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[PDF] Top 20 Which is the reaction site? A computational experiment.

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Which is the reaction site? A computational experiment.

Which is the reaction site? A computational experiment.

... Chatarraj, por exemplo, propôs que maior índice de Fukui local indica o átomo mais reativo para reações com reagentes moles e que para reações duro-duro, como reações ácido-base, deve-se[r] ... See full document

3

Braz. J. Phys.  vol.35 número3B

Braz. J. Phys. vol.35 número3B

... Present experiment has demonstrated that for samples where Pd is one of the components, the process of 111 In im- plantation using the present nuclear reaction in thick target ... See full document

4

A computational framework for the automated construction of glycosylation reaction networks.

A computational framework for the automated construction of glycosylation reaction networks.

... Glycosylation is among the most common and complex post-translational modifications identified to ...through the catalytic action of multiple enzyme families that include the ... See full document

10

Mechanistic pathways of mercury removal from the organomercurial lyase active site

Mechanistic pathways of mercury removal from the organomercurial lyase active site

... compounds. The most common resistance mechanism relies on the H + -assisted cleavage of the Hg–C bond of methylmercury by the organomercurial lyase ...Although the initial ... See full document

18

A green supply chain network design model for enhancing competitiveness and sustainability of companies in high north arctic regions

A green supply chain network design model for enhancing competitiveness and sustainability of companies in high north arctic regions

... researches, the formulation and minimization of supply chain risks and reliability are taken into consideration in this study, which is an extremely important influencing factor accounted in ... See full document

16

Estimation of the Hydrodynamics Coefficients of an ROV using Free Decay Pendulum Motion

Estimation of the Hydrodynamics Coefficients of an ROV using Free Decay Pendulum Motion

... n the recent past, Unmanned Underwater Vehicles (UUVs) have been used to explore the secrets of the oceans and to mine deep sea ...Between the two, the ROV is the main ... See full document

6

A computational grammar for Portuguese

A computational grammar for Portuguese

... tree is almost the same as the one gloss 25; in English their structure is almost the same, but the correct Portuguese translations have different structure (one introduces a ... See full document

112

N<sub>2</sub>O fluxes from the littoral zone of a Chinese reservoir

N<sub>2</sub>O fluxes from the littoral zone of a Chinese reservoir

... Acknowledgements. This study was financially supported by State Forestry Administration of China under grant 200804005 and China Scholarship Council. We thank Yi Zhu, Lei Guan, Yamian Zhang, Nana Li, Jialin Lei, Rui Li, ... See full document

13

Zoonotic leishmaniasis, which is caused by Leish-

Zoonotic leishmaniasis, which is caused by Leish-

... obtained. The high prevalence of ...reflects the fact that all animals were clinically suspected of having Leishmania ...than the 5.02% obtained in 2009 in 206 randomly screened ani- mals from ... See full document

7

Comprehensive analysis of gene-environmental interactions with temporal gene expression profiles in Pseudomonas aeruginosa.

Comprehensive analysis of gene-environmental interactions with temporal gene expression profiles in Pseudomonas aeruginosa.

... understand the mechanism of gene expression and gene activation order, we estimated the gene turning-on and turning-off time points via the least square method, ...i.e., the half positions of ... See full document

12

Braz. J. Pharm. Sci.  vol.46 número3

Braz. J. Pharm. Sci. vol.46 número3

... of the test done with MF-membrane under the same conditions. The hindrance to the outlet lux caused by the MF-membrane was probably lower than that caused by the ...from ... See full document

7

NEWS VALUES IN NEWS WEBSITES: An empirical study of the criteria

NEWS VALUES IN NEWS WEBSITES: An empirical study of the criteria

... but the reports had a different focus from those of ...Clarín. The Clarín.com report detailed the topics to be discussed by the President in London, among them the death of Jean Charles ... See full document

19

To Reduce the Pollution from the Earth which is exhausted By Vehicles?

To Reduce the Pollution from the Earth which is exhausted By Vehicles?

... monoxide is responsible for a 13% reduction in hydroxyl concentration and through other reaction a 9% drop in sulphate ...monoxide is only a weak greenhouse gas; its influence on climate goes beyond ... See full document

6

Molecular evolution of peptide ligands with custom-tailored characteristics for targeting of glycostructures.

Molecular evolution of peptide ligands with custom-tailored characteristics for targeting of glycostructures.

... affinity is achievable and that both L- and D-peptides can be optimized this ...improvement is not ...inhibitor. The reasons for this discrepancy may reside in the length of the peptide ... See full document

10

24 ], which is also supported by the fact that, in the 2002 Volkel

24 ], which is also supported by the fact that, in the 2002 Volkel

... Although the PVC industry is aware of the potentially harmful effects of occupational exposure to some compounds such as 1,2 Dichloroethane (EDC) and Vinyl Chloride monomer (VCM), the ... See full document

16

Efficient identification of critical residues based only on protein structure by network analysis.

Efficient identification of critical residues based only on protein structure by network analysis.

... method: the T4L- TEM-HIVP set and the FSSP128 set. Briefly, the T4L-HIV- TEM1 set includes three enzymes that have been extensively characterized structurally and functionally (TEM1 beta-lactamase ... See full document

7

Braz. J. Phys.  vol.34 número1A

Braz. J. Phys. vol.34 número1A

... report the present status on the construction of an equation of state (EoS) for the strongly interacting mat- ter which is to be used in the hydrodynamical calculations for ... See full document

4

Background error covariance with balance constraints for aerosol species and applications in data assimilation

Background error covariance with balance constraints for aerosol species and applications in data assimilation

... of the data assimilation are obtained from the MOSAIC (4-bin) aerosol scheme in the WRF/Chem model (Zaveri et ...2008). The MOSAIC scheme includes eight aerosol species, that is, ... See full document

36

of vegetables oil in subcritical methanol conditions

of vegetables oil in subcritical methanol conditions

... acids is related to the iodine value. This parameter describes the content of unsaturated fatty acids and is only dependent on the origin of the vegetable ...consequence, ... See full document

6

Autologous or heterologous fibrin sealant scaffold: which is the better choice?

Autologous or heterologous fibrin sealant scaffold: which is the better choice?

... This is an Open Access article distributed under the terms of the Creative Commons Attribution License ...(http://creativecommons.org/licenses/by/4.0), which permits unrestricted use, ... See full document

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