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| 2. |
- Glasbey, JC, et al.
(författare)
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- 2021
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swepub:Mat__t
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| 3. |
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| 5. |
- Nakatani, Yoshio, et al.
(författare)
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Role of Alanine Racemase Mutations in Mycobacterium tuberculosis D-Cycloserine Resistance
- 2017
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Ingår i: Antimicrobial Agents and Chemotherapy. - : AMER SOC MICROBIOLOGY. - 0066-4804 .- 1098-6596. ; 61:12
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Tidskriftsartikel (refereegranskat)abstract
- A screening of more than 1,500 drug-resistant strains of Mycobacterium tuberculosis revealed evolutionary patterns characteristic of positive selection for three alanine racemase (Alr) mutations. We investigated these mutations using molecular modeling, in vitro MIC testing, as well as direct measurements of enzymatic activity, which demonstrated that these mutations likely confer resistance to D-cycloserine.
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| 6. |
- Mondal, Suman Kumar, et al.
(författare)
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Is There Any Linkage between Interstellar Aldehyde and Alcohol?
- 2021
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Ingår i: Astrophysical Journal. - : American Astronomical Society. - 1538-4357 .- 0004-637X. ; 922:2
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Tidskriftsartikel (refereegranskat)abstract
- It is speculated that there might be some linkage between interstellar aldehydes and their corresponding alcohols. Here an observational study and astrochemical modeling are coupled together to illustrate the connection between them. The ALMA cycle 4 data of a hot molecular core, G10.47+0.03, are utilized for this study. Various aldehydes (acetaldehyde, propanal, and glycolaldehyde), alcohols (methanol and ethylene glycol), and a ketone (acetone) are identified in this source. The excitation temperatures and column densities of these species were derived via the rotation diagram method assuming local thermodynamic equilibrium conditions. An extensive investigation is carried out to understand the formation of these species. Six pairs of aldehyde-alcohol are considered for this study: (i) methanal and methanol, (ii) ethanal and ethanol, (iii) propanal and 1-propanol, (iv) propenal and allyl alcohol, (v) propynal and propargyl alcohol, and (vi) glycolaldehyde and ethylene glycol. One pair of ketone-alcohol (acetone and isopropanol) and ketene-alcohol (ethenone and vinyl alcohol) are also considered. Two successive hydrogenation reactions in the ice phase are examined to form these alcohols from aldehydes, ketone, and ketene, respectively. Quantum chemical methods are extensively executed to review the ice-phase formation route and the kinetics of these species. Based on the obtained kinetic data, astrochemical modeling is employed to derive the abundances of these aldehydes, alcohols, ketone, and ketene in this source. It is seen that our model could successfully explain the observed abundances of various species in this hot molecular core.
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| 8. |
- Parker, P, et al.
(författare)
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Progress in integrated assessment and modelling
- 2002
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Ingår i: Environmental Modelling & Software. - 1364-8152. ; 17:3, s. 209-217
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Tidskriftsartikel (refereegranskat)abstract
- Environmental processes have been modelled for decades. However. the need for integrated assessment and modeling (IAM) has,town as the extent and severity of environmental problems in the 21st Century worsens. The scale of IAM is not restricted to the global level as in climate change models, but includes local and regional models of environmental problems. This paper discusses various definitions of IAM and identifies five different types of integration that Lire needed for the effective solution of environmental problems. The future is then depicted in the form of two brief scenarios: one optimistic and one pessimistic. The current state of IAM is then briefly reviewed. The issues of complexity and validation in IAM are recognised as more complex than in traditional disciplinary approaches. Communication is identified as a central issue both internally among team members and externally with decision-makers. stakeholders and other scientists. Finally it is concluded that the process of integrated assessment and modelling is considered as important as the product for any particular project. By learning to work together and recognise the contribution of all team members and participants, it is believed that we will have a strong scientific and social basis to address the environmental problems of the 21st Century.
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| 9. |
- Sil, Milan, et al.
(författare)
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Chemical Complexity of Phosphorous-bearing Species in Various Regions of the Interstellar Medium
- 2021
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Ingår i: Astronomical Journal. - : American Astronomical Society. - 1538-3881 .- 0004-6256. ; 162:3
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Tidskriftsartikel (refereegranskat)abstract
- Phosphorus-related species are not known to be as omnipresent in space as hydrogen, carbon, nitrogen, oxygen, and sulfur-bearing species. Astronomers spotted very few P-bearing molecules in the interstellar medium and circumstellar envelopes. Limited discovery of the P-bearing species imposes severe constraints in modeling the P-chemistry. In this paper, we carry out extensive chemical models to follow the fate of P-bearing species in diffuse clouds, photon-dominated or photodissociation regions (PDRs), and hot cores/corinos. We notice a curious correlation between the abundances of PO and PN and atomic nitrogen. Since N atoms are more abundant in diffuse clouds and PDRs than in the hot core/corino region, PO/PN reflects <1 in diffuse clouds, MUCH LESS-THAN1 in PDRs, and >1 in the late warm-up evolutionary stage of the hot core/corino regions. During the end of the post-warm-up stage, we obtain PO/PN > 1 for hot core and <1 for its low-mass analog. We employ a radiative transfer model to investigate the transitions of some of the P-bearing species in diffuse cloud and hot core regions and estimate the line profiles. Our study estimates the required integration time to observe these transitions with ground-based and space-based telescopes. We also carry out quantum chemical computation of the infrared features of PH3, along with various impurities. We notice that SO2 overlaps with the PH3 bending-scissoring modes around similar to 1000-1100 cm(-1). We also find that the presence of CO2 can strongly influence the intensity of the stretching modes around similar to 2400 cm(-1) of PH3.
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