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Determination of novel biomarkers of colorectal cancer progression and therapy responsiveness

為了解決MPW London的問題，作者Precious Takondwa Makondi 這樣論述：

BackgroundMost patients with colorectal cancer (CRC) present with metastatic disease which is resistant to treatment. As the liver is the commonest metastatic site; the identification of biomarkers that can help in the prediction of liver metastases and identify patients who can benefit from curren

t treatments is crucial to improving patient survival. To identify novel biomarkers for CRC progression and therapy response; this project included three studies. The first study aims at identifying novel biomarkers and pathways for CRC distance metastasis to the liver, while the second and the thir

d studies aimed at identifying biomarkers and pathways for irinotecan and bevacizumab resistance in CRC respectively.Materials and methodsTo identify candidate microRNAs (miRNAs) and their target genes for CRC metastasis to the liver, Gene Expression Omnibus (GEO) datasets for miRNAs and genes expre

ssion were used to identify common differentially expressed genes (DEGs) and differentially expressed miRNAs (DEMs) between primary CRC tissues and corresponding liver metastases. The identified DEMs and their targets from the DEGs were verified in datasets comprising gene, miRNA tissue and exosome

expression of CRC patients with no distant metastases (M0) and distant metastases (M1); the interaction networks and pathways were also mapped.The novel biomarkers and pathways involved in CRC therapy response were identified using expression profiles between responsive and resistant irinotecan CRC

cell lines, and bevacizumab responsive and resistant CRC xenograft tumors. After the identification of DEGs, pathways involved were mapped and the driver genes in the pathways were identified by construction of protein-protein interaction (PPI) networks. The key genes in the PPI were validated clini

cally by their ability to predict irinotecan or bevacizumab resistance, OS, disease-free survival (DFS) or progress free survival (PFS). The gene-gene expression correlation was also predicted in CRC patients.ResultsStudy 1: There were 49 upregulated and 13 downregulated common DEGs, and 16 downregu

lated and 14 upregulated common DEMs. From these, five upregulated and four downregulated predicted DEM targets from the DEGs were identified. In clinical validation, MiR-20a was significantly high in M1, with the combination of MiR-20a, -495, -576-5p and -449a offering a superior prediction value.

In miRNA exosomes, MiR-576-5p was significantly low in M1, while MiR-20a and -449a were highly expressed, and combination of miR-20a, -495, -576-5p, -449a, -619 and -382 provided best predictive value. The enriched pathways were; regulation of IGF transport and uptake by IGFBPs, extracellular matrix

organization, signal transduction and immune system.Study 2: There were 36 upregulated and 99 downregulated DEGs. Pathways in cancer, ras signaling, ovarian steroidogenesis, MAPK signaling and serotogenic synapse were the enriched pathways. The four upregulated (FGF2, FGF9, GNAS and BIRC3) and thre

e downregulated (GNG11, GNG4 and WNT3A) DEGs had high degrees. FGF9, GNAS and GNG4 were highly expressed in irinotecan non-responders, and the high expression of FGF9, FGF2 and GNG11 was associated with unfavorable OS while FGF9, GNAS and GNG11 high expression was associated with unfavorable DFS. In

addition, FGF2 correlated with all seven genes.Study 3: There were 57 DEGs were upregulated while 67 were downregulated. The enriched pathways were the phosphoinositide 3-kinase-serine/threonine kinase signaling pathway, pantothenate and CoA biosynthesis and rheumatoid arthritis pathways. PPI netwo

rk analysis showed that three upregulated genes (CDKN1A, PDGFA and MMP1) and three downregulated genes (TLR4, CD19 and BRCA1) had high degrees. MMP1 was highly expressed in bevacizumab resistant patients while BRCA1 was lowly expressed. High PDGFA expression was associated with poor OS, whereas high

BRCA1 and MMP1 expression levels were associated with favorable PFS. BRCA1 correlated with all genes five genes.ConclusionThe identified biomarkers and pathways are potential predictors and targets of CRC progression, therapeutic responsiveness and prognosis.

氟甲烷和氯甲烷光電子光譜 的理論研究

為了解決MPW London的問題，作者蕭紹甫 這樣論述：

本研究利用量子化學計算方法，對氟甲烷和氯甲烷進行光電子光譜模擬計算。研究採用密度函理論的B3LYP、B3PW91以及M06泛函數，搭配aug-cc-pVTZ基組，計算氟甲烷、氯甲烷分子及其陽離子的平衡結構與諧和振動頻率，再運用本研究團隊開發的方法計算法蘭克-康登因子，進而模擬出其光電子光譜。此外，研究也利用CCSD(T)/aug-cc-pVXZ(X = D, T, Q, 5)方法對各別分子與陽離子能量進行計算，並利用Peterson等人的公式及本研究團隊研發的兩個公式，將四點能量外插至完備基組極限，以獲得兩個分子的絕熱游離能。研究結果顯示，氟甲烷和氯甲烷的模擬光電子光譜與實驗光譜相符合，計算

的游離能也與實驗值相近，顯示我們提出的完備基組能量公式，具有準確性與實用性。