Narrow Results

A theoretical investigation about the cooperative effect on (HCN)_n homo and (HCN)_n ⋯ HF heterochains was performed in terms of structural parameters and topological properties obtained in concordance with the protocol of Bader's atoms in molecules theory. Initially, the hydrogen bonding distances, electronic densities, and Laplacian descriptors were used to characterize small (HCN)_n and (HCN)_n ⋯ HF chains formed by n = 2–4 units of HCN. Hydrogen bond distances and distribution of charge density have revealed that the cooperative effect on (HCN)_n ⋯ HF heterochains is ruled by the polarity of the extreme hydrofluoric acid species. Furthermore, we investigated larger homo and heterochain systems formed by n = 2–8 molecules of HCN. In this insight, the drastic polarized effect caused by HF molecule which was considered very substantial at prior, in fact is seriously limited by an excessive number of HCN molecules connected to the heterochain. This leads to a stabilization of the (N ⋯ HF) hydrogen bonds with invariable electronic density in the range of . In this stage and henceforth, the cooperative effect is re-established with n = 4 molecules of HCN. Thereby, the electronic density of the hydrogen bonds become unaltered within the (HCN)_n ⋯ HF heterochains.

Ab initio and density functional calculations are used to analyze the interaction between a molecule of fulminic acid with one, two, three, and four molecules of ammonia along with a 2:2 complex at B3LYP/6-311++G(d, p) and MP2/6-311++G(d, p) computational levels. Cooperative effect (CE) in terms of stabilization energy of clusters is calculated and discussed as well. For the studied clusters, the CE is increased with increasing cluster size. Red shifts of H–C stretching frequency for complexes involving HCNO as H-donor are predicted. Atom in molecules is used to analyze the cooperative effect on topological parameters.

Ab initio and density functional calculations are used to analyze the interaction between a molecule of isofulminic acid with 1–4 molecules of water at B3LYP/6-311++G(d,p) and MP2/6-311++G(d,p) computational levels. Cooperative effect (CE) is increased with increasing size of studied clusters. Red shifts of H–O stretching frequency for complexes involving HONC as H-donor are predicted. Atom in molecules is used to analyse CE on topological parameters. Effect of molecular structure on hydrogen bond (HB) formation could be deduced from comparison of HONC–H₂O and HCNO–H₂O clusters, former system have more stable HB clusters.

The binary adsorption behavior of 1-naphthol/1-naphthylamine mixtures in water on nonpolar adsorbent Amberlite XAD4 was investigated at 293 K, 303 K and 313 K, respectively. The experimental uptakes of 1-naphthol and 1-naphthylamine in all binary-component systems of different molar ratios were obviously higher than the corresponding uptakes predicted by the extended Langmuir model, assuming no interaction between the adsorbed molecules of the two components. This phenomenon was attributed to the cooperative adsorption effect arising from the hydrogen bonding interaction between 1-naphthol and 1-naphthylamine molecules. A modified extended Langmuir model was proposed to describe the binary adsorption behavior by means of introducing a fitting parameter related with the cooperative adsorption effect of the adsorbates.

The nanoparticle (NP) is one of the most used nanostructures in biomedicine. The Np–biomembrane interface plays an important role in delivering NPs into a living biological cell. While most researchers focus on the interaction between a single Np and a cell membrane, we pay attention to the NP–biomembrane interaction when a cluster of NPs are put into a biological cell together, and analyze the cooperative effect of these NPs. We find that the NPs would not enter the cell individually, but have a trend to form an aggregation to reduce the repel force from the cell membrane. The dissipative particle dynamics simulation shows that the NP aggregation may have three interactive states with the membrane: adhere on the surface of the cell, uptaken by the membrane and enter the cell. We propose to use catalytic (CA) particles which are not sensitive to the membrane to reduce the driving force required in NP delivery. Energy analysis demonstrates that the introduced (CA) particles can decrease the free energy gap between the inside and the outside of the membrane, and increase the success rate of NPs entering the cell.

Skill-based competitive strategic alliances are becoming an increasingly important form in the competition of international business. When they are formed, valuable learning opportunities may be created for the alliance partners. The primary objective in this paper is to explore the relationship among cooperative effects, knowledge acquisition and learning capacity within skill-based strategic alliances. We think knowledge acquisition is central task of the alliance partners, important condition of cooperative effect increasing, and is depended decidedly on learning capacity within Skill-based strategic alliances.

Using FeiXi HuaMuCheng exhibition centre as a case study, this paper compares the implications of using two different types of models for structural analyses. One model only includes the upper part of the structure, while the other includes the supporting structures as well. Utilizing both the mode decomposition response spectrum method and a dynamic time history analysis to perform structural analysis, the structure's natural vibration frequency, displacement and support reaction are obtained. The results show that using the model which only includes the structure's upper part will reduce the safety of the structure's seismic design. As such, it is recommended that both the upper structure and its supporting structures are considered together when designing the steel roof's structure.