Study of different Carbon Bond 6 (CB6) mechanisms by using a concentration sensitivity analysis

2021 ◽  
Vol 21 (16) ◽  
pp. 12687-12714
Author(s):  
Le Cao ◽  
Simeng Li ◽  
Luhang Sun

Abstract. Since the year 2010, different versions of the Carbon Bond 6 (CB6) mechanism have been developed to accurately estimate the contribution to air pollution by the chemistry. In order to better understand the differences in simulation results brought about by the modifications between different versions of the CB6 mechanism, in the present study, we investigated the behavior of three different CB6 mechanisms (CB6r1, CB6r2 and CB6r3) in simulating ozone (O3), nitrogen oxides (NOx) and formaldehyde (HCHO) under two different emission conditions by applying a concentration sensitivity analysis in a box model. The results show that when the surface emission is weak, the O3 level predicted by CB6r1 is approximately 7 ppb higher than that predicted by CB6r2 and CB6r3, specifically due to the change in the sink of acyl peroxy radicals with high-order carbons (i.e., species CXO3) in the mechanism and the difference in the ozone dependence on the isoprene emission. In contrast, although CB6r1 estimates higher values of NOx and HCHO than the other two mechanisms at an early stage of the simulation, the levels of NOx and HCHO estimated by these three CB6 mechanisms at the end of the 7 d simulation are mostly similar, when the surface emission is weak. After the increase in the surface emission, the simulated profiles of O3, NOx and HCHO obtained by CB6r2 and CB6r3 were found to be nearly the same during the simulation period, but CB6r1 tends to estimate substantially higher values than CB6r2 and CB6r3. The deviation between the O3 levels provided by CB6r1 and the other two CB6 mechanisms (i.e., CB6r2 and CB6r3) was found to be enlarged compared with the weak-emission scenario because of the weaker dependence of ozone on the emission of isoprene in CB6r1 than those in CB6r2 and CB6r3 in this scenario. Moreover, HCHO predicted by CB6r1 was found to be larger than those predicted by CB6r2 and CB6r3, which is caused by an enhanced dependence of HCHO on the emission of isoprene in CB6r1. Regarding NOx, it was found that CB6r1 gives a higher value than the other two mechanisms, which is caused by the relatively stronger connection between the NOx prediction and the release of NO and NO2 in CB6r1 due to the change in the product of the reaction between isoprene and NO3 in CB6r1. Consequently, more emitted NOx is involved in the reaction system denoted by CB6r1, which enables a following NOx formation and thus a higher NOx prediction of CB6r1.

2021 ◽  
Author(s):  
Le Cao ◽  
Simeng Li ◽  
Luhang Sun

Abstract. Since the year 2010, different versions of the Carbon Bond 6 (CB6) mechanism have been developed, to accurately estimate the contribution to the air pollution by the chemistry. However, the discrepancies in simulation results brought about by the modifications between different versions of the CB6 mechanism are still not fully understood. Therefore, in the present study, we investigated the behavior of three different CB6 mechanisms (CB6r1, CB6r2 and CB6r3) in simulating ozone (O3), nitrogen oxides (NOx) and formaldehyde (HCHO) under an urban condition, by applying a concentration sensitivity analysis in a box model. The results show that when the surface emission is excluded, the O3 level predicted by CB6r1 is approximately 6 % and 8 % higher than that predicted by CB6r2 and CB6r3, specifically due to the change in the sink of CXO3 in the mechanism. In contrast, the levels of NOx and HCHO estimated by these three CB6 mechanisms are mostly similar, when the surface emission is turned off. After adding the surface emission, the simulated profiles of O3, NOx and HCHO obtained by CB6r2 and CB6r3 are similar. However, the deviation between the O3 levels provided by CB6r1 and the other two CB6 mechanisms (i.e. CB6r2 and CB6r3) is enlarged, because of the weakening of the ozone dependence on the emission of isoprene in CB6r1. Moreover, HCHO predicted by CB6r1 is found larger than that predicted by CB6r2 and CB6r3, which is caused by an enhanced dependence of HCHO on the emission of isoprene in CB6r1. Regarding to NOx, it was found that CB6r1 gives a higher value during the daytime and a lower value during the nighttime than the other two mechanisms, which is caused by the relatively stronger connection between the NOx prediction and the local chemistry in CB6r1, so that more NOx is consumed and converted to PANX (peroxyacyl nitrate with three and higher carbons) in the nighttime and more NOx is reformed by the photolysis of PANX in the daytime.


Molecules ◽  
2019 ◽  
Vol 24 (13) ◽  
pp. 2463 ◽  
Author(s):  
Le Cao ◽  
Simeng Li ◽  
Ziwei Yi ◽  
Mengmeng Gao

Carbon Bond Mechanism IV (CBM-IV) is a widely used reaction mechanism in which VOCs are grouped according to the molecular structure. In the present study, we applied a sensitivity analysis on the CBM-IV mechanism to clarify the importance of each reaction under two different initial conditions (urban and low-NO scenarios). The reactions that exert minor influence on the reaction system are then screened out from the mechanism, so that a reduced version of the CBM-IV mechanism under specific initial conditions can be obtained. We found that in a typical urban condition, 11 reactions can be removed from the original CBM-IV mechanism, and the deviation is less than 5% between the results using the original CBM-IV mechanism and the reduced mechanism. Moreover, in a low-NO initial condition, two more reactions, both of which are nitrogen-associated reactions, can be screened out from the reaction mechanism, while the accuracy of the simulation is still maintained. It is estimated that the reduction of the CBM-IV mechanism can save 11–14% of the computing time in the calculation of the chemistry in a box model simulation.


2008 ◽  
Vol 53 (No. 7) ◽  
pp. 347-357 ◽  
Author(s):  
Z. Sladek ◽  
D. Rysanek

The aim of this study was to determine whether expression of CD14 on macrophages is regulated differently during initiation and resolution of the inflammatory response caused by CD14-dependent (lipopolysaccharide) and CD14-independent (muramyldipeptide) bacterial signals. In cell suspensions from the site of inflammation we observed two types of macrophages: non-vacuolized (<sub>N</sub>MAC) and vacuolized (<sub>V</sub>MAC) cells. <sub>N</sub>MAC (monocyte-like cells) were dominant during the early stage of the inflammatory response, whilst <sub>V</sub>MAC contained phagocytosed apoptotic neutrophils in various stages of digestion. These latter cells were dominant during resolution (particularly at the last time point of 168 h). Intramammary instillation of muramyldipeptide (MDP) and lipopolysaccharide (LPS) resulted in a significant increase in the total count of CD14+ <sub>N</sub>MAC after 24 h (muramyldipeptide <I>P</I> < 0.01 and lipopolysaccharide <I>P</I> < 0.05) compared to phosphate buffered saline (PBS). During resolution of the inflammatory response, a gradual decrease in the total count of CD14+ <sub>N</sub>MAC was observed. The difference compared with PBS was significant at 48 h and 72 h after instillation of both bacterial agents (muramyldipeptide: <I>P</I> < 0.05; lipopolysaccharide: <I>P</I> < 0.05). A lower total count of CD14+ <sub>V</sub>MAC was observed as an effect of MDP and LPS at 24 h after induction (<I>P</I> < 0.05), when compared to PBS. During resolution, the total count of CD14+ <sub>V</sub>MAC increased. Differences (<I>P</I> < 0.01) were observed at 72 h and 168 h after LPS compared to PBS. We therefore assume that the expression of CD14 on macrophages is not regulated differently during the inflammatory responses caused by CD14-dependent and CD14-independent bacterial signals. On the other hand, the stage of the inflammatory response to MDP and LPS played an important role in the regulation of CD14 expression on macrophages.


2019 ◽  
Vol 5 (1) ◽  
pp. 20 ◽  
Author(s):  
Jakub Godlewski ◽  
Jacek Lenart ◽  
Elzbieta Salinska

The mammalian brain is made up of billions of neurons and supporting cells (glial cells), intricately connected. Molecular perturbations often lead to neurodegeneration by progressive loss of structure and malfunction of neurons, including their death. On the other side, a combination of genetic and cellular factors in glial cells, and less frequently in neurons, drive oncogenic transformation. In both situations, microenvironmental niches influence the progression of diseases and therapeutic responses. Dynamic changes that occur in cellular transcriptomes during the progression of developmental lineages and pathogenesis are controlled through a variety of regulatory networks. These include epigenetic modifications, signaling pathways, and transcriptional and post-transcriptional mechanisms. One prominent component of the latter is small non-coding RNAs, including microRNAs, that control the vast majority of these networks including genes regulating neural stemness, differentiation, apoptosis, projection fates, migration and many others. These cellular processes are also profoundly dependent on the microenvironment, stemness niche, hypoxic microenvironment, and interactions with associated cells including endothelial and immune cells. Significantly, the brain of all other mammalian organs expresses the highest number of microRNAs, with an additional gain in expression in the early stage of neurodegeneration and loss in expression in oncogenesis. However, a mechanistic explanation of the concept of an apparent inverse correlation between the odds of cancer and neurodegenerative diseases is only weakly developed. In this review, we thus will discuss widespread de-regulation of microRNAome observed in these two major groups of brain pathologies. The deciphering of these intricacies is of importance, as therapeutic restoration of pre-pathological microRNA landscape in neurodegeneration must not lead to oncogenesis and vice versa. We thus focus on microRNAs engaged in cellular processes that are inversely regulated in these diseases. We also aim to define the difference in microRNA networks between pro-survival and pro-apoptotic signaling in the brain.


2021 ◽  
Vol 11 (19) ◽  
pp. 9215
Author(s):  
Katerina Kabassi ◽  
Aristotelis Martinis

The quality of content and the attractiveness of an environmental website can create an environmentally friendly attitude before one visits a secured area. However, a website should be evaluated to ensure that its goal is met. For this reason, the websites of environmental content have been evaluated using a combination of AHP and PROMETHEE II. More specifically, the websites of environmental content that have been selected to be evaluated are the websites of the national parks of Italy. The main contribution of the particular paper is on comparing PROMETHEE II with three other common MCDM models (SAW, WPM, TOPSIS) and performing a sensitivity analysis to make the comparison more thorough. As a result, the conclusions drawn by this experiment involve the appropriateness of PROMETHEE II for the ranking of environmental websites as well as the robustness of the different MCDM models. The experiment revealed that the PROMETHEE II model was found to be very effective in ranking environmental websites and is the most robust model compared to the other ones. Furthermore, the evaluation of the websites of national parks in Italy revealed that the electronic presence of national parks is at an early stage.


Author(s):  
Carmen García-Alba

This study is part of a larger research study (doctoral dissertation), in which a comparative study with adolescent samples is done: 50 anorexic restricting patients (ANP), 50 patients diagnosed with depression (DP) and 50 non patients (NP). The proposed objective is two-fold: 1) To try to clarify the existing relationship between Anorexia (AN) and Depression (D), investigated from diverse disciplines but without conclusive results. 2) To detect in the ANP personality different traits from those of other groups, which should, if possible, allow to detect them at an early stage for an adequate prognosis. The current article presents the Rorschach findings in relation to the cognitive functioning of the ANP. In them, the following has been detected: (1) An information processing similar to that of the other groups, even with a more complete (L ≤ .99), more complex (DQ+↑) and better discriminated (Zd↑) grasp of the stimulus; (2) Mediating processes very similar to those of the other groups, sharing with them the perceptive maladjustments (X–%↑) and an excessive individualism (Xu%↑); (3) A clearly differentiating ideation disorder. Definitely, the ANP use predominantly ideation (M↑), but their thought, usually well-adjusted (MQo↑), presents eventual operations of delusional type (MQnone↑). Above that, their thinking is marked by a great passivity (Mp↑), which makes them more vulnerable to accept ideas without criticizing them and it results in a very inefficient thinking, which spins around these concepts without finding solutions, entering into a sort of ruminating which is completely unproductive. The differences toward the obsessive pathology are established. The discriminant analysis conducted with all the Rorschach variables that resulted as significant throughout the research, provides quite a consistent function which discriminates the ANP: MQnone↑, Mp↑, FD↓, Ma↑, MQo↑, AdjD↑, Sum H↑, (H)↑. Based on this we can understand that these adolescents, being in a developmental period of big changes and disorientations in relation with their own image, confronted with life events, and possibly starting off with some biologic vulnerability: (1) Due to the alterations of their ideation, accept without criticism (Mp) irrational ideas dominating in our culture, in which slimness appears as the only model, synthesis of intelligence, beauty and success; remaining captured in this type of mental activity (MQnone), which they cannot escape nor criticize (Mp), despite they reason adequately on other topics (MQo); (2) Their alterations of self-perception [(H)] make them hide themselves in a fantasized image, which is the axis of their interests and the only thing that really matters to them; (3) The resources they have to decide on behaviors and to finish these deliberately (AdjD), and their scarce tendency to the introspection (FD) lead to their decision of not eating, based on distorted and passively accepted thinking, which has great power and thus, so difficult to modify. Finally, based on the Rorschach data obtained, the hypothesis of a personality disorder as underlying pathology is pointed out.


1973 ◽  
Vol 29 (02) ◽  
pp. 490-498 ◽  
Author(s):  
Hiroh Yamazaki ◽  
Itsuro Kobayashi ◽  
Tadahiro Sano ◽  
Takio Shimamoto

SummaryThe authors previously reported a transient decrease in adhesive platelet count and an enhancement of blood coagulability after administration of a small amount of adrenaline (0.1-1 µg per Kg, i. v.) in man and rabbit. In such circumstances, the sensitivity of platelets to aggregation induced by ADP was studied by an optical density method. Five minutes after i. v. injection of 1 µg per Kg of adrenaline in 10 rabbits, intensity of platelet aggregation increased to 115.1 ± 4.9% (mean ± S. E.) by 10∼5 molar, 121.8 ± 7.8% by 3 × 10-6 molar and 129.4 ± 12.8% of the value before the injection by 10”6 molar ADP. The difference was statistically significant (P<0.01-0.05). The above change was not observed in each group of rabbits injected with saline, 1 µg per Kg of 1-noradrenaline or 0.1 and 10 µg per Kg of adrenaline. Also, it was prevented by oral administration of 10 mg per Kg of phenoxybenzamine or propranolol or aspirin or pyridinolcarbamate 3 hours before the challenge. On the other hand, the enhancement of ADP-induced platelet aggregation was not observed in vitro, when 10-5 or 3 × 10-6 molar and 129.4 ± 12.8% of the value before 10∼6 molar ADP was added to citrated platelet rich plasma (CPRP) of rabbit after incubation at 37°C for 30 second with 0.01, 0.1, 1, 10 or 100 µg per ml of adrenaline or noradrenaline. These results suggest an important interaction between endothelial surface and platelets in connection with the enhancement of ADP-induced platelet aggregation by adrenaline in vivo.


Author(s):  
Menghan TAO ◽  
Ning XIAO ◽  
Xingfu ZHAO ◽  
Wenbin LIU

New energy vehicles(NEV) as a new thing for sustainable development, in China, on the one hand has faced the rapid expansion of the market; the other hand, for the new NEV users, the current NEVs cannot keep up with the degree of innovation. This paper demonstrates the reasons for the existence of this systematic challenge, and puts forward the method of UX research which is different from the traditional petrol vehicles research in the early stage of development, which studies from the user's essence level, to form the innovative product programs which meet the needs of users and being real attractive.


Author(s):  
Philip Isett

This chapter presents the equations and calculations for energy approximation. It establishes the estimates (261) and (262) of the Main Lemma (10.1) for continuous solutions; these estimates state that we are able to accurately prescribe the energy that the correction adds to the solution, as well as bound the difference between the time derivatives of these two quantities. The chapter also introduces the proposition for prescribing energy, followed by the relevant computations. Each integral contributing to the other term can be estimated. Another proposition for estimating control over the rate of energy variation is given. Finally, the coarse scale material derivative is considered.


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