bluuebunny/crossref_metadata_2025_split huggingface dataset:
Positionspapier „Beton ohne Steinkohlenflugasche“
Authors: Voland Katja , Westendarp Andreas 
Published: February 2021

AbstractAufgrund des schrittweisen Ausstiegs aus der Kohleverstromung stehen bereits heute deutlich geringere Mengen an in Deutschland produzierten Steinkohlenflugaschen zur Verfügung. Spätestens im Jahr 2038 wird ihr Anteil auf null fallen. Der Deutsche Beton‐ und Bautechnik‐Verein E.V. (DBV) sowie die Bundesanstalt für Wasserbau (BAW) verfolgen mit diesem Positionspapier das Ziel, alle am Bau Beteiligten über die daraus resultierenden Lieferengpässe von Steinkohlenflugasche zu informieren und Verständnis dafür zu schaffen. Zudem zeigen sie in diesem Papier erste Lösungsansätze auf, um die negativen Auswirkungen auf die Betonbauweise weitestgehend zu minimieren.
Development of cell‐based high throughput luminescence assay for drug discovery in inhibiting OCT4/DNA‐PKcs and OCT4–MK2 interactions
Authors: Mohiuddin Ismail S. , Wei Sung‐Jen , Yang In‐Hyoung , Martinez Gloria M. , Yang Shengping , Cho Eun J. , Dalby Kevin N. , Kang Min H. 
Published: February 2021

AbstractAmplification‐independent c‐MYC overexpression is suggested in multiple cancers. Targeting c‐MYC activity has therapeutic potential, but efforts thus far have been mostly unsuccessful. To find a druggable target to modulate c‐MYC activity in cancer, we identified two kinases, MAPKAPK2 (MK2) and the DNA‐dependent protein kinase catalytic subunit (DNA‐PKcs), which phosphorylate the Ser111 and the Ser93 residues of OCT4, respectively, to transcriptionally activate c‐MYC. Using these observations, we present here a novel cell‐based luminescence assay to identify compounds that inhibit the interaction between these kinases and OCT4. After screening approximately 80,000 compounds, we identified 56 compounds (“hits”) that inhibited the luminescence reaction between DNA‐PKcs and OCT4, and 65 hits inhibiting the MK2–OCT4 interaction. Using custom antibodies specific for pOCT4S93 and pOCT4S111, the “hits” were validated for their effect on OCT4 phosphorylation and activation. Using a two‐step method for validation, we identified two candidate compounds from the DNA‐PKcs assay and three from the MK2 assay. All five compounds demonstrate a significant ability to kill cancer cells in the nanomolar range. In conclusion, we developed a cell‐based luminescence assay to identify novel inhibitors targeting c‐MYC transcriptional activation, and have found five compounds that may function as lead compounds for further development.
The role of interindividual licking received and dopamine genotype on later‐life licking provisioning in female rat offspring
Authors: Lauby Samantha C. , Ashbrook David G. , Malik Hannan R. , Chatterjee Diptendu , Pan Pauline , Fleming Alison S. , McGowan Patrick O. 
Published: February 2021

AbstractIntroductionRat mothers exhibit natural variations in care that propagate between generations of female offspring. However, there is limited information on genetic variation that could influence this propagation.MethodsWe assessed early‐life maternal care received by individual female rat offspring, later‐life maternal care provisioning, and dopaminergic activity in the maternal brain in relation to naturally occurring genetic polymorphisms linked to the dopaminergic system. We also conducted a systematic analysis of other genetic variants potentially related to maternal behavior in our Long‐Evans rat population.ResultsWhile we did not find a direct relationship between early‐life licking received and later‐life licking provisioning, this relationship was indirectly affected by dopamine levels in the nucleus accumbens and dependent on variation in the dopamine receptor 2 gene (rs107017253). More specifically, female rat offspring with the A/G genotype showed a positive relationship between average licking received and dopamine levels in the nucleus accumbens of the maternal brain; there was no relationship with female rat offspring with the A/A genotype. The higher dopamine levels in the nucleus accumbens corresponded with higher maternal licking provisioning from postnatal days 2–9. We also discovered and validated several new variants that were predicted by our systematic analysis.ConclusionOur findings suggest that genetic variation influences the relationship between early‐life maternal care received and the dopaminergic system of the maternal brain, which can indirectly influence later‐life maternal care provisioning.
WTAP facilitates progression of endometrial cancer via CAV‐1/NF‐κB axis
Authors: Li Qin , Wang Chenyu , Dong Wei , Su Yi , Ma Zhao 
Published: February 2021

AbstractThe N6‐methyladenosine (m6A) modification is one of the most prevalent methylations in eukaryotic messenger RNA (mRNA), and it is essential for the development of many important biological processes such as multiple types of tumors. One of the most important enzymes catalyzing generation of m6A on mRNA is Wilms' tumor 1‐associating protein (WTAP); however, the potential role of WTAP in endometrial cancer (EC) still remains unknown. Here, we investigated WTAP expression level in cancer tissue and paracancerous tissue from an EC patient. Subsequently, WTAP was knocked down by small interfering RNA in EC cell line of Ishikawa and HEC‐1A, respectively. Cell proliferation, migration, and invasion were studied. The expression of caveolin‐1 (CAV‐1) was detected by quantitative polymerase chain reaction (qPCR). The enrichments of m6A and METTL3 on CAV‐1 were detected using RNA immunoprecipitation‐qPCR. The activity of nuclear factor‐κB (NF‐κB) was studied using Western blot. We observed that WTAP was dramatically upregulated in the cancer tissue, and there was an enhancement in cell proliferation, migration, and invasion and a decrease in EC apoptosis in vivo and in vitro, which indicated higher tumor malignancy and worse survival outcome. After WTAP was knocked down in EC cells, CAV‐1 was significantly upregulated and the enrichments of m6A and METTL3 at 3′‐untranslated region (UTR) region of CAV‐1 were decreased. Moreover, the activity of NF‐κB signaling pathway was inhibited by its regulator CAV‐1. Taken together, we concluded that WTAP could methylate 3′‐UTR of CAV‐1 and downregulate CAV‐1 expression to activate NF‐κB signaling pathway in EC, which promoted EC progression.
Pericardial release for early LVAD malalignment a less invasive approach
Authors: Jeng Eric I. , Ghannam Alexander D. , Ahmed Mustafa M. 
Published: February 2021

AbstractIn a previously well‐functioning LVAD, pericardial release via thoracotomy may improve inflow angle and correct malpositioning to ultimately restore LVAD function and patient hemodynamics. To prevent this, we recommend that implantations include a longitudinal pericardiotomy and anchoring sutures.
Gastric pull‐up with laryngeal preservation of the primary synovial sarcoma of the esophagus: A case report
Authors: Ahmadi Aslan , Firouzabadi Mohammad Dehghani , Sanaei Ayda , Ghanbari Hadi , Roomiani Maryam 
Published: February 2021

AbstractIn patients who require a gastric pull‐up, despite bilateral injury to the vocal cords and regurgitation, preservation of the larynx can improve their quality of life.
Carbon Cloth Supported Nitrogen Doped Porous Carbon Wrapped Co Nanoparticles for Effective Overall Water Splitting
Authors: Zhu Jun , Shen Xiaoping , Yue Xiaoyang , Fan Chen , Kong Lirong , Ji Zhenyuan , Zhu Guoxing , Xu Keqiang , Zhou Hu 
Published: February 2021

AbstractThe key to the practical application of overall water splitting is to develop high‐efficient non‐noble metal electrocatalysts. Herein, carbon cloth supported N‐doped porous carbon wrapped Co nanoparticles (CC@Co‐NPC) are constructed with high bifunctional catalytic activity toward oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) in alkaline medium. Benefiting from the exposure of abundant Co active sites, and the synergistic effect between Co particles and N‐doped carbon species, the CC@Co‐NPC delivers small overpotentials of 286 and 340 mV at 100 mA cm−2 with Tafel values of 59 and 97 mV dec−1 towards OER and HER, respectively. Remarkably, when coupled as CC@Co‐NPC||CC@Co‐NPC cell, only a small voltage of 1.49 V is required to achieve 10 mA cm−2, making CC@Co‐NPC a potential bifunctional catalyst for overall water splitting.
Insights into the Voltammetry of Cavity Microelectrodes Filled with Metal Powders: The Value of Square Wave Voltammetry
Authors: Torralba Encarnación , Laborda Eduardo , Molina Angela , Cachet‐Vivier Christine , Bastide Stéphane 
Published: February 2021

AbstractCavity microelectrodes (CMEs) offer a valuable platform to evaluate the electrocatalytic performance of micro‐ and nanoparticulate materials. The technical factors and physicochemical processes affecting the electrochemical response at CMEs are to be recognized; specifically, the accessibility of redox species to the electrocatalyst surface. With this aim, the voltammetric response of CMEs is investigated through a joint experimental and theoretical approach including a comparative study of cyclic and square wave voltammetry (SWV). Experiments reveal a capacitive distortion of the response that increases with the powder surface area, but with a faradaic response analogous to that of recessed or inlaid microdisks, that is, with electrochemical reactions occurring essentially on the first layer of the powder load. We show that SWV is well suited to discriminate faradaic processes at CMEs and we present accurate mathematical expressions to describe it. These results provide guidelines for the design and analysis of CME voltammetric measurements.
Multifunctional roles of carbon‐based hosts for Li‐metal anodes: A review
Authors: Yan Xiaolin , Lin Liang , Chen Qiulin , Xie Qingshui , Qu Baihua , Wang Laisen , Peng Dong‐Liang 
Published: February 2021

AbstractWith its high theoretical capacity, lithium (Li) metal is recognized as the most potential anode for realizing a high‐performance energy storage system. A series of questions (severe safety hazard, low Coulombic efficiency, short lifetime, etc.) induced by uncontrollable dendrites growth, unstable solid electrolyte interface layer, and large volume change, make practical application of Li‐metal anodes still a threshold. Due to their highly appealing properties, carbon‐based materials as hosts to composite with Li metal have been passionately investigated for improving the performance of Li‐metal batteries. This review displays an overview of the critical role of carbon‐based hosts for improving the comprehensive performance of Li‐metal anodes. Based on correlated mainstream models, the main failure mechanism of Li‐metal anodes is introduced. The advantages and strategies of carbon‐based hosts to address the corresponding challenges are generalized. The unique function, existing limitation, and recent research progress of key carbon‐based host materials for Li‐metal anodes are reviewed. Finally, a conclusion and an outlook for future research of carbon‐based hosts are presented. This review is dedicated to summarizing the advances of carbon‐based materials hosts in recent years and providing a reference for the further development of carbon‐based hosts for advanced Li‐metal anodes.
Directed Assembly of Multi‐Walled Nanotubes and Nanoribbons of Amino Acid Amphiphiles Using a Layer‐by‐Layer Approach
Authors: Siegl Kathrin , Kolik‐Shmuel Luba , Zhang Mingming , Prévost Sylvain , Vishnia Kalanit , Mor Amram , Appavou Marie‐Sousai , Jafta Charl J. , Danino Dganit , Gradzielski Michael 
Published: February 2021

AbstractMonodisperse unilamellar nanotubes (NTs) and nanoribbons (NRs) were transformed to multilamellar NRs and NTs in a well‐defined fashion. This was done by using a step‐wise approach in which self‐assembled cationic amino acid amphiphile (AAA) formed the initial NTs or NRs, and added polyanion produced an intermediate coating. Successive addition of cationic AAA formed a covering AAA layer, and by repeating this layer‐by‐layer (LBL) procedure, multi‐walled nanotubes (mwNTs) and nanoribbons were formed. This process was structurally investigated by combining small‐angle neutron scattering (SANS) and cryogenic‐transmission electron microscopy (cryo‐TEM), confirming the multilamellar structure and the precise layer spacing. In this way the controlled formation of multi‐walled suprastructures was demonstrated in a simple and reproducible fashion, which allowed to control the charge on the surface of these 1D aggregates. This pathway to 1D colloidal materials is interesting for applications in life science and creating well‐defined building blocks in nanotechnology.
Sulfur Tetrahydride and Allied Superhydride Clusters: When Resonance Takes Precedence
Authors: Weinhold Frank 
Published: February 2021

AbstractSulfur offers a variety of bonding surprises compared to the parent oxygen atom of the chalcogen family. In the present work, we employ standard quantum chemistry methods to characterize formation of previously unrecognized sulfur tetrahydride (C4v‐symmetric SH4) from hydrogen sulfide (H2S) and molecular hydrogen (H2) on the ground state potential energy surface. The unusual intramolecular interactions of SH4 defy Lewis‐like bonding conceptions, exhibiting the dominance of resonance‐type donor‐acceptor delocalizations well beyond those of SF4 (C2v sawhorse geometry) and other known tetrahalides. The distressed character of SH4 bonding also leads to exotic intermolecular structural motifs in clusters of pure (SH4)n and mixed (SH4⋅⋅⋅H2S)n composition. We evaluate structural, spectroscopic, and electronic properties for various 2D/3D coordination patterns and discuss how (SH4⋅⋅⋅H2S)n‐type building blocks may relate to recent experimental studies of superconductivity in high‐pressure materials of “SH3” stoichiometry.
Conformational Dependence of Triplet Energies in Rotationally Hindered N‐ and S‐Heterocyclic Dimers: New Design and Measurement Rules for High Triplet Energy OLED Host Materials
Authors: Wright Iain A. , Danos Andrew , Montanaro Stephanie , Batsanov Andrei S. , Monkman Andrew P. , Bryce Martin R. 
Published: February 2021

AbstractA series of four heterocyclic dimers has been synthesized, with twisted geometries imposed across the central linking bond by ortho‐alkoxy chains. These include two isomeric bicarbazoles, a bis(dibenzothiophene‐S,S‐dioxide) and a bis(thioxanthene‐S,S‐dioxide). Spectroscopic and electrochemical methods, supported by density functional theory, have given detailed insights into how para‐ vs. meta‐ vs. broken conjugation, and electron‐rich vs. electron‐poor heterocycles impact the HOMO–LUMO gap and singlet and triplet energies. Crucially for applications as OLED hosts, the triplet energy (ET) of these molecules was found to vary significantly between dilute polymer films and neat films, related to conformational demands of the molecules in the solid state. One of the bicarbazole species shows a variation in ET of 0.24 eV in the different media—sufficiently large to “make‐or‐break” an OLED device—with similar discrepancies found between neat films and frozen solution measurements of other previously reported OLED hosts. From consolidated optical and optoelectronic investigations of different host/dopant combinations, we identify that only the lower ET values measured in neat films give a reliable indicator of host/guest compatibility. This work also provides new molecular design rules for obtaining very high ET materials and controlling their HOMO and LUMO energies.
A Guide to Directing Group Removal: 8‐Aminoquinoline
Authors: Fitzgerald Liam S. , O'Duill Miriam L. 
Published: February 2021

AbstractThe use of directing groups allows high levels of selectivity to be achieved in transition metal‐catalyzed transformations. Efficient removal of these auxiliaries after successful functionalization, however, can be very challenging. This review provides a critical overview of strategies used for removal of Daugulis’ 8‐aminoquinoline (2005–2020), one of the most widely used N,N‐bidentate directing groups. The limitations of these strategies are discussed and alternative approaches are suggested for challenging substrates. Our aim is to provide a comprehensive end‐users’ guide for chemists in academia and industry who want to harness the synthetic power of directing groups—and be able to remove them from their final products.
Catechol‐Coordinated Framework Film‐based Micro‐Supercapacitors with AC Line Filtering Performance
Authors: Yu Tianliang , Wang Youfu , Jiang Kaiyue , Zhai Guangqun , Ke Changchun , Zhang Jichao , Li Jiantong , Tranca Diana , Kymakis Emmanuel , Zhuang Xiaodong 
Published: February 2021

AbstractCoordination polymer frameworks (CPFs) have broad applications due to their excellent features, including stable structure, intrinsic porosity, and others. However, preparation of thin‐film CPFs for energy storage and conversion remains a challenge because of poor compatibility between conductive substrates and CPFs and crucial conditions for thin‐film preparation. In this work, a CPF film was prepared by the coordination of the anisotropic four‐armed ligand and CuII at the liquid–liquid interface. Such film‐based micro‐supercapacitors (MSCs) are fabricated through high‐energy scribing and electrolytes soaking. As‐fabricated MSCs displayed high volumetric specific capacitance of 121.45 F cm−3. Besides, the volumetric energy density of MSCs reached 52.6 mWh cm−3, which exceeds the electrochemical performance of most reported CPF‐based MSCs. Especially, the device exhibited alternating current (AC) line filtering performance (−84.2° at 120 Hz) and a short resistance capacitance (RC) constant of 0.08 ms. This work not only provides a new CPF for MSCs with AC line filtering performance but also paves the way for thin‐film CPFs preparation with versatile applications.
Fluorogenic Squaraine Dendrimers for Background‐Free Imaging of Integrin Receptors in Cancer Cells
Authors: Ashokkumar Pichandi , Collot Mayeul , Klymchenko Andrey S. 
Published: February 2021

AbstractTo overcome the limited brightness of existing fluorogenic molecular probes for biomolecular targets, we introduce a concept of fluorogenic dendrimer probe, which undergoes polarity‐dependent switching due to intramolecular aggregation‐caused quenching of its fluorophores. Based on a rational design of dendrimers with four and eight squaraine dyes, we found that octamer bearing dyes through a sufficiently long PEG(8) linker displays >400‐fold fluorescence enhancement from water to non‐polar dioxane. High extinction coefficient (≈2,300,000 m−1 cm−1) resulted from eight squaraine dyes and quantum yield (≈25 %) make this octamer the brightest environment‐sensitive fluorogenic molecule reported to date. Its conjugate with cyclic RGD used at low concentration (3 nm) enables integrin‐specific fluorescence imaging of cancer cells with high signal‐to‐background ratio. The developed dendrimer probe is a “golden middle” between molecular probes and nanoparticles, combining small size, turn‐on response and high brightness, important for bioimaging.
A Luminescent Two‐Coordinate AuIBimetallic Complex with a Tandem‐Carbene Structure: A Molecular Design for the Enhancement of TADF Radiative Decay Rate
Authors: Li Tian‐yi , Shlian Daniel G. , Djurovich Peter I. , Thompson Mark E. 
Published: February 2021

AbstractA luminescent bimetallic AuIcomplex comprised ofN‐heterocyclic carbene (NHC) and carbazole (Cz) ligands, that is, (NHC’)Au(NHC)AuCz has been synthesized and studied. Both carbene ligands in the bimetallic complex act as electron acceptors in tandem to increase the energy separation between the ground and excited state, which is higher than those found in either monometallic analogue, (NHC)AuCz and (NHC’)AuCz. A coplanar geometry designed into the tandem complex ensures sufficient electronic coupling between the π‐orbitals of the ligands to impart a strong oscillator strength to the singlet intra‐ligand charge‐transfer (1ICT) transition. Theoretical modelling indicates that the emissive ICT excited state involves both NHC ligands. The tandem complex gives blue luminescence (λmax=480 nm) with a high photoluminescent quantum yield (ΦPL=0.80) with a short decay lifetime (τ=0.52 μs). Temperature‐dependent photophysical studies indicate that emission is via thermally assisted delayed fluorescence (TADF) and give a small singlet‐triplet energy difference (ΔEST=50 meV, 400 cm−1) consistent with the short TADF lifetime.
A predictive model using left atrial function and B‐type natriuretic peptide level in predicting the recurrence of early persistent atrial fibrillation after radiofrequency ablation
Authors: Yang Zhenni , Xu Min , Zhang Chuxu , Liu Huannian , Shao Xiaoliang , Wang Yuetao , Yang Ling , Yang Junhua 
Published: February 2021

AbstractAimA predictive model using left atrial function indexes obtained by real‐time three‐dimensional echocardiography (RT‐3DE) and the blood B‐type natriuretic peptide (BNP) level was constructed, and its value in predicting recurrence in patients with early persistent atrial fibrillation (AF) after radiofrequency ablation was explored.MethodsA total of 228 patients with early persistent AF who were scheduled to receive the first circular pulmonary vein ablation (CPVA) were enrolled. Clinical data of patients were collected: (1) The blood BNP level was measured before radiofrequency ablation; (2) RT‐3DE was used to obtain the left atrial (LA) time‐volume curve; (3) The clinical characteristics, BNP level and LA function parameters were compared, and logistic regression was used to construct a prediction model with combined parameters; (4) The receiver operating characteristic (ROC) curve was used to examine the diagnostic efficacy of the model.Results(1) 215 patients with early persistent AF completed CPVA and the follow‐up. After 3–6 months of follow‐up, the patients were divided into sinus rhythm group (160 cases) and recurrence group (55 cases); (2) The recurrence group showed higher minimum LA volume index, diastolic ejection index, and preoperative BNP (all p ≤ .001), while the sinus rhythm group exhibited higher expansion index (PI) and left atrial appendage peak emptying velocity (p ≤ .001); (3) In univariate analysis, BNP level had the best diagnostic performance in predicting the recurrence of AF(AUC = 0.703). We constructed a model based on LA function and BNP level to predict the recurrence of persistent AF after CPVA. This combined model was better than BNP alone in predicting the recurrence of persistent AF after CPVA (AUC: 0.814 vs. 0.703, z = 2.224, p = .026).ConclusionThe combined model of LA function and blood BNP level has good predictive value for the recurrence of early persistent AF after CPVA.