The American Society for Testing and Materials (ASTM) is an independent organization devoted to the development of standards.

American Society for Testing and Materials

In this Chapter, we imagine a decision maker (or a group of experts) trying to establish or examine fair procedures to combine opinions about alternatives related to different points of view.

Multiple criteria decision making

Alan Ford,† Hugues Miel, Aoife Ring,† Catherine N. Slattery,† Anita R. Maguire,*,†,‡ and M. Anthony McKervey* †Department of Chemistry and ‡School of Pharmacy, Analytical and Biological Chemistry Research Facility, Synthesis and Solid State Pharmaceutical Centre, University College Cork, Cork, Ireland Almac Discovery Ltd., David Keir Building, Stranmillis Road, Belfast BT9 5AG, United Kingdom Almac Sciences Ltd., Almac House, 20 Seagoe Industrial Estate, Craigavon BT63 5QD, United Kingdom

Modern Organic Synthesis with α-Diazocarbonyl Compounds

A new method for exact analytical calculation of the accessible surface areas and their gradients with respect to atomic coordinates is described. The new surface routine, GETAREA, finds solvent-exposed vertices of intersecting atoms, and thereby avoids calculating buried vertices which are not needed to determine the accessible surface area by the Gauss)Bonnet theorem. The surface routine was implemented in FANTOM, a program for energy minimization and Monte Carlo simulation, and tested for accuracy and efficiency in extensive energy minimizations of Met-enkephalin, the a-amylase inhibitor . tendamistat, and avian pancreatic polypeptide APP . The CPU time for the exact calculation of the accessible surface areas and their gradients has been . . reduced by factors of 2.2 Met-enkephalin and 3.2 tendamistat compared with our previous approach. The efficiency of our exact method is similar to the recently described approximate methods MSEED and SASAD. The performance of several atomic solvation parameter sets was tested in searches for low energy conformations of APP among conformations near the native X-ray crystal structure and highly distorted structures. The protein solvation parameters from w . x

Exact and efficient analytical calculation of the accessible surface areas and their gradients for macromolecules

The aim of this review article on recent developments of mechanochemistry (nowadays established as a part of chemistry) is to provide a comprehensive overview of advances achieved in the field of atomistic processes, phase transformations, simple and multicomponent nanosystems and peculiarities of mechanochemical reactions. Industrial aspects with successful penetration into fields like materials engineering, heterogeneous catalysis and extractive metallurgy are also reviewed. The hallmarks of mechanochemistry include influencing reactivity of solids by the presence of solid-state defects, interphases and relaxation phenomena, enabling processes to take place under non-equilibrium conditions, creating a well-crystallized core of nanoparticles with disordered near-surface shell regions and performing simple dry time-convenient one-step syntheses. Underlying these hallmarks are technological consequences like preparing new nanomaterials with the desired properties or producing these materials in a reproducible way with high yield and under simple and easy operating conditions. The last but not least hallmark is enabling work under environmentally friendly and essentially waste-free conditions (822 references).

/pdf/hallmarks-of-mechanochemistry-from-nanoparticles-to-5cyjx2wiue.pdf

Hallmarks of mechanochemistry: From nanoparticles to technology

PurposeThe purpose of this study is to make a prediction of China's energy consumption structure from the perspective of compositional data and construct a novel grey model for forecasting compositional data.Design/methodology/approachDue to the existing grey prediction model based on compositional data cannot effectively excavate the evolution law of correlation dimension sequence of compositional data. Thus, the adaptive discrete grey prediction model with innovation term based on compositional data is proposed to forecast the integral structure of China's energy consumption. The prediction results from the new model are then compared with three existing approaches and the comparison results indicate that the proposed model generally outperforms existing methods. A further prediction of China's energy consumption structure is conducted into a future horizon from 2021 to 2035 by using the model.FindingsChina's energy structure will change significantly in the medium and long term and China's energy consumption structure can reach the long-term goal. Besides, the proposed model can better mine and predict the development trend of single time series after the transformation of compositional data.Originality/valueThe paper considers the dynamic change of grey action quantity, the characteristics of compositional data and the impact of new information about the system itself on the current system development trend and proposes a novel adaptive discrete grey prediction model with innovation term based on compositional data, which fills the gap in previous studies.

A novel adaptive discrete grey prediction model for forecasting development in energy consumption structure - from the perspective of compositional data

Asphalt is an important material widely used in the coating of surfaces such as roads, roofs, linings of water basins and pipes, but it can be potentially hazardous to human and environment because certain substances exist in asphalt, including polycyclic aromatic hydrocarbons. However, it is unknown about the effect of asphalt on soil. The aim of this study is to examine the effects of asphalt on the physiochemical parameters, the enzymatic activity, and the copy number of 16s rRNA bacteria and archaea in soil. Freshly collected garden oils were amended with asphalt of various amounts after 1, 15 and 26 days, respectively. Asphalt application increased the total organic carbon, decreased the total phosphorus and pH values in soil while total nitrogen was not altered, suggesting asphalt can alter the nutrient composition. The copy number of 16s rRNA of bacteria increased in soil with addition of asphalt but that of archaea decreased. The activity of catalase, dehydrogenase, urease, sucrose, cellulase and polyphenol oxidase increased in soil modified with asphalt. Principal components analysis of these parameters resulted in three major components. Urease, sucrose, cellulose, bacteria, dehydrogenase, dehydrogenase, total organic carbon and total nitrogen weighed heavily in component 1, suggesting that the increase of organic carbon affect the enzymatic activity significantly. Although the asphalt may contain much toxic toxicity, asphalt can potentially improve the fertilization of the soil.

	 

	Key words: Soil, asphalt, 16s rRNA, principal components analysis, bacteria.

Effects of asphalt on the enzymatic activity and bacterial community in soil

Superbasicity of potassium modified ZrO 2 can be characterized by Ex-situ IR of chemisorbed carbon dioxide and In-situ Raman spectra of chemisorbed pyrrole. All of the basic sites detected by these methods are lattice oxygen species that are strong electron-pair donor (EPD) Lewis basic site. Several surface carbonates are identified as bicarbonates, monodentates and bidentate species. As an H-bonding donator, moreover, pyrrole interacts with surface basic site to form a strong colinear NH−O through the H-bond between the basic site and the chemical adsorbed pyrrole, resulting in a sharp band at 1136 cm −1 .

Characterizing the novel porous superbase K+/ZrO2 by probe adsorption a raman study

The catalytic activity and selectivity of a novel porous solid superbase K + /ZrO 2 were tested in the isomerization of pent-1-ene, and the base strength distribution was measured in a non-polar system. The TG-DSC-MS technique was used to study the decomposition of KNO 3 on ZrO 2 , and to characterize the two evolutions of NO at low and above 600°C. The former NO evolution, owing to the decomposition of high-dispersed K + species, resulted in the formation of superbase sites, while the latter NO evolution, appeared at higher temperature, represented probably the decomposition of bulk potassium salt.

Isomerization of pent-1-ene on novel porous solid superbase K+/ZrO2

The Asia-Europe container trade is the most important trade in the world in terms of volumes transported (overtaking the Trans-Pacific trade in 2014). The typical structure of the supply chains associated with this trade is that containers are stuffed in China and the cargo is subsequently cross-docked at a major European logistics hub or closer to the customer, for further shipment to the final retailing point. This may be one of the reasons why short sea container shipping has only a limited market share of intra-European cargo flows, since once the cargo is unloaded from containers, it is more likely to be forwarded by land-based modes of transport. Paving the way for a greater proportion of cargo being cross-docked in China rather than Europe, may prove to be more cost-efficient and less environmentally damaging than the typical solution. This paper discusses the strengths and weaknesses of the typical solution and alternative solutions such as buyers' consolidation and concludes that new alternative solutions are worth investigating further. The potential for shifting from the typical solution to new alternatives is dependent on the identification of key decision makers in the design of these supply chains. As such, a careful analysis of this must be undertaken and the capability of Logistics service providers (LSPs) in China assessed.

Yuhong Wang

Papers

A novel adaptive discrete grey prediction model for forecasting development in energy consumption structure - from the perspective of compositional data

Effects of asphalt on the enzymatic activity and bacterial community in soil

Characterizing the novel porous superbase K+/ZrO2 by probe adsorption a raman study

Isomerization of pent-1-ene on novel porous solid superbase K+/ZrO2

Potential solutions to upstream buyer consolidation in the China-Europe container trades — An exploratory study