bluuebunny/crossref_metadata_2025_split huggingface dataset:
Optimizing Hydrogen Binding on Ru Sites with RuCo Alloy Nanosheets for Efficient Alkaline Hydrogen Evolution
Authors: Cai Chao , Liu Kang , Zhu Yuanmin , Li Pengcheng , Wang Qiyou , Liu Bao , Chen Shanyong , Li Huangjingwei , Zhu Li , Li Hongmei , Fu Junwei , Chen Yu , Pensa Evangelina , Hu Junhua , Lu Ying‐Rui , Chan Ting‐Shan , Cortés Emiliano , Liu Min 
Published: November 2021

AbstractRuthenium (Ru)‐based catalysts, with considerable performance and desirable cost, are becoming highly interesting candidates to replace platinum (Pt) in the alkaline hydrogen evolution reaction (HER). The hydrogen binding at Ru sites (Ru−H) is an important factor limiting the HER activity. Herein, density functional theory (DFT) simulations show that the essence of Ru−H binding energy is the strong interaction between the
orbital of Ru and the 1s orbital of H. The charge transfer between Ru sites and substrates (Co and Ni) causes the appropriate downward shift of the
‐band center of Ru, which results in a Gibbs free energy of 0.022 eV for H* in the RuCo system, much lower than the 0.133 eV in the pure Ru system. This theoretical prediction has been experimentally confirmed using RuCo alloy‐nanosheets (RuCo ANSs). They were prepared via a fast co‐precipitation method followed with a mild electrochemical reduction. Structure characterizations reveal that the Ru atoms are embedded into the Co substrate as isolated active sites with a planar symmetric and Z‐direction asymmetric coordination structure, obtaining an optimal
modulated electronic structure. Hydrogen sensor and temperature program desorption (TPD) tests demonstrate the enhanced Ru−H interactions in RuCo ANSs compared to those in pure Ru nanoparticles. As a result, the RuCo ANSs reach an ultra‐low overpotential of 10 mV at 10 mA cm−2 and a Tafel slope of 20.6 mV dec−1 in 1 M KOH, outperforming that of the commercial Pt/C. This holistic work provides a new insight to promote alkaline HER by optimizing the metal‐H binding energy of active sites.
Dükerung des Hafenkanals in Duisburg
Authors: Engelke Nils , Hente Jonas , Ebers‐Ernst Jeannette 
Published: November 2021

AbstractAls Teilmaßnahme des Infrastrukturprojekts „Erneuerung des OB‐Karl‐Lehr‐Brückenzugs, 2. Bauabschnitt“ in Duisburg wird seit 2019 die Dükerung und Leitungsumverlegung unter dem Hafenkanal als vorgezogene Maßnahme durchgeführt. Der im gesteuerten Rohrvortrieb über eine Strecke von 220 m hergestellte Düker wird zukünftig alle derzeit mit den Brückenbauwerken überführten Versorgungsleitungen aufnehmen und damit einen beschleunigten Bauablauf für den Ersatzneubau des Brückenzugs ermöglichen. Neben dem eigentlichen Rohrvortrieb stellten die sehr tiefen Baugruben von ca. 30 m eine Herausforderung für die Planung und die Ausführung dar. Der vorliegende Beitrag erläutert den Werdegang und die technischen Aspekte der Planung und gibt Einblicke in die bauliche Umsetzung der Spezialtiefbaumaßnahme. Darüber hinaus wird kompakt über das Gesamtprojekt und den aktuell laufenden Ersatzneubau der Ruhr‐ und Hafenkanalbrücke informiert.
New Insights into Tolytoxin Effect in Human Cancer Cells: Apoptosis Induction and the Relevance of Hydroxyl Substitution of Its Macrolide Cycle on Compound Potency
Authors: Delawská Kateřina , Divoká Petra , Sedlák David , Kuzma Marek , Saurav Kumar , Macho Markéta , Steinbach Gabor , Hrouzek Pavel 
Published: November 2021

AbstractScytophycins, including tolytoxin, represent a class of actin disrupting macrolides with strong antiproliferative effects on human cells. Despite intense research, little attention has been paid to scytophycin‐induced cell death or the structural features affecting its potency. We show that tolytoxin and its natural analogue, 7‐O‐methylscytophycin B, lacking the hydroxyl substitution in its macrolactone ring, differ substantially in their cytotoxic effect. Both compounds increase the level of caspases 3/7, which are the main executioner proteases during apoptosis, in HeLa wild‐type (WT) cells. However, no caspase activity was detected in HeLa cells lacking Bax/Bak proteins crucial for caspase activation via the mitochondrial pathway. Obtained data strongly suggests that scytophycins are capable of inducing mitochondria‐dependent apoptosis. These findings encourage further research in structure‐activity relationships in scytophycins and highlight the potential of these compounds in targeted drug delivery.
Deep Sequencing of a Systematic Peptide Library Reveals Conformationally‐Constrained Protein Interface Peptides that Disrupt a Protein‐Protein Interaction
Authors: Boragine David M. , Huang Wanzhi , Su Lynn H. , Palzkill Timothy 
Published: November 2021

AbstractDisrupting protein‐protein interactions is difficult due to the large and flat interaction surfaces of the binding partners. The BLIP and BLIP‐II proteins are unrelated in sequence and structure and yet each potently inhibit β‐lactamases. High‐throughput oligonucleotide synthesis was used to construct a 12,470‐member library containing overlapping linear and cyclic peptides ranging in size from 6 to 21 amino acids that scan through the sequences of BLIP and BLIP‐II. Phage display affinity selections and deep sequencing revealed that, despite the differences in interaction surfaces with β‐lactamases, rapid enrichment of consensus peptide regions originating from both BLIP and BLIP‐II contact residues in the binding interface occurred. BLIP and BLIP‐II peptides that were enriched by affinity selection were shown to bind β‐lactamases and disrupt the BLIP/β‐lactamase interaction. The results suggest that peptides that bind at and disrupt PPI interfaces can be identified through systematic peptide library construction, affinity selection, and deep sequencing.
Naphthalene Exchange in [Re(η6‐napht)2]+ with Pharmaceuticals Leads to Highly Functionalized Sandwich Complexes [M(η6‐pharm)2]+ (M=Re/99mTc)
Authors: Nadeem Qaisar , Battistin Federica , Blacque Olivier , Alberto Roger 
Published: November 2021

AbstractBis‐arene sandwich complexes are generally prepared by the Fischer‐Hafner reaction, which conditions are incompatible with most O‐ and N‐ functional groups. We report a new way for the synthesis of sandwich type complexes [Re(η6‐arene)2]+ and [Re(η6‐arene)(η6‐benzene)]+ from [Re(η6‐napht)2]+ and [Re(η6‐napht)(η6‐benzene)]+, with functionalized arenes and pharmaceuticals. N‐methylpyrrolidine (NMP) facilitates the substitution of naphthalene with the incoming arene. A series of fully characterized rhenium sandwich complexes with simple arenes, such as aniline, as well as with active compounds like lidocaine and melatonin are presented. With these rhenium compounds in hand, the radioactive sandwich complexes [99mTc(η6‐pharm)2]+ (pharm=pharmaceutical) can be unambiguously confirmed. The direct labelling of pharmaceuticals with 99mTc through η6‐coordination to phenyl rings and the confirmation of the structures with the rhenium homologues opens a path into molecular theranostics.
Development of microglia in fetal and postnatal neocortex of the pig, the European wild boar (Sus scrofa)
Authors: Sobierajski Eric , Lauer German , Aktas Meriyem , Beemelmans Christa , Beemelmans Christoph , Meyer Gundela , Wahle Petra 
Published: November 2021

AbstractKnowledge on cortical development is based mainly on rodents besides primates and carnivores, all being altricial. Here, we analyzed a precocial animal, the pig, looking at dorsoparietal cortex from E45 to P90. At E45, most ionized calcium‐binding adapter molecule 1‐positive (Iba1+) cells had a macrophage‐like morphology and resided in meninges and choroid plexus. Only a few cells were scattered in the ventricular and subventricular zone (VZ and SVZ). At E60/E70, all laminar compartments displayed microglia cells at a low‐to‐moderate density, being highest in VZ and SVZ followed by intermediate zone/white matter (IZ/WM). The cortical plate and marginal zone displayed only a few Iba1+ cells. Cells were intensely labeled, but still had poorly arborized somata and many resembled ameboid, macrophage‐like microglia. Concurrent with a massive increase in cortical volume, microglia cell density increased until E85, and further until E100/E110 (birth at E114) to densities that resemble those seen postnatally. A fraction of microglia colabeled with Ki67 suggesting proliferation in all laminar compartments. Cell‐to‐cell distance decreased substantially during this time, and the fraction of microglia to all nuclei and to neurons increases in the laminar compartments. Eventually, of all cortical DAPI+ nuclei 7–12% were Iba1+ microglia. From E70 onwards, more and more cells with ramified processes were present in MZ down to IZ/WM, showing, for instance, a close association with NeuN+, NPY+, and GAD65/67+ somata and axon initial segments. These results suggested that the development of microglia cell density and morphology proceeds rapidly from mid‐gestation onwards reaching near‐adult status already before birth.
Theoretical Screening of Transition Metal Doped Defective MoS2 as Efficient Electrocatalyst for CO Conversion to CH4
Authors: Zheng Guokui , Gong Shun , Tian Ziqi , Wang Hui , Zhang Qiuju 
Published: November 2021

AbstractCO is a key intermediate during electrochemical CO2 conversion. The deep reduction of CO to value‐added chemical products is a crucial strategy for effective carbon utilization. Single transition metal atoms supported by two‐dimensional material present a novel paragon for various catalytic reactions. Herein, we employ first principle theory to study a series of single 3d‐transition metal atoms supported by monolayered MoS2 with S vacancy as efficient electrocatalyst for CO electroreduction to CH4. The screening result indicates that Cr doped defective MoS2 (labeled as Cr/Sv‐MoS2) is beneficial to electroreduction of CO to CH4, with even less negative limiting potential (−0.32 V) than Cu that has been widely studied as the most promising electrocatalyst in experiment. The outstanding activity is derived from the regulation of the d‐band‐center of doped Cr and Mo atoms exposed on the surface. This discovery provides a theoretical basis for the preparation of future electrocatalysts for CORR.
Disorder of three‐dimensional chromosome structure plays a role in carcinogenesis
Authors: Zhang Linlin , Liu Fangming , Wu Lihong , Fu Suolan , Xing Leilei , Zhang Lianghui , Wang Xiangdong , Wang Yong‐Xiao 
Published: November 2021

AbstractThe three‐dimensional structure of chromatin is an essential part of gene expression and regulation. Modules far apart in the one‐dimensional DNA sequence can be close to each other in 3D and activated by spatially folding. Normal gene activation requires such long‐distance interactions. However, the formation of faulty structures of chromosomes can lead to disorders of genetic function, such as cancer. With the development of three‐dimensional (3D) capture techniques, chromatin disorders associated with cancer are gaining attention. In this review, we combined several studies on the 3D genome, regulation and progress of gene expression and involvement of 3D chromatin variation in the development of cancer. We will discuss the possibility and potential value of using the 3D genome as a new target in the clinical diagnosis and treatment of cancer. In a word, high‐order chromatin architecture can provide a new perspective for the study of oncogenic alterations.
Multiple esophageal hematomas with oozing observed and successfully treated after transcatheter mitral valve edge‐to‐edge repair procedure
Authors: Shirai Yasuyuki , Kinoshita Yoshihiro , Koumoto Tatsuya , Kawano Michitaka , Ogoshi Ayako , Harada Katsunori , Isotani Akihiro , Shirai Shinichi , Ando Kenji , Yoshida Tomoharu 
Published: November 2021

AbstractAlthough previously reported as relatively rare, esophageal hematoma can likely develop in patients on anticoagulants or those with underlying hemorrhagic disorders. From April 2018 to December 2018, among 36 patients who received transcatheter mitral valve edge‐to‐edge repair (TMVr) at our hospital, seven (19.4%), who were suspected of having digestive tract hemorrhage evidenced by blood stains on a probe extracted after transesophageal echocardiography, underwent esophagogastroduodenoscopy. Esophageal hematomas were noted in all patients, and endoscopic hemostasis was performed in two cases. Depending on their form, hematomas were noted on the submucosa and the epithelium of the shallow esophageal layer. Esophageal hematomas caused by transesophageal echocardiography for TMVr are not rare, and clinicians should be aware of it.
Effect of lncRNA H19 on nerve degeneration and regeneration after sciatic nerve injury in rats
Authors: Li Yuting , Cai Min , Feng Yumei , Yung Bryant , Wang Yi , Gao Nannan , Xu Xi , Zhang Huanhuan , Huang Huiwei , Yao Dengbing 
Published: November 2021

AbstractHundreds of millions of people worldwide suffer from peripheral nerve damage resulting from car accidents, falls, industrial accidents, residential accidents, and wars. The purpose of our study was to further investigate the effects of Wallerian degeneration (WD) after rat sciatic nerve injury and to screen for critical long noncoding RNAs (lncRNAs) in WD. We found H19 to be essential for nerve degeneration and regeneration and to be highly expressed in the sciatic nerves of rats with WD. lncRNA H19 potentially impaired the recovery of sciatic nerve function in rats. H19 was mainly localized in the cytoplasm of Schwann cells (SCs) and promoted their migration. H19 promoted the apoptosis of dorsal root ganglion (DRG) neurons and slowed the growth of DRG axons. The lncRNA H19 may play a role in WD through the Wnt/β‐catenin signaling pathway and is coexpressed with a variety of crucial mRNAs during WD. These data provide further insight into the molecular mechanisms of WD.
Focal impaired awareness seizures in a rodent model: A functional anatomy
Authors: Adotevi Nadia , Kapur Jaideep 
Published: November 2021

AbstractObjectivePatients with temporal lobe epilepsy (TLE) frequently report debilitating comorbidities such as memory impairments, anxiety, and depression. An extensive neuronal network generates epileptic seizures and associated comorbidities, but a detailed description of this network is unavailable, which requires the generation of neuronal activation maps in experimental animals.MethodsWe recorded electrographic seizures from the hippocampi during a kindling‐evoked focal impaired awareness seizure with observed freezing, facial twitching, and involuntary head bobbing. We mapped seizure circuits activated during these seizures by permanently tagging neurons through activity‐induced immediate early genes, combined with immunohistochemical approaches.ResultsThere was bilateral activation of circuits necessary for memory consolidation, including the hippocampal complex, entorhinal cortex, cingulate gyrus, retrosplenial cortex, piriform cortex, and septohippocampal complex in kindled animals compared with unstimulated awake behaving mice. Neuronal circuits in the ventral hippocampus, amygdala, and anterior cingulate cortex, which regulate the stress response of hypothalamic‐pituitary‐adrenal axis, were also markedly activated during a focal impaired awareness seizure.SignificanceThis study highlights neuronal circuits preferentially activated during a focal awareness impaired seizure in a rodent model. Many of the seizure‐activated neuronal circuits are critical modulators of memory consolidation and long‐term stress/depression response. The hijack of these memory and depression regulatory systems by a focal seizure could account for the frequent reports of comorbidities such as memory impairment and depression in many TLE patients.
Organ‐Specific Comorbidities Are Associated With Distinct Complications After Liver Transplantation for Biliary Atresia
Authors: Taylor Sarah A. , Venkat Veena , Arnon Ronen , Gopalareddy Vani V. , Rosenthal Philip , Anderson Sarah G. , Anand Ravinder , Daniel James F. ,   Society of Pediatric Liver Transplantation
Published: November 2021

Although transplant outcomes for biliary atresia (BA) have improved, there are few data to predict the risk of specific posttransplant complications. We therefore defined the impact of comorbidities in BA on posttransplant outcomes. Patients enrolled in the Society of Pediatric Liver Transplantation registry from 2011 to 2019 (n = 1034) were grouped by comorbidities of >1.0% incidence: any supplemental feeding, dialysis, other abdominal surgery (not Kasai portoenterostomy [KPE]), hepatopulmonary syndrome, and cardiac disease requiring intervention. Demographic and outcome data were compared using the Kruskal‐Wallis, chi‐square, and log‐rank tests. Cox proportional hazards models and binary logistic regression were performed for modeling. Patients with BA with comorbidities comprised 77% (n = 799) of our cohort and had evidence of greater medical acuity, including higher calculated Pediatric End‐Stage Liver Disease scores and hospitalizations in the intensive care unit before transplant (P < 0.001 for both) versus those without comorbidities. After transplant, patients with BA with comorbidities had more graft loss (P = 0.02), longer initial hospitalization and intubation (P < 0.001 for both), and increased rates of reoperation (P = 0.001) and culture‐proven infection (P < 0.001) within 30 days after transplant. Only patients with BA with comorbidities on supplemental feed had increased rates of patient death (P = 0.02). Multivariate analysis identified lower z weight and higher creatinine as risk factors for graft and patient loss in patients with BA with comorbidities. Prior KPE was protective against culture‐proven infection and vascular complications within 30 and 90 days, respectively. Patients with BA with comorbidities have evidence of higher medical acuity at transplant and reduced graft survival; however, they overall did not experience greater incidence of patient death. Our data provide organ‐system–specific data to risk‐stratify patients with BA and posttransplant outcomes.
Possible EIF2AK2‐Associated Stress‐Related Neurological Decompensation with Combined Dystonia and Striatal Lesions
Authors: Waller Sophie E. , Morales‐Briceño Hugo , Williams Laura , Mohammad Shekeeb S. , Fellner Avi , Kumar Kishore R. , Tchan Michel , Fung Victor S.C. 
Published: November 2021

AbstractBackgroundVariants in EIF2AK2 have been recently associated with a spectrum of neurological disease encompassing isolated dystonia to fever‐related neurological decompensation, movement disorders and leukodystrophy.CaseA 32‐year old patient presented with childhood‐onset episodes of neurological decompensation after febrile illness, progressive anarthria, dystonia and spasticity. The T2/FLAIR MRI showed bilateral posterolateral putamen hyperintensities and white matter changes suggestive of leukodystrophy. Initial extensive metabolic workup and whole genome sequencing (WGS) was unremarkable. Re‐analysis of the WGS data revealed a variant in exon 3 of the EIF2AK2 gene [(NM_001135651.3): c.92C > G (p.Pro31Arg)].EIF2AK2‐associated disorders should be incorporated into the differential diagnosis of the syndrome of fever‐related neurological decompensation with movement disorders, especially in the presence of abnormal neuroimaging.Literature reviewDisease‐causing variants in EIF2AK2 have been reported in 24 individuals from 16 families in the literature to date. Two broad phenotypes have been described, including: (1) childhood‐onset generalized dystonia and a normal brain MRI; and (2) early childhood‐onset developmental delay combined with movement disorders, spasticity, and seizures in some. Notably, 92% of these patients have neurological deterioration after febrile illness or other physiological stress. Hypomyelination or delayed myelination and thin corpus callosum are seen in most patients and lower medullary lessions are common. Basal ganglia lesions have been reported previously in one case.ConclusionsEIF2AK2‐associated disorders should be incorporated into the differential diagnosis of the syndrome of fever‐related neurological decompensation with movement disorders, especially in the presence of abnormal neuroimaging.
Ex Vivo Fecal Fermentation of Human Ileal Fluid Collected After Wild Strawberry Consumption Modulates Human Microbiome Community Structure and Metabolic Output and Protects Against DNA Damage in Colonic Epithelial Cells
Authors: Diotallevi Camilla , Fontana Massimiliano , Latimer Cheryl , Ternan Nigel G. , Pourshahidi L. Kirsty , Lawther Roger , O'Connor Gloria , Conterno Lorenza , Gasperotti Mattia , Angeli Andrea , Lotti Cesare , Bianchi Martina , Vrhovsek Urska , Fava Francesca , Gobbetti Marco , Gill Chris I. R. , Tuohy Kieran M. 
Published: November 2021

ScopeWild strawberries (Fragaria vesca) are richer in (poly)phenols than common commercial strawberry varieties, e.g., Fragaria × ananassa. (Poly)phenols and their microbiota‐derived metabolites are hypothesized to exert bioactivity within the human gut mucosa. To address this, the effects of wild strawberries are investigated with respect to their bioactivity and microbiota‐modulating capacity using both in vitro and ex vivo approaches.Methods and ResultsIleal fluids collected pre‐ (0h) and post‐consumption (8h) of 225 g wild strawberries by ileostomates (n = 5) and also in vitro digested strawberry varieties (Fragaria vesca and Fragaria × ananassa Duchesne) supernatants are collected. Subsequent fermentation of these supernatants using an in vitro batch culture proximal colon model reveals significant treatment‐specific changes in microbiome community structure in terms of alpha but not beta diversity at 24 h. Nutri‐kinetic analysis reveals a significant increase in the concentration of gut microbiota catabolites, including 3‐(4hydroxyphenyl)propionic acid, 3‐(3‐hydroxyphenyl)propanoic acid, and benzoic acid. Furthermore, post‐berry ileal fermentates (24 h) significantly (p < 0.01) decrease DNA damage (% Tail DNA, COMET assay) in both HT29 cells (∼45%) and CCD 841 CoN cells (∼25%) compared to untreated controls.ConclusionsPost berry consumption fermentates exhibit increased overall levels of (poly)phenolic metabolites, which retains their bioactivity, reducing DNA damage in colonocytes.
VF‐4 and DR‐8 Derived from Salted Egg White Inhibit Inflammatory Activity via NF‐κB/PI3K‐Akt/MAPK Signal Transduction Pathways in HT‐29 Cells Induced by TNF‐α
Authors: Zhou Na , Yao Yao , Wu Na , Du Huaying , Xu Mingsheng , Zhao Yan , Tu Yonggang 
Published: November 2021

ScopeInflammation is the pathological basis of many chronic diseases, and persistent intestinal inflammation is a key factor in the further development of colon cancer. Egg‐derived peptides have been proven to have anti‐intestinal inflammation activity. Egg white treated with salt contains a lot of rich protein, whether its peptides have anti‐inflammatory activity and how their mechanism of action is still unclear.Methods and ResultsIn this study, ELISA is used to determine the anti‐inflammatory activity of the peptides (VF‐4 and DR‐8 from salted egg white), and then RNA‐seq is used to explore the mechanism of their anti‐inflammatory activity, and then verified by western blotting and inhibitors. The results show that VF‐4 and DR‐8 significantly inhibit TNF‐α‐induced IL‐8 secretion in HT‐29 cells in a concentration‐dependent manner, and VF‐4 show a more significant anti‐inflammatory effect than DR‐8. The anti‐inflammatory mechanism of VF‐4 and DR‐8 is through inhibiting the activation of Nuclear factor kappa B (NF‐κB), mitogen‐activated protein kinase (MAPK), and phosphatidylinositol 3' ‐kinase(PI3K)‐Akt pathways, reducing the production of inflammatory mediators.ConclusionVF‐4 and DR‐8 have obvious anti‐inflammatory activity, which can reduce intestinal inflammation and inhibit its further development into colon cancer.