cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2gq9h0
title: CCDC 2285552: Experimental Crystal Structure Determination

description: Related Article: Yuichi Hirai, Anna Wrona-Piotrowicz, Janusz Zakrzewski, Magdalena Ciechańska, Takahito Ohmura, Takashi Takeda, Takayuki Nakanishi, Rémi Métivier, Clémence Allain|2024|J.Mater.Chem.C|12|1952|doi:10.1039/D3TC03968D
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.cc2gq9j1
title: CCDC 2285553: Experimental Crystal Structure Determination

description: Related Article: Yuichi Hirai, Anna Wrona-Piotrowicz, Janusz Zakrzewski, Magdalena Ciechańska, Takahito Ohmura, Takashi Takeda, Takayuki Nakanishi, Rémi Métivier, Clémence Allain|2024|J.Mater.Chem.C|12|1952|doi:10.1039/D3TC03968D
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.cc2gq9fy
title: CCDC 2285550: Experimental Crystal Structure Determination

description: Related Article: Yuichi Hirai, Anna Wrona-Piotrowicz, Janusz Zakrzewski, Magdalena Ciechańska, Takahito Ohmura, Takashi Takeda, Takayuki Nakanishi, Rémi Métivier, Clémence Allain|2024|J.Mater.Chem.C|12|1952|doi:10.1039/D3TC03968D
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.cc2gq9gz
title: CCDC 2285551: Experimental Crystal Structure Determination

description: Related Article: Yuichi Hirai, Anna Wrona-Piotrowicz, Janusz Zakrzewski, Magdalena Ciechańska, Takahito Ohmura, Takashi Takeda, Takayuki Nakanishi, Rémi Métivier, Clémence Allain|2024|J.Mater.Chem.C|12|1952|doi:10.1039/D3TC03968D
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.cc2gq9dx
title: CCDC 2285549: Experimental Crystal Structure Determination

description: Related Article: Yuichi Hirai, Anna Wrona-Piotrowicz, Janusz Zakrzewski, Magdalena Ciechańska, Takahito Ohmura, Takashi Takeda, Takayuki Nakanishi, Rémi Métivier, Clémence Allain|2024|J.Mater.Chem.C|12|1952|doi:10.1039/D3TC03968D
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.cc2gq9bv
title: CCDC 2285547: Experimental Crystal Structure Determination

description: Related Article: Yuichi Hirai, Anna Wrona-Piotrowicz, Janusz Zakrzewski, Magdalena Ciechańska, Takahito Ohmura, Takashi Takeda, Takayuki Nakanishi, Rémi Métivier, Clémence Allain|2024|J.Mater.Chem.C|12|1952|doi:10.1039/D3TC03968D
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.cc2gq9cw
title: CCDC 2285548: Experimental Crystal Structure Determination

description: Related Article: Yuichi Hirai, Anna Wrona-Piotrowicz, Janusz Zakrzewski, Magdalena Ciechańska, Takahito Ohmura, Takashi Takeda, Takayuki Nakanishi, Rémi Métivier, Clémence Allain|2024|J.Mater.Chem.C|12|1952|doi:10.1039/D3TC03968D
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.cc2gq99t
title: CCDC 2285546: Experimental Crystal Structure Determination

description: Related Article: Yuichi Hirai, Anna Wrona-Piotrowicz, Janusz Zakrzewski, Magdalena Ciechańska, Takahito Ohmura, Takashi Takeda, Takayuki Nakanishi, Rémi Métivier, Clémence Allain|2024|J.Mater.Chem.C|12|1952|doi:10.1039/D3TC03968D
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.19106167.v1
title: Additional file 8 of Comparative metabolomic analysis reveals shared and unique chemical interactions in sponge holobionts

description: Additional file 7: Appendix file 2. Relative abundance of MFs and differential abundance analysis results.
DOI: 10.6084/m9.figshare.19106177.v1
title: Additional file 2 of Biosystematics studies on Elymus breviaristatus and Elymus sinosubmuticus (Poaceae: Triticeae)

description: Additional file 2.
DOI: 10.6084/m9.figshare.21203370
title: Additional file 2 of Fine mapping of the gene controlling the weeping trait of Prunus persica and its uses for MAS in progenies

description: Additional file 2: Table S2. Genome-wide Delta_SNP_index.
DOI: 10.6084/m9.figshare.14904065.v1
title: Additional file 4 of Genetic relationships and identification of core germplasm among rice photoperiod- and thermo-sensitive genic male sterile lines

description: Additional file 4: Table 2. Chromosome wise values of various genetic diversity parameters for four populations.
DOI: 10.6084/m9.figshare.19106210
title: Additional file 2 of Systematic review of Mendelian randomization studies on risk of cancer

description: Additional file 2: File S1. List of excluded studies and reason for exclusion. File S2. List of distinct exposures per exposure category. File S3. Evidence base. Table S1. Description of instrument characteristics by exposure category. Table S2. Summary results of the main and sensitivity Mendelian randomization (MR) analyses by exposure category and cancer group. Table S3. Grading of the evidence based on the sensitivity analysis by excluding the results from the MR-Egger test.
DOI: 10.6084/m9.figshare.21203376.v1
title: Additional file 4 of Fine mapping of the gene controlling the weeping trait of Prunus persica and its uses for MAS in progenies

description: Additional file 4: Table S4. Fine-mapping results based on segregated populations.
DOI: 10.5281/zenodo.10570201
title: Possible chiral spin liquid state in the S=1/2 kagome Heisenberg model
DOI: 10.5281/zenodo.10570202
title: Possible chiral spin liquid state in the S=1/2 kagome Heisenberg model
DOI: 10.5281/zenodo.10657375
title: Possible chiral spin liquid state in the S=1/2 kagome Heisenberg model
DOI: 10.6084/m9.figshare.23300555.v1
title: Is it necessary for all patients with suspicious lesions undergo systematic biopsy in the era of MRI-TRUS fusion targeted biopsy?

description: ABSTRACT Purpose Targeted biopsy (TB) combined with systematic biopsy (SB) is an optimized mode of prostate biopsy but can often lead to oversampling and overdiagnosis accompanied by potential biopsy-related complications and patient discomfort. Here, we attempted to reasonably stratify the patient population based on multi-parameter indicators with the aim of avoiding unnecessary SB. Methods In total, 340 biopsy-naïve men with suspected lesions, prostate-specific antigen (PSA) &lt; 20 ng/mL and prostate imaging-reporting and data system (PI-RADS) ≥ 3 enrolled for study underwent both TB and SB. The primary outcome was to determine independent predictors for a valid diagnosis, assuming that only TB was performed and SB omitted (defined as mono-TB), taking TB + SB as the reference standard. The secondary outcomes were exploration of the predictive factors of mono-TB and TB + SB in detection of prostate cancer (PCa) and clinically significant PCa (csPCa). Results The mean PSA density (PSAD) of patient group was 0.27 ng/mL/mL. Multiparametric MRI PI-RADS scores were 3-5 in 146 (42.94%), 105 (30.88%), and 89 (26.18%) cases, respectively. PCa and csPCa were detected in 178/340 (52.35%) and 162/340 (47.65%) patients, respectively. Overall, 116/178 (65.17%) patients diagnosed with PCa displayed pathological consistencies between mono-TB and TB + SB modes. PSAD and PI-RADS were independent predictors of valid diagnosis using mono-TB. Conclusions PSAD combined with PI-RADS showed utility in guiding optimization of the prostate biopsy mode. Higher PSAD and PI-RADS values were associated with greater confidence in implementing mono-TB and safely omitting SB, thus effectively balancing the benefits and risks.
DOI: 10.6084/m9.figshare.19106177
title: Additional file 2 of Biosystematics studies on Elymus breviaristatus and Elymus sinosubmuticus (Poaceae: Triticeae)

description: Additional file 2.
DOI: 10.6084/m9.figshare.19106210.v1
title: Additional file 2 of Systematic review of Mendelian randomization studies on risk of cancer

description: Additional file 2: File S1. List of excluded studies and reason for exclusion. File S2. List of distinct exposures per exposure category. File S3. Evidence base. Table S1. Description of instrument characteristics by exposure category. Table S2. Summary results of the main and sensitivity Mendelian randomization (MR) analyses by exposure category and cancer group. Table S3. Grading of the evidence based on the sensitivity analysis by excluding the results from the MR-Egger test.
DOI: 10.6084/m9.figshare.24873970.v1
title: Supplementary Data S4 from Bare parts in the Galliformes: the evolution of a multifunctional structure

description: environmental variables
DOI: 10.6084/m9.figshare.21203286.v1
title: Additional file 1 of TNFAIP6 defines the MSC subpopulation with enhanced immune suppression activities

description: Additional file 1: Basic information of non-MSC samples.
DOI: 10.6084/m9.figshare.21203367.v1
title: Additional file 1 of Fine mapping of the gene controlling the weeping trait of Prunus persica and its uses for MAS in progenies

description: Additional file 1: Table S1. Candidate region of SNP_index.
DOI: 10.6084/m9.figshare.21203373
title: Additional file 3 of Fine mapping of the gene controlling the weeping trait of Prunus persica and its uses for MAS in progenies

description: Additional file 3: Table S3. Locus information of candidate gene.
DOI: 10.6084/m9.figshare.21203289.v1
title: Additional file 2 of TNFAIP6 defines the MSC subpopulation with enhanced immune suppression activities

description: Additional file 2: Basic information of MSC samples.
DOI: 10.6084/m9.figshare.21203295.v1
title: Additional file 4 of TNFAIP6 defines the MSC subpopulation with enhanced immune suppression activities

description: Additional file 4: Up-regulated genes in MSC vs non-MSC (FC &gt; 2).
DOI: 10.6084/m9.figshare.21203373.v1
title: Additional file 3 of Fine mapping of the gene controlling the weeping trait of Prunus persica and its uses for MAS in progenies

description: Additional file 3: Table S3. Locus information of candidate gene.
DOI: 10.6084/m9.figshare.21203298.v1
title: Additional file 5 of TNFAIP6 defines the MSC subpopulation with enhanced immune suppression activities

description: Additional file 5: Down-regulated genes in MSC vs non-MSC (FC &gt; -2).
DOI: 10.6084/m9.figshare.19106161.v1
title: Additional file 6 of Comparative metabolomic analysis reveals shared and unique chemical interactions in sponge holobionts

description: Additional file 5: Table S3. Sponge-derived natural products retrieved from the MarinLit database.
DOI: 10.6084/m9.figshare.7047620
title: MOESM1 of Downregulation of hypermethylated in cancer-1 by miR-4532 promotes adriamycin resistance in breast cancer cells

description: Additional file 1. Additional table.
DOI: 10.6084/m9.figshare.7047620.v1
title: MOESM1 of Downregulation of hypermethylated in cancer-1 by miR-4532 promotes adriamycin resistance in breast cancer cells

description: Additional file 1. Additional table.
DOI: 10.6084/m9.figshare.19106167
title: Additional file 8 of Comparative metabolomic analysis reveals shared and unique chemical interactions in sponge holobionts

description: Additional file 7: Appendix file 2. Relative abundance of MFs and differential abundance analysis results.
DOI: 10.6084/m9.figshare.14379605.v1
title: Additional file 4 of Behavioral sensitization induced by methamphetamine causes differential alterations in gene expression and histone acetylation of the prefrontal cortex in rats

description: Additional file 4: Table S4. The detailed information of top 10 KEGG pathway enrichment and the categorized differential expression genes in the group of METH-METH vs. NS-METH, METH-METH vs. NS-NS, and NS-METH vs. NS-NS.
DOI: 10.6084/m9.figshare.14379608.v1
title: Additional file 5 of Behavioral sensitization induced by methamphetamine causes differential alterations in gene expression and histone acetylation of the prefrontal cortex in rats

description: Additional file 5: Table S5. Raw data of ChIP-All peaks in METH-induced behavioral sensitization.
DOI: 10.6084/m9.figshare.7047938.v1
title: Multidrug-resistant bacterial infections in cirrhotic patients: an epidemiological study

description: <b>Background</b>: The purpose of this study is to describe the epidemiological features of bacterial infections caused by multidrug-resistant (MDR) bacteria in cirrhotic patients and their impact on mortality. <b>Methods</b>: A retrospective study of cirrhotic patients with culture-confirmed bacterial infections was performed between 2011 and 2017. <b>Results</b>: A total of 635 episodes in 563 patients with cirrhosis were included. Bacterial infections caused by MDR isolates accounted for 44.1% (280/635) of the episodes, nearly half of which were hospital acquired (48.4%). The most common MDR isolation site was the respiratory tract (36.4%, 102 episodes), followed by the abdominal cavity (35.4%, 99 episodes). Of the MDR isolates, carbapenem-resistant Enterobacteriaceae (CRE) (91 episodes) were the most common. Patients infected with MDR bacteria had significantly higher mortality than those not infected (25.1% vs 17.4%, <i>p</i> = 0.025). However, this increased mortality could be largely attributed to methicillin-resistant Staphylococcus aureus (MRSA). After adjustment for age, sex, and the model for end-stage liver disease (MELD) score, only MRSA infection was an independent risk factor for 28-day mortality in the multivariable Cox proportional hazard regression model analysis (HR, 2.964, 95% CI (1.175–7.478), <i>p</i> = 0.021). <b>Conclusions</b>: MDR bacterial infections, especially CRE, have become frequent in patients with cirrhosis in recent years, with MRSA infections significantly increasing short-term mortality.
DOI: 10.6084/m9.figshare.14912676
title: Long non-coding RNA LINC00511 regulates the expression of microRNA-625-5p and activates signal transducers and activators of transcription 3 (STAT3) to accelerate the progression of gastric cancer

description: This study aimed to investigate the expression, biological function, and downstream mechanism of LINC00511 in gastric cancer (GC). In paired GC samples, LINC00511, miR-625-5p and STAT3 mRNA expression levels were detected by quantitative real-time polymerase chain reaction (qRT-PCR); STAT3 protein expression was detected by immunohistochemical (IHC). The gain-of-function and loss-of-function models were established, and the proliferative and migrative ability of GC cells were measured by CCK-8 and transwell assays, respectively. The regulatory relationship between miR-625-5p and LINC00511 or STAT3 was examined by bioinformatics analysis, luciferase reporter gene assay, qRT-PCR, and western blot. We reported that LINC00511 and STAT3 expressions in GC tissues and cell lines were observably up-regulated, while miR-625-5p expression was inhibited. High expression of LINC00511 could facilitate the proliferation and promote the migration of GC cells. miR-625-5p was proved to be a downstream target of LINC00511, and LINC00511 could induce the expression of STAT3 by inhibiting the expression of miR-625-5p. Additionally, knockdown of LINC00511 suppressed the growth and lung metastases of CRC cells in nude mice. In conclusion, LINC00511 promotes the GC cell proliferation and migration via targeting the miR-625-5p/STAT3 axis, implying that LINC00511 can function as a target for GC therapy.
DOI: 10.6084/m9.figshare.24873961.v1
title: Supplementary Data S6 from Bare parts in the Galliformes: the evolution of a multifunctional structure

description: Ancestral State Reconstruction
DOI: 10.6084/m9.figshare.14912373.v2
title: RETRACTED ARTICLE: Hsa_circ_0008360 sponges miR-186-5p to target CCND2 to modulate high glucose-induced vascular endothelial dysfunction

description: We, the Editors and Publisher of the journal <i>Cell Cycle</i>, have retracted the following article: Qian-Qian Zhu, Xi-Bin Pu, Tian-Chi Chen, Chen-Yang Qiu, Zi-Heng Wu, Lu Tian, Yang-Yan He, Xiao-Hui Wang, Tao Shang, Xun Wang, Yi-Lang Xiang, Dong-Lin Li, and Hong-Kun Zhang. Hsa_circ_0008360 sponges miR-186-5p to target CCND2 to modulate high glucose-induced vascular endothelial dysfunction. Cell Cycle. 2021;20(14):1389-1401. doi: 10.1080/15384101.2021.1918877 Since publication, concerns have been raised about the integrity of the data in the article. When approached for an explanation, the authors have been unable to address all the concerns raised. As verifying the validity of published work is core to the integrity of the scholarly record, we are therefore retracting the article. The corresponding author listed in this publication has been informed. The authors do not agree with the retraction. We have been informed in our decision-making by our policy on publishing ethics and integrity and the COPE guidelines on retractions. The retracted article will remain online to maintain the scholarly record, but it will be digitally watermarked on each page as ‘Retracted’.
DOI: 10.6084/m9.figshare.21203367
title: Additional file 1 of Fine mapping of the gene controlling the weeping trait of Prunus persica and its uses for MAS in progenies

description: Additional file 1: Table S1. Candidate region of SNP_index.
DOI: 10.6084/m9.figshare.21203370.v1
title: Additional file 2 of Fine mapping of the gene controlling the weeping trait of Prunus persica and its uses for MAS in progenies

description: Additional file 2: Table S2. Genome-wide Delta_SNP_index.
DOI: 10.6084/m9.figshare.24873970.v2
title: Supplementary Data S4. environmental variables from Bare parts in the Galliformes: the evolution of a multifunctional structure

description: A morphological trait can have multiple functions shaped by varying selective forces. Bare parts in birds, such as wattles, casques and combs, are known to function in both signalling and thermoregulation. Studies have demonstrated such structures are targets of sexual selection via female choice in several species of Galliformes (junglefowl, turkeys and grouse), though other studies have shown some role in thermoregulation (guineafowl). Here, we tested fundamental hypotheses regarding the evolution and maintenance of bare parts in Galliformes. Using a phylogeny that included nearly 90% of species in the order, we evaluated the role of both sexual and natural selection in shaping the function of bare parts across different clades. We found a combination of both environmental and putative sexually selected traits strongly predicted the variation of bare parts for both males and females across Galliformes. When the analysis is restricted to the largest family, Phasianidae (pheasants, junglefowl and allies), sexually selected traits were the primary predictors of bare parts. Our results suggest that bare parts are important for both thermoregulation and sexual signalling across Galliformes but are primarily under strong sexual selection within the Phasianidae.
DOI: 10.17028/rd.lboro.12814784
title: Supplementary information files for Insights into ethanol electro-oxidation over solvated Pt(1 0 0): Origin of selectivity and kinetics revealed by DFT

description: Supplementary files for article Insights into ethanol electro-oxidation over solvated Pt(1 0 0): Origin of selectivity and kinetics revealed by DFT. The use of ethanol fuel in direct ethanol fuel cells has been hindered by the slow kinetics of anodic ethanol electro-oxidation reactions over Pt catalysts. We employ ab initio molecular dynamics simulations and thermodynamic integrations on the solvated Pt(1 0 0) model electrode surface with explicit water molecules, to systematically investigate the ethanol electrocatalytic oxidation mechanisms including partial oxidation to acetic acid and complete oxidation to CO2. We find that the ethanol decomposition rate does not limit the overall efficiency of the ethanol electro-oxidation reaction. However, the slow oxidation kinetics of surface intermediates to final products, due to the bonding between intermediates and the Pt surface being too strong, is the main obstacle. We suggest that weakening the surface affinity towards adsorption of the intermediates such as CO, for example by engineering the surface structures (e.g. via alloying), could improve the overall catalytic effeciency for ethanol electro-oxidation reaction.