Biomedical subjects

I Charpentier

Publications and source records attributed to I Charpentier.

8 recordsLinked to original sources

PubMed2005

Phase diagram of complex fluids using an efficient integral equation method.

We present an adaptive technique for the determination of the phase diagram of fluids within the integral equation theory. It enables an efficient and accurate systematic mapping of the thermodynamic space in order to construct the binodal and spinodal lines. Results are obtained with the thermodynamically consistent integral equation proposed by Sarkisov [J. Chem. Phys. 114, 9496 (2001)] within the tangent linear technique that yields an exact differentiation of correlation functions. The generality of the numerical approach is assessed by determining both the liquid-vapor coexistence and the critical parameters of the generalized Lennard-Jones (n,6) potentials with varying repulsive part, including the hard-sphere limit.

Journal Article↗

PubMed2003

Direct excess entropy calculation for a Lennard-Jones fluid by the integral equation method.

The present work is devoted to the calculation of excess entropy by means of correlation functions, in the framework of integral equation theory. The tangent linear method is set up to get exact thermodynamic derivatives of the pair-correlation function, essential for the calculation of the physical quantities, as well as to carry out an optimization process for the achievement of thermodynamic consistency. The two-body entropy of the Lennard-Jones fluid is in very good agreement with the available molecular dynamics results, attesting the high degree of accuracy of the integral equation scheme. It is shown that an accurate prediction of the excess entropy and the resulting residual multiparticle entropy relies on the correct evaluation of the excess chemical potential, especially at high density. Two independent routes to calculate the latter are compared, and the consequences are discussed.

Journal Article↗

PubMed2002

Does nutritive and non-nutritive sucking reduce other oral behaviors and stimulate rest in calves?

After a milk meal, bucket-fed calves show non-nutritive oral activities, including cross-sucking, and this can discourage producers from rearing them in groups. Sucking is known to induce a quiet state in humans and rats. We examined if nutritive sucking affects non-nutritive oral activities in calves, if it reduces arousal (assessed through behavior and cardiac activity), and if sucking a dry teat can compensate for the lack of nutritive sucking. In Exp. 1, the behavior and the cardiac activity of individually housed calves fed milk from a bucket were compared to those of calves fed milk through a teat. During the meal, the heart rate of bucket-fed calves was higher than that of teat-fed calves (P < 0.0001). After the meal, only bucket-fed calves displayed bar sucking. Compared to the teat-fed calves, they spent more time licking their pen or their neighbor (P < 0.001 and P < 0.05), their heart rate was less variable (P < 0.01), and they lay down with the head unsupported by the neck less quickly (latency to lie down: 51 min vs 42 min, P < 0.05). In Exp. 2, individually-housed bucket-fed and teat-fed calves were observed with or without access to a non-nutritive teat after the meal. Bucket-fed calves sucked the dry teat for longer than teat-fed calves (P < 0.001). In bucket-fed calves, access to the dry teat reduced the time spent nibbling (P < 0.01) and tended to shorten the latency to lie down (P < 0.10). In Exp. 3, group-housed bucket-fed calves were compared with group-housed calves fed with an automatic teat feeder system. Bucket-fed calves spent more time nibbling at 1 mo, but at 3 mo they spent less time nibbling and cross-sucking; they drank more milk and put on more weight. We conclude that, for calves housed individually, teat-feeding reduces non-nutritive oral activities after the meal and induces a calmer state than bucket-feeding. Providing calves with a dry teat partly compensates for the lack of nutritive sucking. For calves housed in groups, the use of an automatic teat feeder may not reduce calves' motivation for sucking. No improvement of growth was observed with teat-feeding either with a teat-bucket or with an automatic feeder.

Animal Husbandry↗

PubMed2000

Effects of dispersion forces on the structure and thermodynamics of fluid krypton

Semianalytical and numerical calculations are performed to predict the structural and thermodynamic properties of low-density Kr fluid. Assuming that the interatomic forces can be modelled by a pairwise potential plus the three-body Axilrod-Teller potential, two different routes are explored. The first one is based on the hybridized mean spherical approximation integral equation of the theory of liquids and the second one uses large-scale molecular dynamics (MD). Algorithms for MD simulation are constructed on parallel machines to reduce the amount of computer time induced by the calculations of the three-body forces and the pair-correlation function. Our results obtained with the two methods mentioned above are in quite good agreement with the recent small-angle neutron-scattering experiments [Formisano et al., Phys. Rev. Lett. 79, 221 (1997); Benmore et al., J. Phys.: Condens. Matter 11, 3091 (1999)]. Moreover, the reliability of the asymptotic form of the integral equation is assessed for the specific case of dispersion forces including the three-body contributions, by an analysis at low wave vector and low density. It is seen that the effects of the Axilrod-Teller triple-dipole potential cannot be ignored to describe the structure and the thermodynamic properties of fluid krypton even at low density.

Journal Article↗

PubMed1992

Alpha-cobratoxin: proton NMR assignments and solution structure.

The solution structure of alpha-cobratoxin, a neurotoxin purified from the venom of the snake Naja naja siamensis, at pH 3.2 is reported. Sequence-specific assignments of the NMR resonances was attained by a combination of a generalized main-chain-directed strategy and of the sequential method. The NMR data show the presence of a triple-stranded beta-sheet (residues 19-25, 36-41, and 52-57), a short helix, and turns. An extensive number of NOE cross peaks were identified in the NOESY NMR maps. These were applied as distance constraints in a molecular modeling protocol which includes distance geometry and dynamical simulated annealing calculations. A single family of structures is observed which fold in such a way that three major loops emerge from a globular head. The solution and crystal structures of alpha-cobratoxin are very similar. This is in clear contrast to results reported for alpha-bungarotoxin where significant differences exist.

Amino Acid Sequence↗

PubMed1992

Anti-idiotypic and anti-anti-idiotypic responses to a monoclonal antibody directed to the acetylcholine receptor binding site of curaremimetic toxins.

Serotherapy, an approach currently used to protect humans against animal bites or stings, is often too specific. To broaden antiserum paraspecificity, use of antibodies directed against areas shared by all members of a toxin family was previously proposed. MST2 is a mAb that recognizes all long-chain curaremimetic toxins (Charpentier et al. (1990) J. Mol. Recog. 3, 74-81). It binds to toxin residues that make contact with the toxin's target, e.g., the nicotinic acetylcholine receptor (AcChoR). We now show that MST2 also recognizes (-) nicotine, an agonist of AcChoR. Binding properties of MST2 therefore mimick, at least partially, binding properties of AcChoR. Injection in rabbits of MST2 mixed with adjuvant, elicited anti-idiotypic (anti-Id) antibodies that inhibited binding of the toxin to AcChoR. A proportion of these anti-Id antibodies specifically bound AcChoR and thereby mimicked the toxin. Furthermore, rabbits immunized with MST2 elicited auto-anti-anti-Id antibodies capable of binding the toxin. Our data provide a molecular explanation for the previously reported signs of myasthenia gravis as triggered by antibodies raised against cholinergic antagonists. Implications in the design of antisera to toxic proteins are discussed.

Animals↗

PubMed1990

Recognition of the acetylcholine receptor binding site of a long-chain neurotoxin by toxin-specific monoclonal antibodies.

The present paper reports the preparation and characterization of two neutralizing monoclonal antibodies (Mabs), called MST1 and MST2, which bind at the central loop of a long-chain neurotoxin from cobra venom. The central loop is a critical region for the binding of the toxin to the nicotinic acetylcholine receptor. Some of the residues incorporated in the epitopes recognized by MST1 and MST2 have been identified on the basis of competition experiments using a set of 'chemical mutants' of the toxin. We show that MST1 and MST2 bind at the base and at the tip of the central loop of the toxin, respectively, however, only MST2 actually overlaps the acetylcholine receptor binding site. Accordingly, only MST2 is capable of recognizing all homologous toxins so far examined. MST2, therefore, mimicks, at least partially, the site by which the nicotinic acetylcholine receptor recognizes a long-chain neurotoxin.

Amino Acid Sequence↗

PubMed1990

Rapid determination and NMR assignments of antiparallel sheets and helices of a scorpion and a cobra toxin.

An NMR method is described which should provide a rapid means for determining and assigning antiparallel sheets and helices in small proteins. It begins by locating apparent NOESY crosspeaks which suggest the presence of the secondary structure; this is followed by searches for MCD patterns (Englander & Wand (1987) Biochemistry 22, 5953) which are characteristic of these structures. As a result, only spin-systems of the amino acids within the secondary structure need to be defined. A triple-stranded, antiparallel sheet and a helix have been found and assigned for both alpha-cobratoxin and the scorpion toxin AaH III.

Animals↗