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1.
Orig Life Evol Biosph ; 49(1-2): 89-103, 2019 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-31218479

RESUMO

The Structure of carbodiimide has been studied by using quantum chemical methods. Carbodiimide (HNCNH) has been detected towards Sagittarius B2 (N) in interstellar medium (ISM). Two reaction mechanisms have been proposed to study the formation of interstellar Carbodiimide. The first reaction mechanism is based on molecule-radical and the second one is a radical-radical mechanism, through previously detected interstellar molecules or radicals. Quantum chemical calculations have been performed by using density functional theory (DFT) and Moller-Plesset second order perturbation (MP2) theory, in gas phase as well as in polarizable continuum model (PCM). The proposed reaction paths are exothermic and barrierless which indicates the possibility of carbodiimide formation in ISM. Several basis sets have been used to verify the validity and accuracy of the results. The isotropic and anisotropic polarizabilities of carbodiimide have been calculated from relevant tensor components for both reaction mechanisms with the help of data obtained by DFT/B3LYP and MP2 methods using aug-cc-pVTZ basis sets in gaseous phase as well as in PCM.


Assuntos
Carbodi-Imidas/química , Gases/química , Teoria Quântica , Poeira Cósmica , Modelos Químicos , Modelos Moleculares
2.
Orig Life Evol Biosph ; 44(2): 143-57, 2014 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-25416678

RESUMO

Acrylonitrile (CH2CHCN) was first detected in dense molecular cloud SgrB2. The synthesis of this interstellar molecule is reported to be quite difficult. Therefore, in the present work an attempt has been made to explore the possibility of formation of acrylonitrile from some simple molecules and radicals detected in interstellar space by radical-radical interaction scheme, both in the gas phase and in the icy grains. All calculations are performed using quantum chemical methods with density functional theory (DFT) at the B3LYP/6-311G (d,p) level and Møller-Plesset perturbation theory at the MP2/6-311G (d,p) level. In the discussed chemical pathway, the reaction is found to be totally exothermic and barrier less giving rise to a high probability of acrylonitrile formation in Interstellar space.


Assuntos
Acrilonitrila/síntese química , Cianetos/química , Metano/análogos & derivados , Meio Ambiente Extraterreno , Gases/química , Gelo , Metano/química , Teoria Quântica , Termodinâmica
3.
J Med Primatol ; 33(2): 65-9, 2004 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-15061718

RESUMO

The Indian langur monkey (Presbytis entellus) is an experimental host for a range of human diseases and for the assessment of vaccine candidate antigens to some common parasitic infections. This experimental host is particularly suitable for the follow-up of immunological responses. To understand some of the mechanism that underlies the defense against experimental pathogens there is a need of the basic knowledge on antibody and cell mediated immune responses. In the present study 25 naïve monkeys were subjected to for assessment of their antibody responses to various human parasitic antigens as well as mitogen induced cellular responses. Only few monkeys were found to have low titer of antiparasitic antibodies. There was compressive dose dependent proliferative response of peripheral blood mononuclear cells. Unlike humans, the blastogenic as well as cytokine responses (IFN-gamma, IL-2 and IL-4) to Con A was considerably higher as compared to PHA. These findings are similar to what have been reported in other non-human primates, confirming the appropriateness of Indian langurs for pre-clinical trials.


Assuntos
Anticorpos Anti-Helmínticos/imunologia , Anticorpos Antiprotozoários/imunologia , Cercopithecidae/imunologia , Modelos Animais de Doenças , Leishmaniose Visceral/imunologia , Animais , Anticorpos Anti-Helmínticos/sangue , Anticorpos Monoclonais/imunologia , Anticorpos Antiprotozoários/sangue , Cercopithecidae/sangue , Cercopithecidae/parasitologia , Citocinas/imunologia , Ensaio de Imunoadsorção Enzimática , Imunidade Celular/imunologia , Índia , Leucócitos Mononucleares/imunologia , Masculino , Mitógenos/imunologia
4.
Indian J Exp Biol ; 40(5): 605-8, 2002 May.
Artigo em Inglês | MEDLINE | ID: mdl-12622211

RESUMO

Indian langurs, which were previously reported to be highly susceptible, were infected intradermally using variable numbers of promastigotes along with different doses, 1/2 pair, 5 pairs and 10 pairs respectively of salivary gland lysate (SGL). Although, all the monkeys developed mild infection and remained subclinically infected throughout the observation period, which later resolved, none of them could develop the classical disease. No marked antigen specific antibody or lymphoproliferative response was noticed throughout the experimental period. However, a late IFN-gamma response (by day 90 pi.) was demonstrated in monkeys infected with 2 x 10(6) promastigotes +10 pairs SGL. It seems that a single intradermal dose of promastigotes with or without SGLs had a vaccines like effect. Perhaps, multiple frequent inoculations, as happens in the natural situation, may be necessary for the development of full-blown disease.


Assuntos
Leishmania donovani/isolamento & purificação , Leishmaniose Visceral/transmissão , Pele , Animais , Cercopithecidae , Masculino
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