Molecular mechanics force fields from ab initio calculations

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/87595/2/224_1.pd

The geology of Tianshui‐Qin'an area of the western Loess Plateau and the chemical characteristics of its Neolithic pottery

The difference in the chemical compositions between Neolithic pottery from the eastern and western ends of the northern Chinese Loess Plateau has been known for some time and a number of possible explanations have been proposed. However, a full understanding of the difference is yet to be achieved. Based on recent geological studies of the Tianshui-Qin’an area on the western Loess Plateau, the present study establishes a logical connection between the chemical characteristics of Neolithic pottery from the western Loess Plateau and the primary sediments available in the area. Moreover, this study reveals that the chemical compositions of clay used for fine wares and coarse wares at Dadiwan also bear some clear differences. Based on these findings, the paper discusses possible clay selection methods by potters in the Neolithic western Loess Plateau to make their different wares based on the locales where suitable raw materials are available. The paper demonstrates that the raw materials available for pottery making on the eastern and western Loess Plateau differ significantly and this explains the marked difference in ceramic composition between the two locations

Cartilage oligomeric matrix protein associates with a vulnerable plaque phenotype in human atherosclerotic plaques

Background and Purpose- Extracellular matrix proteins are important in atherosclerotic disease by influencing plaque stability and cellular behavior but also by regulating inflammation. COMP (cartilage oligomeric matrix protein) is present in healthy human arteries and expressed by smooth muscle cells. A recent study showed that transplantation of COMP-deficient bone marrow to apoE-/- mice increased atherosclerotic plaque formation, indicating a role for COMP also in bone marrow-derived cells. Despite the evidence of a role for COMP in murine atherosclerosis, knowledge is lacking about the role of COMP in human atherosclerotic disease. Methods- In the present study, we investigated if COMP was associated with a stable or a vulnerable human atherosclerotic plaque phenotype by analyzing 211 carotid plaques for COMP expression using immunohistochemistry. Results- Plaque area that stained positive for COMP was significantly larger in atherosclerotic plaques associated with symptoms (n=110) compared with asymptomatic plaques (n=101; 9.7% [4.7-14.3] versus 5.6% [2.8-9.8]; P=0.0002). COMP was positively associated with plaque lipids (r=0.32; P=0.000002) and CD68 cells (r=0.15; P=0.036) but was negatively associated with collagen (r=-0.16; P=0.024), elastin (r=-0.14; P=0.041), and smooth muscle cells (r=-0.25; P=0.0002). COMP was positively associated with CD163 (r=0.37; P=0.00000006), a scavenger receptor for hemoglobin/haptoglobin and a marker of Mhem macrophages, and with intraplaque hemorrhage, measured as glycophorin A staining (r=0.28; P=0.00006). Conclusions- The present study shows that COMP is associated to symptomatic carotid atherosclerosis, CD163-expressing cells, and a vulnerable atherosclerotic plaque phenotype in humans