A parallel algorithm for generating molecular integrals over MO basis sets

AbstractIn the post Hartree–Fock theories such as multi-configuration self consistent field and configuration interaction, two electron integral transformation to molecular orbital sets is the most time consuming process for large-scale calculations. Parallelization is key to minimize the computer time for it. Then, a parallel integral-driven algorithm is presented for the integral transformation

Holographic Pseudo Entropy

We introduce a quantity, called pseudo entropy, as a generalization of entanglement entropy via post-selection. In the AdS/CFT correspondence, this quantity is dual to areas of minimal area surfaces in time-dependent Euclidean spaces which are asymptotically AdS. We study its basic properties and classifications in qubit systems. In specific examples, we provide a quantum information theoretic meaning of this new quantity as an averaged number of Bell pairs when the post-selection is performed. We also present properties of the pseudo entropy for random states. We then calculate the pseudo entropy in the presence of local operator excitations for both the two dimensional free massless scalar CFT and two dimensional holographic CFTs. We find a general property in CFTs that the pseudo entropy is highly reduced when the local operators get closer to the boundary of the subsystem. We also compute the holographic pseudo entropy for a Janus solution, dual to an exactly marginal perturbation of a two dimensional CFT and find its agreement with a perturbative calculation in the dual CFT. We show the linearity property holds for holographic states, where the holographic pseudo entropy coincides with a weak value of the area operator. Finally, we propose a mixed state generalization of pseudo entropy and give its gravity dual.Comment: 92 pages, 25 figures; v3: discussion improved, comments adde

MicroRNA, hsa-miR-200c, is an independent prognostic factor in pancreatic cancer and its upregulation inhibits pancreatic cancer invasion but increases cell proliferation

<p>Abstract</p> <p>Background</p> <p>Recently, the microRNA-200 family was reported to affect cancer biology by regulating epithelial to mesenchymal transition (EMT). Especially, the expression of <it>miR-200c </it>has been shown to be associated with upregulating the expression of <it>E-cadherin</it>, a gene known to be involved in pancreatic cancer behavior. However, the significance of <it>miR-200c </it>in pancreatic cancer is unknown.</p> <p>Methods</p> <p>In the present study, we investigated the relationship between <it>E-cadherin </it>and <it>miR-200c </it>expression in a panel of 14 pancreatic cancer cell lines and in macro-dissected formalin-fixed paraffin-embedded (FFPE) tissue samples obtained from 99 patients who underwent pancreatectomy for pancreatic cancer. We also investigated the effects of <it>miR-200c </it>on the proliferation and invasion of pancreatic cancer cells.</p> <p>Results</p> <p>We found that patients with high levels of <it>miR-200c </it>expression had significantly better survival rates than those with low levels of <it>miR-200c </it>expression. We also found a remarkably strong correlation between the levels of <it>miR-200c </it>and <it>E-cadherin </it>expression.</p> <p>Conclusions</p> <p>These data indicate that <it>miR-200c </it>may play a role in the pancreatic cancer biology and may be a novel marker for the prognosis of pancreatic cancer.</p

イソプレン ソクサ オ ユウスル ショクブツ セイブン ノ ex vivo ユウキ ゴウセイ ト ソノ セイリ カッセイ ノ ヒョウカ

Phytyl quinols, namely acyclic tocopherols, are key intermediates of tocopherol biosynthesis, but their biological activities remain unclear. We therefore investigated the structure-activity relationship of phytyl quinols to apply a chemical biosynthesis design for an antiatherosclerosis drug based on isoprenomics. We have achieved the biosynthesis-oriented synthesis of α- and β-phytyl quinol as an unnatural intermediate, other γ- and δ-phytyl quinol as a natural one. All four phytyl quinols showed almost the same moderate inhibitory activity against low-density lipoprotein oxidation instead of their different degree of C-methylation with character different from tocopherols. In vivo toxicities of phytyl quinols against chick embryo chorioallantoic membrane vasculature were hardly observed. We proposed phytyl quinols were possible antioxidants in plants and animals, like vitamin E

イソプレン ソクサ オ ユウスル ショクブツ セイブン ノ ex vivo ユウキ ゴウセイ ト ソノ セイリ カッセイ ノ ヒョウカ

Phytyl quinols, namely acyclic tocopherols, are key intermediates of tocopherol biosynthesis, but their biological activities remain unclear. We therefore investigated the structure-activity relationship of phytyl quinols to apply a chemical biosynthesis design for an antiatherosclerosis drug based on isoprenomics. We have achieved the biosynthesis-oriented synthesis of α- and β-phytyl quinol as an unnatural intermediate, other γ- and δ-phytyl quinol as a natural one. All four phytyl quinols showed almost the same moderate inhibitory activity against low-density lipoprotein oxidation instead of their different degree of C-methylation with character different from tocopherols. In vivo toxicities of phytyl quinols against chick embryo chorioallantoic membrane vasculature were hardly observed. We proposed phytyl quinols were possible antioxidants in plants and animals, like vitamin E