A general method in considering the core electromc correlation energies has been proposed and introduced into the standard Gaussian-2 (G2)[7] theory hy small post-Hartree-Fock calculations. In this papcr an additional...A general method in considering the core electromc correlation energies has been proposed and introduced into the standard Gaussian-2 (G2)[7] theory hy small post-Hartree-Fock calculations. In this papcr an additional MP2(FC)/6-31G(d) calculation over the G2 procedures is employed and examined in modihcation in modification to the flaw of Frozen-Core (FC) approximation of G2 vai eq:E(full)= E[MP2(full)/6-31G(d)]-E[MP2(FC)/6-31G(d)]where the MP2(full)/6-31G(d) cnergy has been obtaincd in the molefular gcometry optimizations. This energy, E(full), is directly added into the total G2 energy of a molecule in facilitating the effect of core electronic correlations for each molecule in chemical reactions. It has been shown that the over-all avcrage absolute deviation for the 125 reaction energies of the G2 test set (test set 1) is slightly reduced from 5.09 to 5.01 kJ, mol(-1) while for the 55 D0 values, which have been used for the derivation of the A coefficient of the empirical High-Level-Correction (HLC), it is also reduced from 4.99 [for both G2 and G2(COMPLETE)[8]]to 4.77 kJ, mol(-1). In addition, Iargcr crrors (greater than ±8.4 kJ. mol(-1) for the D0 energies are improved, especially for the largest error of the D0of SO2 This error is reduced from 21.3 to 15.4 kJ. mol(-1), in which the experimental geometry would further reduce it by 7.1kJ.mol(-1)[8].Another improvement is the absolute value of the A coefficient in HLC being reduced from 4.81 for G2 to 4.34 milli-hartrees which is believed to be useful in isolating the relationship between the HLC and the FC approximation.Modifications to the original G2 from this work is denoted as G2(fu 1) and thus the G2 (fu 1) total energy for a molecule isE[G2(fu 1)]= E[G2]+ E(full)with a new E[HLC] =0.19α- 4.34nβ milli-hartree.展开更多
英雄联盟世界赛在欧洲举行,瑞士轮阶段,很多观众都听到了现场的“Let’s go G2”。现场观众支持的欧洲队伍被称为主场,G2和FNC在LEC的转播中心这片熟悉的场地比赛被称为主场,LNG九号电动的苏州阳澄国际电竞中心也被称为主场。这些主场...英雄联盟世界赛在欧洲举行,瑞士轮阶段,很多观众都听到了现场的“Let’s go G2”。现场观众支持的欧洲队伍被称为主场,G2和FNC在LEC的转播中心这片熟悉的场地比赛被称为主场,LNG九号电动的苏州阳澄国际电竞中心也被称为主场。这些主场好像不是一回事。展开更多
Gastrointestinal(GI)parasites are a global concern and cause serious damage to the health of animals,including horses,because of their deleterious effects on the health of these animals.Owing to improperly diagnosing ...Gastrointestinal(GI)parasites are a global concern and cause serious damage to the health of animals,including horses,because of their deleterious effects on the health of these animals.Owing to improperly diagnosing the parasitic load and the resulting incorrect treatment,anthelmintics are becoming a global problem.Although rapid diagnostic techniques such as McMaster and FECPAK^(G2) are available in Africa,concentration techniques,including flotation and sedimentation,are commonly used in screening for gastrointestinal parasites.In this study,we compared the sensitivity of diagnostic techniques,namely,McMaster and FECPAK^(G2),in quantifying and determining the prevalence of gastrointestinal parasites as an alternative to the commonly used flotation and sedimentation techniques for equine fecal samples in Jos,Plateau State,Nigeria.Three hundred fecal samples were collected from different locations.The instructions provided by the manufacturers of FECPAK^(G2) and McMasters were used as the methodology for egg count per gram of fecal matter,while parasite egg/ova identification was performed through sedimentation and flotation techniques.In general,a prevalence of 66.3%was recorded,with a higher prevalence on Babale ranch(84%)than on Jos Polo Club(62%)and Jos mounted troop(53%).A total of nine gastrointestinal parasites were identified via both sedimentation and flotation techniques:Strongylus spp.(19.3%)was the most prevalent parasite identified via the flotation method,whereas Gastrodiscus aegyptiacus(25.3%)was the most prevalent parasite identified via the sedimentation technique.In general,FECPAK^(G2) had a sensitivity of 86%,whereas McMaster had a sensitivity of 64%in terms of egg counts per gram of fecal sample.This finding suggests that equines in Jos are highly infected with a variety of gastrointestinal parasites to varying degrees,with Strongylus spp.and Gastrodiscus aegyptiacus being more prevalent.Although the parasite load was found to range from low to moderate levels,the majority of the equine samples contained<200 eggs per gram,suggesting a low infection rate via both the McMaster technique and the FECPAK^(G2) technique.On the basis of these findings,FECPAK^(G2) is recommended for rapid diagnosis because of its prompt outcome and infestation rate as well as ease of routine examination.Additionally,routine examination should be carried out to determine infestation by gastrointestinal parasites in all equine holdings and the effectiveness of the therapeutic agents used.展开更多
文摘A general method in considering the core electromc correlation energies has been proposed and introduced into the standard Gaussian-2 (G2)[7] theory hy small post-Hartree-Fock calculations. In this papcr an additional MP2(FC)/6-31G(d) calculation over the G2 procedures is employed and examined in modihcation in modification to the flaw of Frozen-Core (FC) approximation of G2 vai eq:E(full)= E[MP2(full)/6-31G(d)]-E[MP2(FC)/6-31G(d)]where the MP2(full)/6-31G(d) cnergy has been obtaincd in the molefular gcometry optimizations. This energy, E(full), is directly added into the total G2 energy of a molecule in facilitating the effect of core electronic correlations for each molecule in chemical reactions. It has been shown that the over-all avcrage absolute deviation for the 125 reaction energies of the G2 test set (test set 1) is slightly reduced from 5.09 to 5.01 kJ, mol(-1) while for the 55 D0 values, which have been used for the derivation of the A coefficient of the empirical High-Level-Correction (HLC), it is also reduced from 4.99 [for both G2 and G2(COMPLETE)[8]]to 4.77 kJ, mol(-1). In addition, Iargcr crrors (greater than ±8.4 kJ. mol(-1) for the D0 energies are improved, especially for the largest error of the D0of SO2 This error is reduced from 21.3 to 15.4 kJ. mol(-1), in which the experimental geometry would further reduce it by 7.1kJ.mol(-1)[8].Another improvement is the absolute value of the A coefficient in HLC being reduced from 4.81 for G2 to 4.34 milli-hartrees which is believed to be useful in isolating the relationship between the HLC and the FC approximation.Modifications to the original G2 from this work is denoted as G2(fu 1) and thus the G2 (fu 1) total energy for a molecule isE[G2(fu 1)]= E[G2]+ E(full)with a new E[HLC] =0.19α- 4.34nβ milli-hartree.
文摘Gastrointestinal(GI)parasites are a global concern and cause serious damage to the health of animals,including horses,because of their deleterious effects on the health of these animals.Owing to improperly diagnosing the parasitic load and the resulting incorrect treatment,anthelmintics are becoming a global problem.Although rapid diagnostic techniques such as McMaster and FECPAK^(G2) are available in Africa,concentration techniques,including flotation and sedimentation,are commonly used in screening for gastrointestinal parasites.In this study,we compared the sensitivity of diagnostic techniques,namely,McMaster and FECPAK^(G2),in quantifying and determining the prevalence of gastrointestinal parasites as an alternative to the commonly used flotation and sedimentation techniques for equine fecal samples in Jos,Plateau State,Nigeria.Three hundred fecal samples were collected from different locations.The instructions provided by the manufacturers of FECPAK^(G2) and McMasters were used as the methodology for egg count per gram of fecal matter,while parasite egg/ova identification was performed through sedimentation and flotation techniques.In general,a prevalence of 66.3%was recorded,with a higher prevalence on Babale ranch(84%)than on Jos Polo Club(62%)and Jos mounted troop(53%).A total of nine gastrointestinal parasites were identified via both sedimentation and flotation techniques:Strongylus spp.(19.3%)was the most prevalent parasite identified via the flotation method,whereas Gastrodiscus aegyptiacus(25.3%)was the most prevalent parasite identified via the sedimentation technique.In general,FECPAK^(G2) had a sensitivity of 86%,whereas McMaster had a sensitivity of 64%in terms of egg counts per gram of fecal sample.This finding suggests that equines in Jos are highly infected with a variety of gastrointestinal parasites to varying degrees,with Strongylus spp.and Gastrodiscus aegyptiacus being more prevalent.Although the parasite load was found to range from low to moderate levels,the majority of the equine samples contained<200 eggs per gram,suggesting a low infection rate via both the McMaster technique and the FECPAK^(G2) technique.On the basis of these findings,FECPAK^(G2) is recommended for rapid diagnosis because of its prompt outcome and infestation rate as well as ease of routine examination.Additionally,routine examination should be carried out to determine infestation by gastrointestinal parasites in all equine holdings and the effectiveness of the therapeutic agents used.
