cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2fmjsd
title: CCDC 2253104: Experimental Crystal Structure Determination

description: Related Article: Yong Yang, Min Xue|2023|Chem.-Eur.J.|29|e202301832|doi:10.1002/chem.202301832
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fmjtf
title: CCDC 2253105: Experimental Crystal Structure Determination

description: Related Article: Yong Yang, Min Xue|2023|Chem.-Eur.J.|29|e202301832|doi:10.1002/chem.202301832
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.6084/m9.figshare.19681715
title: Additional file 2 of Transcriptome and metabolome analyses reveal new insights into chlorophyll, photosynthesis, metal ion and phenylpropanoids related pathways during sugarcane ratoon chlorosis

description: Additional file 2: Table S2. The expression and annotation of all the differential expression unigenes. This table included 11,776 unigenes. The read count, FPKM value, foldchange, KEGG and GO annotation were indicated.
DOI: 10.5517/ccdc.csd.cc2gsxx3
title: CCDC 2288076: Experimental Crystal Structure Determination

description: Related Article: Pol Gimeno-Fonquernie, Jorge Albalad, Jason R. Price, Witold M. Bloch, Jack D. Evans, Christian J. Doonan, Christopher J. Sumby|2024|J.Mater.Chem.C|12|2359|doi:10.1039/D3TC03606E
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2gsxy4
title: CCDC 2288077: Experimental Crystal Structure Determination

description: Related Article: Pol Gimeno-Fonquernie, Jorge Albalad, Jason R. Price, Witold M. Bloch, Jack D. Evans, Christian J. Doonan, Christopher J. Sumby|2024|J.Mater.Chem.C|12|2359|doi:10.1039/D3TC03606E
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.6084/m9.figshare.8147876.v1
title: Additional file 2: of Genetic relationship between IL-10 gene polymorphisms and the risk of clinical atopic dermatitis

description: Figure S1. Subgroup analysis of the IL-10 -1082 A/G polymorphism according to ethnicity under the allele G vs. A model. Figure S2. Subgroup analysis of the IL-10 -1082 A/G polymorphism according to ethnicity under the AG vs. AA model. Figure S3. Subgroup analysis of the IL-10 -1082 A/G polymorphism according to ethnicity under the AG + GG vs. AA model. Figure S4. Subgroup analysis of the IL-10 -819 T/C polymorphism according to ethnicity under the allele C vs. T model. Figure S5. Subgroup analysis of the IL-10 -819 T/C polymorphism according to ethnicity under the TC vs. TT model. Figure S6. Subgroup analysis of the IL-10 -819 T/C polymorphism according to ethnicity under the TC + CC vs. TT model. Figure S7. Subgroup analysis of IL-10 -592 A/C polymorphism according to ethnicity under the allele C vs. A model. Figure S8. Subgroup analysis of IL-10 -592 A/C polymorphism according to ethnicity under the AC vs. AA model. Figure S9. Subgroup analysis of IL-10 -592 A/C polymorphism according to ethnicity under the AC + CC vs. AA model. (ZIP 2797 kb)
DOI: 10.5517/ccdc.csd.cc2gsxz5
title: CCDC 2288078: Experimental Crystal Structure Determination

description: Related Article: Pol Gimeno-Fonquernie, Jorge Albalad, Jason R. Price, Witold M. Bloch, Jack D. Evans, Christian J. Doonan, Christopher J. Sumby|2024|J.Mater.Chem.C|12|2359|doi:10.1039/D3TC03606E
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2gsy07
title: CCDC 2288079: Experimental Crystal Structure Determination

description: Related Article: Pol Gimeno-Fonquernie, Jorge Albalad, Jason R. Price, Witold M. Bloch, Jack D. Evans, Christian J. Doonan, Christopher J. Sumby|2024|J.Mater.Chem.C|12|2359|doi:10.1039/D3TC03606E
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.6084/m9.figshare.19681715.v1
title: Additional file 2 of Transcriptome and metabolome analyses reveal new insights into chlorophyll, photosynthesis, metal ion and phenylpropanoids related pathways during sugarcane ratoon chlorosis

description: Additional file 2: Table S2. The expression and annotation of all the differential expression unigenes. This table included 11,776 unigenes. The read count, FPKM value, foldchange, KEGG and GO annotation were indicated.
DOI: 10.6084/m9.figshare.19681724
title: Additional file 5 of Transcriptome and metabolome analyses reveal new insights into chlorophyll, photosynthesis, metal ion and phenylpropanoids related pathways during sugarcane ratoon chlorosis

description: Additional file 5: Table S5. The differential expression genes of Porphyrin and chlorophyll metabolism pathway.
DOI: 10.5517/ccdc.csd.cc2h1yj1
title: CCDC 2295783: Experimental Crystal Structure Determination

description: Related Article: Jingheng Nie, Xiangyan Yun, Fangrui Cheng, Ban Lan, Renping Cao, Jing Wang|2024|J.Mater.Chem.C|12|2571|doi:10.1039/D3TC04202B
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.6084/m9.figshare.19681727
title: Additional file 6 of Transcriptome and metabolome analyses reveal new insights into chlorophyll, photosynthesis, metal ion and phenylpropanoids related pathways during sugarcane ratoon chlorosis

description: Additional file 6: Table S6. The differential expression genes of Photosynthesis and Photosynthesis - antenna proteins pathways.
DOI: 10.6084/m9.figshare.22826704.v1
title: Additional file 2 of Decoding the key compounds and mechanism of Shashen Maidong decoction in the treatment of lung cancer

description: Additional file 2: Additional Table 1. All herbal components of SMD. Additional Table 2. Active components of SMD. Additional Table 3. Predicted targets of active components from SMD. Additional Table 4. Pathogenic genes of lung cancer downloaded from DisGeNET database. Additional Table 5. The CDR of active components.
DOI: 10.5517/ccdc.csd.cc2gzxzc
title: CCDC 2293844: Experimental Crystal Structure Determination

description: Related Article: Deepak Manoharan, Subham Ranjan, Franziska Emmerling, Biswajit Bhattacharya, Satoshi Takamizawa, Soumyajit Ghosh|2024|J.Mater.Chem.C|12|2515|doi:10.1039/D3TC04272C
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2h7ncs
title: CCDC 2301265: Experimental Crystal Structure Determination

description: Related Article: Deepak Manoharan, Subham Ranjan, Franziska Emmerling, Biswajit Bhattacharya, Satoshi Takamizawa, Soumyajit Ghosh|2024|J.Mater.Chem.C|12|2515|doi:10.1039/D3TC04272C
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.6084/m9.figshare.17060162.v1
title: LC-MS/MS and GC-MS/MS cross-checking analysis method for 247 pesticide residues in sweet pepper (<i>Capsicum annuum</i>)

description: A simultaneous analysis method using LC-MS/MS and GC-MS/MS was developed for improving the analysis accuracy of various pesticide residues. Samples spiked with 247 and 34 pesticide residues were analyzed by LC-MS/MS and GC-MS/MS, respectively. The method was verified by measuring sensitivity, linearity, selectivity, precision, and accuracy. LC-MS/MS LOD and LOQ values were determined to be 0.03–0.5 μg/kg, and 0.6–1.5 μg/kg, respectively, while the corresponding values for GC-MS/MS were found to be 0.9–2.0 μg/kg and from 3.0–5.7 μg/kg, respectively. Most of the 34 common residues had recovery rates of 70–120%. The results showed that the developed method can be a reliable and more accurate than the general multi component analysis method.
DOI: 10.6084/m9.figshare.19681721
title: Additional file 4 of Transcriptome and metabolome analyses reveal new insights into chlorophyll, photosynthesis, metal ion and phenylpropanoids related pathways during sugarcane ratoon chlorosis

description: Additional file 4: Table S4. The KEGG pathway enrichment analysis results of the differential expression unigenes.
DOI: 10.5517/ccdc.csd.cc2h7ndt
title: CCDC 2301266: Experimental Crystal Structure Determination

description: Related Article: Deepak Manoharan, Subham Ranjan, Franziska Emmerling, Biswajit Bhattacharya, Satoshi Takamizawa, Soumyajit Ghosh|2024|J.Mater.Chem.C|12|2515|doi:10.1039/D3TC04272C
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2hc79f
title: CCDC 2304704: Experimental Crystal Structure Determination

description: Related Article: Hua-Xiu Ni, Xu-Feng Luo, Li Yuan, Jia-Jun Hu, Wen-Wei Zhang, You-Xuan Zheng|2024|J.Mater.Chem.C|12|2578|doi:10.1039/D3TC04257J
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2hdglz
title: CCDC 2305891: Experimental Crystal Structure Determination

description: Related Article: Shotaro Nakamura, Kohei Okubo, Yuji Nishii, Koji Hirano, Norimitsu Tohnai, Masahiro Miura|2024|J.Mater.Chem.C|12|2370|doi:10.1039/D3TC04748B
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.6084/m9.figshare.19681754
title: Inhibition of long noncoding RNA cancer susceptibility candidate 7 attenuates hepatocellular carcinoma development by targeting microRNA-30a-5p

description: Long non-coding RNA (lncRNA) cancer susceptibility candidate 7 (CASC7) was reported to be participated in tumor development. This study was carried out to investigate the functions of CASC7 in hepatocellular carcinoma (HCC) progression. The expression of CASC7 and microRNA-30a-5p (miR-30a-5p) in HCC tissues and cells were detected by quantitative Real-time PCR (qRT-PCR). The expression of Krueppel-like factor 10 (KLF10), transforming growth factor-β (TGF-β), and SMAD3 were detected by Western Blot analysis. Transwell assay, flow cytometry, Cell Counting Kit-8 (CCK-8) assay and colony formation assay were performed to evaluate the effects of CASC7, KLF10 and miR-30a-5p on cell function. The relationship among CASC7, KLF10 and miR-30a-5p was evaluated by luciferase reporter assay and bioinformatics analyses. Tumor growth was detected in nude mice. The expression levels of CASC7 were increased and the expression levels of miR-30a-5p were reduced in HCC cells and tissues. Knockdown of CASC7 and overexpression of miR-30a-5p reduced tumor growth as well as HCC cell proliferation, invasion and migration. In HCC tumor tissues, the expression of miR-30a-5p was negatively correlated with the expression of CASC7. Moreover, as a target of miR-30a-5p, KLF10 was regulated by CASC7 and miR-30a-5p, and CASC7 regulated the KLF10/TGF-β/SMAD3 pathway via binding to miR-30a-5p, thereby promoting HCC cell progression.
DOI: 10.5517/ccdc.csd.cc2hdgm0
title: CCDC 2305892: Experimental Crystal Structure Determination

description: Related Article: Shotaro Nakamura, Kohei Okubo, Yuji Nishii, Koji Hirano, Norimitsu Tohnai, Masahiro Miura|2024|J.Mater.Chem.C|12|2370|doi:10.1039/D3TC04748B
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.6084/m9.figshare.19681733
title: Additional file 8 of Transcriptome and metabolome analyses reveal new insights into chlorophyll, photosynthesis, metal ion and phenylpropanoids related pathways during sugarcane ratoon chlorosis

description: Additional file 8: Table S8. The 598 metabolites identified in metabolome. The table included the quantification value, mass spectrum character, and compound identification information of each metabolites.
DOI: 10.6084/m9.figshare.19681754.v1
title: Inhibition of long noncoding RNA cancer susceptibility candidate 7 attenuates hepatocellular carcinoma development by targeting microRNA-30a-5p

description: Long non-coding RNA (lncRNA) cancer susceptibility candidate 7 (CASC7) was reported to be participated in tumor development. This study was carried out to investigate the functions of CASC7 in hepatocellular carcinoma (HCC) progression. The expression of CASC7 and microRNA-30a-5p (miR-30a-5p) in HCC tissues and cells were detected by quantitative Real-time PCR (qRT-PCR). The expression of Krueppel-like factor 10 (KLF10), transforming growth factor-β (TGF-β), and SMAD3 were detected by Western Blot analysis. Transwell assay, flow cytometry, Cell Counting Kit-8 (CCK-8) assay and colony formation assay were performed to evaluate the effects of CASC7, KLF10 and miR-30a-5p on cell function. The relationship among CASC7, KLF10 and miR-30a-5p was evaluated by luciferase reporter assay and bioinformatics analyses. Tumor growth was detected in nude mice. The expression levels of CASC7 were increased and the expression levels of miR-30a-5p were reduced in HCC cells and tissues. Knockdown of CASC7 and overexpression of miR-30a-5p reduced tumor growth as well as HCC cell proliferation, invasion and migration. In HCC tumor tissues, the expression of miR-30a-5p was negatively correlated with the expression of CASC7. Moreover, as a target of miR-30a-5p, KLF10 was regulated by CASC7 and miR-30a-5p, and CASC7 regulated the KLF10/TGF-β/SMAD3 pathway via binding to miR-30a-5p, thereby promoting HCC cell progression.
DOI: 10.6084/m9.figshare.19681955.v1
title: Down-regulated HSA_circ_0003528 inhibits hepatocellular carcinoma aggressiveness via the miR-212-3p/<i>XIAP</i> axis

description: Hepatocellular carcinoma (HCC) is characterized by a high mortality rate. Dysregulated circular RNAs (circRNAs) play a vital role in HCC. We aimed to study the role of circ_0003528 in HCC and its fundamental molecular mechanisms. HSA_circ_0003528 was identified through bioinformatics dataset analysis. The binding sites between mRNA and miRNA were predicted using online bioinformatics tools. The interaction between miR-212-3p and X-linked inhibitor of apoptosis protein (<i>XIAP</i>) or circ_0003528 was confirmed through the luciferase reporter assay. RT-qPCR and western blot assays were used to analyze the expression of all miRNAs/mRNAs and proteins. Cellular functions were evaluated using the MTT and TUNEL assays. A xenograft model was established to evaluate the function of circ_0003528 <i>in vivo</i>. Circ_0003528 was dramatically overexpressed in HepG2 and HUH7 cells. However, knockdown of circ_0003528 suppressed the aggressiveness of HCC cells and tumor growth both <i>in vitro</i> and <i>in vivo</i>. Furthermore, binding of miR-212-3p to circ_0003528 and <i>XIAP</i> was verified. Downregulation of miR-212-3p abrogated the effects of si-circ_0003528 on cell viability and apoptosis, and upregulation of <i>XIAP</i> antagonized the functions of the miR-212-3p mimic in HCC cells. circ_0003528 contributes to the development of HCC <i>in vitro</i> and <i>in vivo</i> via the miR-212-3p/<i>XIAP</i> axis. Hence, circ_0003528 knockdown may be a potential therapeutic strategy for HCC treatment.
DOI: 10.6084/m9.figshare.20206271.v1
title: Optimization of the vancomycin administration regimen by clinical pharmacists based on a population pharmacokinetics model: a prospective interventional study

description: In vancomycin treatment, the rates of correct blood sampling and initial trough concentrations within the target range are very low. Studies of interventions by clinical pharmacists based on population pharmacokinetics (PPK) models are limited. This study aimed to evaluate the intervention effect of clinical pharmacist-mediated optimization of the vancomycin administration regimen based on a PPK model. Retrospectively enrolled patients constituted the control group, and prospectively enrolled patients constituted the intervention group. The vancomycin administration regimen, trough concentration, pharmacokinetic parameters, and clinical outcomes of the two groups were compared. The control and intervention groups comprised 236 and 138 patients, respectively. Compared with those in the control group, the therapeutic drug monitoring (TDM) and correct TDM sampling time rates in the intervention group were significantly higher (76.92% vs. 43.59%; 63.9% vs. 39.0%, both <i>p &lt;</i> 0.001). The rates of an initial trough concentration within 10–20 mg/L and an adjusted regimen were also significantly higher in the intervention group (55.80% vs. 30.51%, 71.95% vs. 39.18%, both <i>p &lt;</i> 0.001). The rate of an area under the curve (AUC) within 400–650 mg·h/L was higher in the intervention group than in the control group (52.7% vs. 36.6%, <i>p &lt;</i> 0.001). The eradication rates of Gram-positive bacteria were 91.4% in the intervention group and 81.3% in the control group (<i>p</i> = 0.049). Eight patients developed acute kidney injury (AKI) in the control group; however, no AKI occurred in the intervention group (<i>p</i> = 0.029). Intervention by clinical pharmacists can increase the rate of correct sampling time. Using the PPK model combined with Bayesian estimation, clinical pharmacists can greatly increase the trough concentration and AUCs within the target range, especially for adjusted regimens. Higher PK/PD target rates resulted in better Gram-positive bacterial eradication and reduced renal toxicity of vancomycin.
DOI: 10.6084/m9.figshare.11294129
title: MOESM4 of Polysaccharide biosynthetic pathway profiling and putative gene mining of Dendrobium moniliforme using RNA-Seq in different tissues

description: Additional file 4. Differential expression genes between Dm_R and Dm_S.
DOI: 10.6084/m9.figshare.11294129.v1
title: MOESM4 of Polysaccharide biosynthetic pathway profiling and putative gene mining of Dendrobium moniliforme using RNA-Seq in different tissues

description: Additional file 4. Differential expression genes between Dm_R and Dm_S.
DOI: 10.6084/m9.figshare.19681756
title: CCDC106 promotes the proliferation and invasion of ovarian cancer cells by suppressing p21 transcription through a p53-independent pathway

description: Ovarian cancers are the major cause of mortality for women worldwide. This study was aimed to elucidate the biological activities of CCDC106 in the proliferation and invasion of mutant p53 and of wild-type p53 ovarian cancer cells. CAOV3 (mutant p53) cells showed high expression levels of CCDC106, but it was expressed at low levels in SKOV3 (mutant p53) and in A2780 (wild-type p53) cells. The overexpression of CCDC106 promoted the expression of proliferation markers (cyclin family members), invasion and Epithelial-to-mesenchymal transition (EMT) markers (claudin-1, claudin-4, N-cadherin, snail, slug) while the knockdown of CCDC106 inhibited their expression in mutant p53 cells but not in wild-type p53 cells. Treatment with a CK2 inhibitor blocked the translocation of CCDC106 into the nuclei of mutant p53 cells. Immunoprecipitation assays confirmed that ATF4 is a potential binding partner of CCDC106. The overexpression of CCDC106 reduced p21 and p27 protein expression levels while treatment with an ATF4 siRNA rescued their expression. The overexpression of CCDC106 promoted colony formation and invasion of mutant p53 cells, which was suppressed by treatment with an ATF4 siRNA. Immunohistochemistry results showed that CCDC106 and ATF4 are expressed at high levels but p21 is expressed at low levels in FIGO III–IV stage and in mutant p53 ovarian cancer samples. A significant association between poor overall survival and high CCDC106 and ATF4 expression levels was observed in human ovarian cancer samples. In conclusion, CCDC106 promotes proliferation, invasion and EMT of mutant p53 ovarian cancer cells via the ATF4 mediated inhibition of p21.