Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid

Two drug-drug co-crystals of the anti-tuberculosis drugs isoniazid (INH), pyrazinamide (PYR) and 4-aminosalicylic acid (PAS) are reported. The first is the 1 : 1 molecular complex of INH and PAS. The second is the monohydrate of the 1 : 1 complex of PYR and PAS. The crystal structures of both co-crystals are characterized by a number of hydrogen bonded synthons. Hydrogen bonding of the COOH center dot center dot center dot N-pyridine type is found in both cases. In the INH : PAS co-crystal, there are two symmetry independent COOH center dot center dot center dot center dot N-pyridine hydrogen bonds. In one of these, the H-atom is located on the carboxylic group and is indicative of a co-crystal. In the second case, partial proton transfer occurs across the hydrogen bond, and the extent of proton transfer depends on the temperature. This is more indicative of a salt. Drug-drug co-crystals may have some bearing in the treatment of tuberculosis.

Unified approach to the constraint counting theory of glasses

An approach to the constraint counting theory of glasses is applied to many glass systems which include an oxide, chalcohalide, and chalcogenides. In this, shifting of the percolation threshold due to noncovalent bonding interactions in a basically covalent network and other recent extensions of the theory appear natural. This is particularly insightful and reveals that the chemical threshold signifies another structural transition along with the rigidity percolation threshold, thus unifying these two seemingly disparate toplogical concepts. [S0163-1829(99)11441-3].

Implications of the half-duplex constraint on relay-aided cooperation using rateless codes

The half-duplex constraint, which mandates that a cooperative relay cannot transmit and receive simultaneously, considerably simplifies the demands made on the hardware and signal processing capabilities of a relay. However, the very inability of a relay to transmit and receive simultaneously leads to a potential under-utilization of time and bandwidth resources available to the system. We analyze the impact of the half-duplex constraint on the throughput of a cooperative relay system that uses rateless codes to harness spatial diversity and efficiently transmit information from a source to a destination. We derive closed-form expressions for the throughput of the system, and show that as the number of relays increases, the throughput approaches that of a system that uses more sophisticated full-duplex nodes. Thus, half-duplex nodes are well suited for cooperation using rateless codes despite the simplicity of both the cooperation protocol and the relays.

Constraint loss under dynamic loading in rate independent plastic solids

The objectives of this paper are to examine the loss of crack tip constraint in dynamically loaded fracture specimens and to assess whether it can lead to enhancement in the fracture toughness at high loading rates which has been observed in several experimental studies. To this end, 2-D plane strain finite element analyses of single edge notched (tension) specimen and three point bend specimen subjected to time varying loads are performed. The material is assumed to obey the small strain J(2) flow theory of plasticity with rate independent behaviour. The results demonstrate that a valid J-Q field exists under dynamic loading irrespective of the crack length and specimen geometry. Further, the constraint parameter Q becomes strongly negative at high loading rates, particularly in deeply cracked specimens. The variation of dynamic fracture toughness K-dc with stress intensity rate K for cleavage cracking is predicted using a simple critical stress criterion. It is found that inertia-driven constraint loss can substantially enhance K-dc for (K) over dot > 10(5) MPa rootm/s.

Study of translational and rotational mobility and orientational preference of ethane in one-dimensional channels

Structural and dynamical properties of ethane in one-dimensional channels of AlPO4-5 and carbon nanotube have been investigated at dilute concentration with the help of molecular dynamics simulation. Density distributions and orientational structure of ethane have been analyzed. Repulsive interactions seem to play an important role when ethane is located in the narrow part of the AlPO4-5 channel. In AlPO4-5, parallel orientation is predominant over perpendicular orientation except when ethane is located in the broader part of the channel. Unlike in the case of single-file diffusion, our results in carbon nanotube show that at dilute concentrations the mean squared displacement, mu(2)(t) approximate to t(alpha), alpha = 1.8. The autocorrelation function for the z-component of angular velocity of ethane in space-fixed frame of reference shows a pronounced negative correlation. This is attributed to the restriction in the movement of ethane along the x- and y- directions. It is seen that the ratio of reorientational correlation times does not follow the Debye model for confined ethane but it is closer to the predictions of the Debye model for bulk ethane.

Effect of lattice orientation on crack tip constraint in ductile single crystals

In this work, the effect of lattice orientation on the fields prevailing near a notch tip is investigated pertaining to various constraint levels in FCC single crystals. A modified boundary layer formulation is employed and numerical solutions under mode I, plane strain conditions are generated by assuming an elastic-perfectly plastic FCC single crystal. The analysis is carried out corresponding to different lattice orientations with respect to the notch line. It is found that the near-tip deformation field, especially the development of kink or slip shear bands is sensitive to the constraint level. The stress distribution and the size and shape of the plastic zone near the notch tip are also strongly influenced by the level of T-stress. The present results clearly establish that ductile single crystal fracture geometries would progressively lose crack tip constraint as the T-stress becomes more negative irrespective of lattice orientation. Also, the near-tip field for a range of constraint levels can be characterized by two-parameters such as K-T or J-Q as in isotropic plastic solids.

Probing the mobility of lithium in LISICON: Li+/H+ exchange studies in Li2ZnGeO4 and Li2+2xZn1-xGeO4

We investigated Li+/H+ exchange in the lithium ion conductors (LISICONS) [ Li2+2xZn1-xGeO4; x = 0.5 ( I) and x = 0.75 (II)] and their parent, gamma-Li2ZnGeO4. Facile exchange of approximately 2x lithium ions per formula unit occurs with both the LISICONS in dilute acetic acid, while the parent material does not exhibit an obvious Li+/H+ exchange under the same conditions. The results can be understood in terms of lithium ion distribution in the crystal structures: the parent Li2ZnGeO4, where all the lithium ions form part of the tetrahedral framework structure, does not exhibit a ready Li+/H+ exchange; LISICONS, where lithium ions are distributed between framework ( tetrahedral) and nonframework sites, undergo a facile Li+/H+ exchange of the nonframework site lithium ions. Accordingly, Li+/H+ exchange in dilute aqueous acetic acid provides a convenient probe to distinguish between the mobile and the immobile lithium ions in lithium ion conductors.

Realizing a flexible constraint length Viterbi decoder for software radio on a de Bruijn interconnection network

Building flexible constraint length Viterbi decoders requires us to be able to realize de Bruijn networks of various sizes on the physically provided interconnection network. This paper considers the case when the physical network is itself a de Bruijn network and presents a scalable technique for realizing any n-node de Bruijn network on an N-node de Bruijn network, where n < N. The technique ensures that the length of the longest path realized on the network is minimized and that each physical connection is utilized to send only one data item, both of which are desirable in order to reduce the hardware complexity of the network and to obtain the best possible performance.

Nonlinear Model Predictive Spread Acceleration Guidance with Impact Angle Constraint for Stationary Targets

A new technique named as model predictive spread acceleration guidance (MPSAG) is proposed in this paper. It combines nonlinear model predictive control and spread acceleration guidance philosophies. This technique is then used to design a nonlinear suboptimal guidance law for a constant speed missile against stationary target with impact angle constraint. MPSAG technique can be applied to a class of nonlinear problems, which leads to a closed form solution of the lateral acceleration (latax) history update. Guidance command assumed is the lateral acceleration (latax), applied normal to the velocity vector. The new guidance law is validated by considering the nonlinear kinematics with both lag-free as well as first order autopilot delay. The simulation results show that the proposed technique is quite promising to come up with a nonlinear guidance law that leads to both very small miss distance as well as the desired impact angle.

Nonlinear Model Predictive Spread Acceleration Guidance with Impact Angle Constraint for Slow-moving Targets

A new technique named as model predictive spread acceleration guidance (MPSAG) is proposed in this paper. It combines nonlinear model predictive control and spread acceleration guidance philosophies. This technique is then used to design a nonlinear suboptimal guidance law for a constant speed missile against stationary target with impact angle constraint. MPSAG technique can be applied to a class of nonlinear problems, which leads to a closed form solution of the lateral acceleration (latax) history update. Guidance command assumed is the lateral acceleration (latax), applied normal to the velocity vector. The new guidance law is validated by considering the nonlinear kinematics with both lag-free as well as first order autopilot delay. The simulation results show that the proposed technique is quite promising to come up with a nonlinear guidance law that leads to both very small miss distance as well as the desired impact angle.

Nonlinear Suboptimal Guidance with Impact Angle Constraint for Slow Moving Targets in 1-D Using MPSP

Using a recently developed method named as model predictive static programming (MPSP), a nonlinear suboptimal guidance law for a constant speed missile against a slow moving target with impact angle constraint is proposed. In this paper MPSP technique leads to a closed form solution of the latax history update for the given problem. Guidance command is the latax,which is normal to the missile velocity and the terminal constraints are miss distance and impact angle. The new guidance law is validated by considering the nonlinear kinematics with both lag-free and first order autopilot delay.