bluuebunny/crossref_metadata_2025_split huggingface dataset:
Chemoenzymatic Synthesis of DSGb5 and Sialylated Globo‐series Glycans
Authors: Li Pei‐Jhen , Huang Szu‐Yu , Chiang Pei‐Yun , Fan Chen‐Yo , Guo Li‐Jhen , Wu Dung‐Yeh , Angata Takashi , Lin Chun‐Cheng 
Published: May 2019

AbstractSialic‐acid‐binding, immunoglobulin‐type lectin‐7 (Siglec‐7) is present on the surface of natural killer cells. Siglec‐7 shows preference for disialylated glycans, including α(2,8)‐α(2,3)‐disialic acids or internally branched α(2,6)‐NeuAc, such as disialosylglobopentaose (DSGb5). Herein, DSGb5 was synthesized by a one‐pot multiple enzyme method from Gb5 by α2,3‐sialylation (with PmST1) followed by α2,6‐sialylation (with Psp2,6ST) in 23 % overall yield. DSGb5 was also chemoenzymatically synthesized. The protection of the nonreducing‐end galactose of Gb5 as 3,4‐O‐acetonide, 3,4‐O‐benzylidene, and 4,6‐O‐benzylidene derivatives provided DSGb5 in overall yields of 26 %, 12 %, and 19 %, respectively. Gb3, Gb4, and Gb5 were enzymatically sialylated to afford a range of globo‐glycans. Surprisingly, DSGb5 shows a low affinity for Siglec‐7 in a glycan microarray binding affinity assay. Among the synthesized globo‐series glycans, α6α3DSGb4 shows the highest binding affinity for Siglec‐7.
Structure Optimisation of Large Transition‐Metal Complexes with Extended Tight‐Binding Methods
Authors: Bursch Markus , Neugebauer Hagen , Grimme Stefan 
Published: May 2019

AbstractLarge transition‐metal complexes are used in numerous areas of chemistry. Computer‐aided theoretical investigations of such complexes are limited by the sheer size of real systems often consisting of hundreds to thousands of atoms. Accordingly, the development and thorough evaluation of fast semi‐empirical quantum chemistry methods that are universally applicable to a large part of the periodic table is indispensable. Herein, we report on the capability of the recently developed GFNn‐xTB method family for full quantum‐mechanical geometry optimisation of medium to very large transition‐metal complexes and organometallic supramolecular structures. The results for a specially compiled benchmark set of 145 diverse closed‐shell transition‐metal complex structures for all metals up to Hg are presented. Further the GFNn‐xTB methods are tested on three established benchmark sets regarding reaction energies and barrier heights of organometallic reactions.
Unravelling the Complexities of Pseudocontact Shift Analysis in Lanthanide Coordination Complexes of Differing Symmetry
Authors: Harnden Alice C. , Suturina Elizaveta A. , Batsanov Andrei S. , Senanayake P. Kanthi , Fox Mark A. , Mason Kevin , Vonci Michele , McInnes Eric J. L. , Chilton Nicholas F. , Parker David 
Published: May 2019

AbstractIn two closely related series of eight‐coordinate lanthanide complexes, a switch in the sign of the dominant ligand field parameter and striking variations in the sign, amplitude and orientation of the main component of the magnetic susceptibility tensor as the Ln3+ ion is permuted conspire to mask modest changes in NMR paramagnetic shifts, but are evident in Yb EPR and Eu emission spectra.
Fusion with an albumin‐binding domain improves pharmacokinetics of an αvβ3‐integrin binding fibronectin scaffold protein
Authors: Gapizov S. Sh. , Petrovskaya L. E. , Shingarova L. N. , Kryukova E. A. , Boldyreva E. F. , Lukashev E. P. , Yakimov S. A. , Svirshchevskaya E. V. , Dolgikh D. A. , Kirpichnikov M. P. 
Published: May 2019

AbstractFusion with an albumin‐binding domain (ABD) of streptococcal protein G represents a popular approach for half‐life extension of small protein therapeutics in the organism. To increase the circulation time of engineered αvβ3‐integrin‐binding protein (JCL) based on the 10th human fibronectin type III domain (10Fn3), we have constructed several fusions with ABD with different orientations of the partner proteins and linker length. The recombinant proteins were expressed in Escherichia coli cells and purified by nickel‐affinity chromatography. All fusion proteins bound human serum albumin (HSA) in ELISA assay; however, fusions with longer linkers demonstrated better performance. Interaction of ABD‐L15‐JCL and JCL‐L14‐ABD with HSA was confirmed by analytical size exclusion chromatography and pull‐down assays. Surprisingly, the thermal stability of ABD‐L15‐JCL was dramatically decreased in comparison with JCL and JCL‐L14‐ABD proteins. Pharmacokinetic studies revealed that JCL‐L14‐ABD circulated in murine blood about 10 times longer than ABD‐L15‐JCL and 960 times longer than JCL. Biodistribution studies of JCL‐L14‐ABD in mice revealed its increased level in blood and a decreased accumulation in liver and kidneys in comparison with JCL. Obtained results demonstrate the utility of the fusion with ABD for half‐life extension of the binding proteins based on 10Fn3.
Altered amplitude of low‐frequency fluctuation in basal ganglia correlates to pulmonary ventilation function in COPD patients: A resting‐state fMRI study
Authors: Lu Chun‐Qiang , Xu Weiwei , Zeng Chu‐Hui , Ge Lu‐Yao , Wang Yuan‐Cheng , Meng Xiang‐Pan , Yu Qian , Wu Di , Ju Shenghong 
Published: May 2019

AbstractIntroductionPatients under chronic obstructive pulmonary disease (COPD) has been reported to be associated with a higher prevalence of cognitive impairment (CI). However, it is still largely unknown whether the aberrant resting‐state spontaneous neuronal activity pattern reflected by the amplitude of low‐frequency fluctuation (ALFF) analysis will be associated with the CI in COPD patients.MaterialsA total of 28 COPD patients and 26 healthy controls were enrolled in this study. Of all the subjects, structural and functional MRI data, spirometry tests performance and neuropsychological assessments of different cognitive domains were collected. Voxel‐based two‐sample t tests were used to detect brain regions showing differences in the ALFF value between COPD patients and healthy controls. An additional fMRI runs with supplementary oxygen delivery were employed to explore the impact of elevated partial pressure of oxygen (PaO2) or moderate hyperoxia on ALFF in COPD patients and healthy controls respectively.ResultsMore extensive white matter lesion was detected in COPD patients. COPD patients exhibit decreased ALFF value in bilateral basal ganglia areas and right thalamus, and aberrant ALFF value is correlated with PaO2 and pulmonary ventilation function (FEV1%pred). COPD patients performed worse in the Digit Span Test (reverse), Digit Symbol Substitution Test, Trail‐making test (A and B) than controls. After supplementary oxygen inhalation, the ALFF value of basal ganglia and right thalamus significantly increased in the controls, but not in the COPD patients.ConclusionsCOPD patients mainly exhibit impaired executive function but not long‐term memory in cognitive function assessment. Aberrant ALFF alteration in the deep brain may be directly related to lower PaO2 in COPD patients.
The molecular mechanism study of insulin on proliferation and differentiation of osteoblasts under high glucose conditions
Authors: Zhang Nong , Jiang Hua , Bai Yang , Lu Xingmei , Feng Mi , Guo Yu , Zhang Shuo , Luo Qiang , Wu Hao , Wang Lin 
Published: May 2019

To explore the molecular mechanism of insulin on proliferation and differentiation of MC3T3‐E1 cell under high glucose conditions. We first investigated the effect of different concentrations of insulin on the osteoblast cell proliferation and cell differentiation at various time points by MTT analysis, cell cycle analysis, and expression detection of differentiation genes. Then, we used 200 ng/mL of insulin to treat the osteoblast cell at different time points for identifying the common differentially expressed mRNAs among various time points by RNA sequencing. Thirdly, we performed the gene ontology (GO) and the Kyoto Encyclopaedia of Genes and Genomes (KEGG) analysis to explore the biological function of these common differentially expressed mRNAs. The results showed that insulin promoted the cell proliferation and differentiation of osteoblast cell. In RNA sequencing, a total of 31 common differentially expressed mRNAs were identified between different time points. Mt1, Tmem135, Avp, and Dlg2 were found to be associated with the new bone formation. In addition, three important signalling pathways, namely, lysosome, glutamatergic synapse, and chemokine signalling pathways, were found in the KEGG enrichment analysis. Our work demonstrated that insulin could promote the osteoblast cell proliferation and cell differentiation, which may play a key role in bone formation.Significance of the studyOur result showed that insulin could promote the proliferation and differentiation of osteoblast at both cellular and molecular levels, which may promote the new bone formation in the osteoblasts.
17‐β estradiol attenuates the pro‐oxidant activity of corticotropin‐releasing hormone in macroendothelial cells
Authors: Filiponi Maria , Gougoura Sofia G , Befani Christina , Bargiota Αlexandra , Liakos Panagiotis , Koukoulis George N 
Published: May 2019

AbstractCorticotropin‐releasing hormone, which is the predominant regulator of neuroendocrine responses to stress, attenuates inflammation through stimulation of glucocorticoid release. Enhanced corticotropin‐releasing hormone expression has been detected in inflammatory cells of the vascular endothelium, where it acts as a local regulator of endothelial redox homeostasis. Estrogens have beneficial effects on endothelial integrity and function, though the mechanism underlying their antioxidative effect remains as yet largely unknown. We therefore investigated the effect of 17β‐estradiol on pro‐oxidant action of corticotropin‐releasing hormone in vitro in macroendothelial cells, and, more specifically, the role of 17β‐estradiol on corticotropin‐releasing hormone‐induced activities/release of the antioxidant enzymes namely, endothelial nitric oxide synthase, superoxide dismutase, catalase, and glutathione. We observed that 17β‐estradiol abolished the stimulatory effect of corticotropin‐releasing hormone on intracellular reactive oxygen species levels and counteracted its inhibitory effect on endothelial nitric oxide synthase activity and nitric oxide release. In addition, 17β‐estradiol significantly induced superoxide dismutase and catalase activity, an effect that was not significantly influenced by corticotropin‐releasing hormone. Finally, 17β‐estradiol significantly increased glutathione levels and the glutathione/glutathione + glutathione disulfide ratio, an action that was partially blocked by corticotropin‐releasing hormone. Our results reveal that 17β‐estradiol counterbalances corticotropin‐releasing hormone‐mediated pro‐inflammatory action and thereby maintains the physiological threshold of the endothelial cell redox environment. These observations may be of importance, considering the protective role of estrogen in the development of atherosclerosis.
Novel use of a stent graft for uncontrollable intraprocedural stent thrombosis in a patient with acute myocardial infarction
Authors: Inoguchi Yasunori , Kaku Bunji , Kitagawa Naotaka , Katsuda Shoji 
Published: May 2019

AbstractWe report the case of a patient who developed uncontrollable intraprocedural stent thrombosis (IPST) during an emergent percutaneous coronary intervention for acute myocardial infarction that was mitigated only by covering the culprit lesion with a stent graft. Although several factors can induce stent thrombosis, IPST was likely a result of intrastent plaque protrusion in this patient. This is the first case report on the use of stent graft implantation as an effective bailout procedure for uncontrolled IPST. The findings described in this case study warrant the adoption of stent grafts for the complete sealing of plaque protrusion in lesions.
Fracture of small Mitroflow® aortic bioprosthesis following valve‐in‐valve transcatheter aortic valve replacement with ACURATE neo valve—From bench testing to clinical practice
Authors: Amat‐Santos Ignacio J. , Gutiérrez Hipólito , Sathananthan Janarthanan , Webb John G 
Published: May 2019

AbstractValve‐in‐valve (ViV) transcatheter procedures have emerged as a feasible, less‐invasive treatment option for bioprosthetic structural valve deterioration. However, in the presence of a small bioprosthesis, a significant residual gradient after ViV procedures often occurs and has been associated with poorer clinical outcomes. We report the use of the self‐expandable supra‐annular ACURATE neo™ valve to treat degenerated Mitroflow (Sorin) aortic bioprosthesis with severe residual elevated gradients followed by valve fracture with a postdilation using a noncompliant balloon leading to significant reduction in residual gradients. In conclusion, the use of ACURATE neo™ valve followed by the controlled fracture of the surgical bioprosthesis frame with a noncompliant balloon is a safe and effective approach for patients with Mitroflow® failing valves and residual elevated gradient after transcatheter aortic valve replacement.
Erythematous scaling lesions of the face, dorsal fingers, elbows, and knees together with symmetrical muscle weakness in a child
Authors: Markovic Aleksander , Schuster Volker , Simon Jan‐Christoph , Kunz Manfred 
Published: May 2019

AbstractJuvenile dermatomyositis shows characteristic skin lesions. However, this does not rule out co‐occurring other autoimmune diseases, which may be more prominent regarding skin manifestations. Co‐occurring other skin autoimmune diseases should not be regarded as a preclusion for dermatomyositis. Here, we present an impressing case of juvenile dermatomyositis with co‐occurring psoriasis.
Base‐Free Hydrogenation of Carbon Dioxide to Methyl Formate with a Molecular Ruthenium‐Phosphine Catalyst
Authors: Westhues Niklas , Belleflamme Maurice , Klankermayer Jürgen 
Published: May 2019

AbstractHerein, a molecular ruthenium‐phosphine catalyst system for the effective base‐free methyl formate production from carbon dioxide is described. In detail, the novel [Ru(N‐triphosCy)(tmm)] complex, bearing sterically demanding cyclohexyl groups in the triphos‐ligand structure, enabled in combination with the Lewis acid Al(OTf)3 the selective transformation of carbon dioxide to methyl formate with unprecedented activity. From a mechanistic perspective, in the initial step formic acid is formed, undergoing a consecutive Lewis acid promoted esterification with methanol to methyl formate. This selective transformation with carbon dioxide paves the way to versatile processes for important C1 building blocks.
Enhancing Metal Separations by Liquid–Liquid Extraction Using Polar Solvents
Authors: Li Zheng , Zhang Zidan , Smolders Simon , Li Xiaohua , Raiguel Stijn , Nies Erik , De Vos Dirk E. , Binnemans Koen 
Published: May 2019

AbstractThe less polar phase of liquid–liquid extraction systems has been studied extensively for improving metal separations; however, the role of the more polar phase has been overlooked for far too long. Herein, we investigate the extraction of metals from a variety of polar solvents and demonstrate that, the influence of polar solvents on metal extraction is so significant that extraction of many metals can be largely tuned, and the metal separations can be significantly enhanced by selecting suitable polar solvents. Furthermore, a mechanism on how the polar solvents affect metal extraction is proposed based on comprehensive characterizations. The method of using suitable polar solvents in liquid–liquid extraction paves a new and versatile way to enhance metal separations.
Alkali‐Metal Aminotroponiminates: Selectivities and Equilibria in Reversible Radical Coupling of Delocalized π‐Electron Systems
Authors: Hanft Anna , Krummenacher Ivo , Lichtenberg Crispin 
Published: May 2019

AbstractAminotroponiminates (ATIs) have recently been shown to belong to the growing class of redox‐active ligands. The choice of the metal center allowed to switch between reversible electron transfer (M=Rh) and reductively induced dimerization (M=Na). Here, we investigate if the reductively induced dimerization of ATIs is a more general phenomenon for their alkali‐metal complexes. Lithium ATI complexes are shown to undergo reductively induced dimerizations, which are equilibrium reactions and chemically reversible. The choice of the metal center (Li vs. Na), the substitution pattern at the nitrogen atoms of the ATI ligands, and the solvent critically influence the regioselectivity and diastereoselectivity of the radical‐dimerization reactions. Potassium ATIs are shown to be susceptible to side reactions, more specifically a reduction accompanied by hydrogen‐atom transfer. Products and intermediates of the reductively induced dimerizations were characterized by techniques including NMR and EPR spectroscopy, cyclic voltammetry, DFT calculations, single‐crystal X‐ray diffraction, and mass spectrometry.
Combined Scaffold Evaluation and Systems‐Level Transcriptome‐Based Analysis for Accelerated Lead Optimization Reveals Ribosomal Targeting Spirooxindole Cyclopropanes
Authors: Rodriguez Kevin X. , Howe Erin N. , Bacher Emily P. , Burnette Miranda , Meloche Jennifer L. , Meisel Jayda , Schnepp Patricia , Tan Xuejuan , Chang Mayland , Zartman Jeremiah , Zhang Siyuan , Ashfeld Brandon L. 
Published: May 2019

AbstractWith evolutionary drug resistance impacting efforts to treat disease, the need for small molecules that exhibit novel molecular mechanisms of action is paramount. In this study, we combined scaffold‐directed synthesis with a hybrid experimental and transcriptome analysis to identify bis‐spirooxindole cyclopropanes that inhibit cancer cell proliferation through disruption of ribosomal function. These findings demonstrate the value of an integrated, biologically inspired synthesis and assay strategy for the accelerated identification of first‐in‐class cancer therapeutic candidates.
Stock price forecasting model based on modified convolution neural network and financial time series analysis
Authors: Cao Jiasheng , Wang Jinghan 
Published: May 2019

SummaryTo forecast the future trend of financial activities through its rules, a convolutional neural network (CNN) is used to forecast stock index. Firstly, a CNN stock index prediction model is constructed, the structural parameter relationship of the CNN model is analyzed, and a CNN model algorithm is implemented. Secondly, the influence of model parameters on prediction results is discussed, and the stock index prediction model based on CNN‐support vector machine (SVM) is established. At last, the empirical analysis is made, and the results show that the two prediction models are feasible and effective. It is concluded that the use of neural networks for financial prediction can deal with the continuous and categorical prediction variables and obtain good prediction results.
Enzymatic assay for urine lactose in the assessment of recent intravenous abuse of buprenorphine
Authors: Keltanen Terhi N. , Heikman Pertti K. , Muhonen Leea H. , Gunnar Teemu O. , Ojanperä Ilkka A. 
Published: May 2019

AbstractLaboratory methods for differentiating intravenous substance abuse from medical oral or sublingual use are lacking. The disaccharides lactose and sucrose are common excipients in both medical preparations and illicit drugs. If substances are abused intravenously, the disaccharides are excreted unchanged in urine. This study evaluated whether urine lactose indicates recent intravenous abuse of substances with special reference to buprenorphine (BPN). Samples were attained from 21 patients in assessment for opioid maintenance treatment (OMT) and from 29 patients already enrolled in OMT. Patients were divided in two groups. Group 1 patients reported intravenous abuse of BPN within 48 hours and Group 2 more than 48 hours since the last injection. The urine samples were assayed for lactose using an enzymatic method. To verify intravenous abuse, examination of needle marks and mass spectrometric analysis of abused substances was performed. Urine lactose concentration was significantly higher in Group 1 (86 mg/L) than in Group 2 (24 mg/L). All samples with lactose concentration more than 140 mg/L were given by the Group 1 patients, who all had recent injection marks. A significant inverse correlation was found between the time from last injection and the urine lactose concentration within the 48‐hour post‐injection period. Elevated lactose concentrations in urine could indicate intravenous abuse of substances containing lactose. The co‐occurrence of higher than 140 mg/L of lactose in urine by means of enzymatic assay verified by fresh puncture sites is a potential indicator of recent intravenous abuse of BPN.
Ferulic acid improves self‐renewal and differentiation of human tendon‐derived stem cells by upregulating early growth response 1 through hypoxia
Authors: Qiu Shuo , Sun Yunchu , Xu Jia , Wen Gen , Yu Yaling , Wu Tianyi , Chai Yimin 
Published: May 2019

SummaryWe aimed to investigate the potential beneficial effect of ferulic acid (FA) on stemness of human tendon‐derived stem cells (hTSCs) in vitro and to elucidate the underlying molecular mechanism. The self‐renewal ability of hTSCs was evaluated by colony formation and cell proliferation was determined by CCK‐8 kit. Adipogenesis, osteogenesis, and chondrogenesis were determined by Oil Red O, Alizarin Red, and Alcian Blue stainings, respectively. Relative mRNA levels of PPARγ, Col2A1, Acan, Runx2, HIF1α, and EGR1 were measured with real‐time PCR. Protein levels of HIF1α and EGR1 were detected by western blot. Direct binding of HIF1α with EGR1 promoter was analyzed by ChIP assay. Hypoxia‐induced expression of EGR1 was interrogated by luciferase reporter assay. We demonstrated that FA treatment improved both self‐renewal ability and multi‐differentiation potential of hTSCs. FA induced hypoxia which in turn upregulated EGR1 expression via direct association with its hypoxia response element consensus sequence. Furthermore, we showed that both HIF1α and EGR1 were required for the enhancing effects of FA on hTSC self‐renewal and differentiation. We hereby characterize the beneficial effect of FA on the stemness of hTSCs and highlight the critical role of HIF1α‐EGR1 axis in this process.