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First-Principles Analysis of Molecular Conduction Using Quantum Chemistry Software
Prashant Damle,Avik W. Ghosh,Supriyo Datta
Physics , 2002, DOI: 10.1016/S0301-0104(02)00496-2
Abstract: We present a rigorous and computationally efficient method to do a parameter-free analysis of molecular wires connected to contacts. The self-consistent field approach is coupled with Non-equilibrium Green's Function (NEGF) formalism to describe electronic transport under an applied bias. Standard quantum chemistry software is used to calculate the self-consistent field using density functional theory (DFT). Such close coupling to standard quantum chemistry software not only makes the procedure simple to implement but also makes the relation between the I-V characteristics and the chemistry of the molecule more obvious. We use our method to interpolate between two extreme examples of transport through a molecular wire connected to gold (111) contacts: band conduction in a metallic (gold) nanowire, and resonant conduction through broadened, quasidiscrete levels of a phenyl dithiol molecule. We obtain several quantities of interest like I-V characteristic, electron density and voltage drop along the molecule.
Probiotic-assisted colon-specific delivery of diclofenac sodium from guar gum matrix tablets: In vitro evaluation
Ghosh Prashant,Gupta Vipin,Gondoliya Bhavik,Rathore Mahendra
Asian Journal of Pharmaceutics , 2010,
Abstract: Purpose : The aim of present work was to investigate the in vitro release profile of diclofenac sodium from matrix tablets, which were prepared using guar gum with and without probiotics. Methods : Six matrix tablets formulations (F1-F6) of diclofenac sodium containing varying proportions of guar gum, 10-60% of tablet weight were prepared by wet granulation method and evaluated in vitro for their release profile. Four matrix tablets formulations (F7-F10) of diclofenac with guar gum (40%) were prepared incorporating varying concentration of commercial spores of lactobacillus and bifidobacterium species that are commonly found in colon microflora. Results : The tablets having same concentration of guar gum without probiotics (F4) showed a 54.47% cumulative release of diclofenac after 24 hr while that in presence of probiotics (F9) was 73.01%. These drug release studies were conducted without rat caecal content. In another set of experiments, the drug release studies were carried out in presence of rat caecal content. In such experiments, more than 95% drug was released from F4 and F9 formulations after 24 hr. Conclusion : The results showed that commercial probiotics are capable in digesting guar gum. These probiotics may be used to assist in colon delivery of drugs from formulations prepared with guar gum.
Mental Health Needs of Young People with Problematic Drug and Alcohol Use in Manchester
Ruth Marshall,Louise Theodosiou,Prashant Bhat,Anita Ghosh
ISRN Public Health , 2012, DOI: 10.5402/2012/973850
Abstract:
Mental Health Needs of Young People with Problematic Drug and Alcohol Use in Manchester
Ruth Marshall,Louise Theodosiou,Prashant Bhat,Anita Ghosh,Jade Ark
ISRN Public Health , 2012, DOI: 10.5402/2012/973850
Abstract: Background. Studies have indicated possible links between substance use disorder and other psychiatric disorders and suggested a high prevalence of unmet mental health needs amongst those with substance use disorders compared to the general population. Method. The study investigated the mental health needs of adolescents attending a substance misuse service. Mental health needs were assessed using the Strengths and Difficulties Questionnaire, the Conners screen for Attention Deficit Hyperactivity Disorder and a brief measure ascertaining demographics, drug use, and the service required by young people. Results. Young people were found to have higher than normal rates of mental health problems; this was not reflected in referral rates from the service. Conclusion. The findings are relevant to both commissioners and service providers. There is a need for integration between mental health services and those working with young substance users to provide a model of care that caters for dual diagnosis. Furthermore, offering mental health training to teams working with drug-using young people is recommended. 1. Background Healthcare provision in the United Kingdom is at an important junction; the White Paper Healthy Lives Healthy People (2010) emphasises the need to ensure that resources are used effectively, while at the same time embracing the culture of service user feedback. It is of note that the White Paper does not comment on developmental disorders and we are keen to reduce the separation between the evolving evidence base regarding developmental disorders and key national policies. We suggest that adolescent mental health clinicians are ideally placed to elucidate the relationship between mental health and substance use; NICE [1] notes that there is a “lack of evidence on how to prevent substance misuse among particular groups of vulnerable and disadvantaged children and young people,” including “those with mental health problems.” This study sought to address this deficit. Finally, the Government document “Drugs: protecting families and communities” emphasises the need for “producing guidance for commissioners, service providers and CAMHS to ensure that improved needs assessment and treatment planning processes are in place in all areas.” Furthermore, as envisaged in the National Service Framework for Children, young people and maternity services (2007), commissioners in Manchester are keen to understand the unmet needs of vulnerable, high-risk adolescents, as exemplified by the young people using the voluntary drug and alcohol support service in
Insights into molecular conduction from I-V asymmetry
Avik W. Ghosh,Ferdows Zahid,Prashant S. Damle,Supriyo Datta
Physics , 2002,
Abstract: We investigate the origin of asymmetry in the measured current-voltage (I-V) characteristics of molecules with no inherent spatial asymmetry. We establish that such molecules can exhibit asymmetric I-V characteristics due to unequal coupling with the contacts. In contrast with spatially asymmetric molecules, conduction takes place through essentially the same level in both bias directions. The asymmetry arises from a subtle difference in the charging effects, which can only be captured in a self-consistent model for molecular conduction. For HOMO-based conduction, the current is smaller for positive voltage on the stronger contact, while for LUMO conduction, the sense of asymmetry is switched.
Object Oriented Testing Techniques: Survey and Challenges
Prashant
International Journal of Computer Technology and Applications , 2012,
Abstract: Object-oriented programs involve many unique features that are not present in their conventional counterparts. Examples are message passing, synchronization, dynamic binding, object instantiation, persistence, encapsulation, inheritance, and polymorphism. Testing for such program is, therefore, more difficult than that for conventional programs. Object-orientation has rapidly become accepted as the preferred paradigm for large-scale system design. In this paper we have discussed about how testing is being carried out in the Object Oriented environment. To accommodate this, several new techniques have been proposed like fault-based techniques, Scenario based, Surface structure testing, and Deep structural testing
Historical Background as an Essential Ingredient for the Understanding of New Developments in Quantum Mechanics
Prashant
Physics , 2005,
Abstract: Paper is taken out with immediate effect.
Evolving Quantum Circuits using Genetic Algorithms
Prashant
Physics , 2005,
Abstract: The article is taken out.
A Dual Observer Information Exchange Theory of Measurement of Quantum Mechanics
Prashant
Physics , 2005,
Abstract: The article is taken out.
A Study on the basics of Quantum Computing
Prashant
Physics , 2005,
Abstract: The article is taken out.
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