T3 cells. The results suggest that the association of PZQ with MeCD could be a good alternative for the treatment of schistosomiasis.

Inverse kinematics for upper limb compound movement estimation in exoskeleton-assisted rehabilitation

Robot-Assisted Rehabilitation (RAR) is relevant for treating patients affected by nervous system injuries (e.g., stroke and spinal cord injury) -- The accurate estimation of the joint angles of the patient limbs in RAR is critical to assess the patient improvement -- The economical prevalent method to estimate the patient posture in Exoskeleton-based RAR is to approximate the limb joint angles with the ones of the Exoskeleton -- This approximation is rough since their kinematic structures differ -- Motion capture systems (MOCAPs) can improve the estimations, at the expenses of a considerable overload of the therapy setup -- Alternatively, the Extended Inverse Kinematics Posture Estimation (EIKPE) computational method models the limb and Exoskeleton as differing parallel kinematic chains -- EIKPE has been tested with single DOFmovements of the wrist and elbow joints -- This paper presents the assessment of EIKPEwith elbow-shoulder compoundmovements (i.e., object prehension) -- Ground-truth for estimation assessment is obtained from an optical MOCAP (not intended for the treatment stage) -- The assessment shows EIKPE rendering a good numerical approximation of the actual posture during the compoundmovement execution, especially for the shoulder joint angles -- This work opens the horizon for clinical studies with patient groups, Exoskeleton models, and movements types --

Incorporation of dietary nitrogen from fish meal and pea meal ( Pisum sativum ) in muscle tissue of Pacific white shrimp ( Litopenaeus vannamei ) fed low protein compound diets

Stable isotope analyses were applied to explore the relative dietary nitrogen contributions from fish meal and pea meal (Pisum sativum) to muscle tissue of Pacific white shrimp postlarvae (141 ± 31 mg) fed low protein diets having different proportions of both ingredients as the sole dietary protein sources. A negative control diet was formulated to contain 100% pea meal and six more isoproteic diets to have decreasing levels of pea meal-derived nitrogen: 95%, 85%, 70%, 55%, 40% and 0% of the initial level. Growth rates were negatively correlated to dietary pea protein inclusion due to progressive essential amino acid deficiencies (sulphur amino acids, threonine, lysine, histidine). The nitrogen turnover rate significantly increased in muscle tissue of shrimps fed diets having high levels of pea meal; however, contrary to observations from a previous study using soy protein, the relative contributions of dietary nitrogen from pea meal to shrimp muscle tissue were equal or higher than expected contributions established by the dietary formulations. Results highlight the effectiveness of stable isotope analysis in assessing the nutritional contributions of alternative ingredients for aquaculture feeds and the potential suitability of pea as a source of protein (provided the diets are nutritionally balanced)

Antifungal compound produced by the cassava endophyte Bacillus pumilus MAIIIM4A.

2009

The Development of Calibrants through Characterization of Volatile Organic Compounds from Peroxide Based Explosives and a Non-target Chemical Calibration Compound

Detection canines represent the fastest and most versatile means of illicit material detection. This research endeavor in its most simplistic form is the improvement of detection canines through training, training aids, and calibration. This study focuses on developing a universal calibration compound for which all detection canines, regardless of detection substance, can be tested daily to ensure that they are working with acceptable parameters. Surrogate continuation aids (SCAs) were developed for peroxide based explosives along with the validation of the SCAs already developed within the International Forensic Research Institute (IFRI) prototype surrogate explosives kit. Storage parameters of the SCAs were evaluated to give recommendations to the detection canine community on the best possible training aid storage solution that minimizes the likelihood of contamination. Two commonly used and accepted detection canine imprinting methods were also evaluated for the speed in which the canine is trained and their reliability. As a result of the completion of this study, SCAs have been developed for explosive detection canine use covering: peroxide based explosives, TNT based explosives, nitroglycerin based explosives, tagged explosives, plasticized explosives, and smokeless powders. Through the use of these surrogate continuation aids a more uniform and reliable system of training can be implemented in the field than is currently used today. By examining the storage parameters of the SCAs, an ideal storage system has been developed using three levels of containment for the reduction of possible contamination. The developed calibration compound will ease the growing concerns over the legality and reliability of detection canine use by detailing the daily working parameters of the canine, allowing for Daubert rules of evidence admissibility to be applied. Through canine field testing, it has been shown that the IFRI SCAs outperform other commercially available training aids on the market. Additionally, of the imprinting methods tested, no difference was found in the speed in which the canines are trained or their reliability to detect illicit materials. Therefore, if the recommendations discovered in this study are followed, the detection canine community will greatly benefit through the use of scientifically validated training techniques and training aids.

On continuous families of geometric Seifert conemanifold structures

In this paper, dedicated to Prof. Lou Kauffman, we determine the Thurston’s geometry possesed by any Seifert fibered conemanifold structure in a Seifert manifold with orbit space (Formula presented.) and no more than three exceptional fibers, whose singular set, composed by fibers, has at most three components which can include exceptional or general fibers (the total number of exceptional and singular fibers is less than or equal to three). We also give the method to obtain the holonomy of that structure. We apply these results to three families of Seifert manifolds, namely, spherical, Nil manifolds and manifolds obtained by Dehn surgery on a torus knot (Formula presented.). As a consequence we generalize to all torus knots the results obtained in [Geometric conemanifolds structures on (Formula presented.), the result of (Formula presented.) surgery in the left-handed trefoil knot (Formula presented.), J. Knot Theory Ramifications 24(12) (2015), Article ID: 1550057, 38pp., doi: 10.1142/S0218216515500571] for the case of the left handle trefoil knot. We associate a plot to each torus knot for the different geometries, in the spirit of Thurston.