bluuebunny/crossref_metadata_2025_split huggingface dataset:
Normatives vs. realistisches Lüftungsverhalten
Authors: Hartner Marco , Carrigan Svenja , Kornadt Oliver , Lachmann Moritz 
Published: June 2021

AbstractDas Nutzerverhalten kann eine große Diskrepanz zwischen errechnetem Energiebedarf und tatsächlichem Energieverbrauch von Gebäuden bewirken. Dabei hat sich im Rahmen eines von der Forschungsinitiative Zukunft Bau geförderten Projekts die Raumsolltemperatur als größter Einflussfaktor herausgestellt. Aufbauend auf diesen Ergebnissen wurde hier untersucht, welchen Einfluss unterschiedliche Lüftungsstrategien auf den Energiebedarf haben. Hierzu wurden für ein Untersuchungsobjekt unterschiedliche Lüftungsprofile, welche unterschiedliche Anwesenheitszeiten im Gebäude widerspiegeln, bei stundenveränderlichen Außenklimabedingungen in einem thermischen Gebäudesimulationsprogramm nachgebildet und mit den Norm‐konformen Berechnungen verglichen. Es hat sich gezeigt, dass sich durch die Stoßlüftung, im Vergleich zur normativ angenommenen dauerhaften Lüftung, eine erhebliche Einsparung der Nutzwärmeenergie ergibt, die Anzahl der Lüftungsvorgänge aber eine untergeordnete Rolle spielt. Der Vergleich mit den Messungen des Energieverbrauchs im Gebäude zeigt, dass die Nutzungsprofile mit realistischem Lüftungsverhalten hierzu eine deutlich kleinere Diskrepanz als das Norm‐konforme Nutzungsprofil aufweisen.
Using primary teeth and archived dried spots for exposomic studies in children: Exploring new paths in the environmental epidemiology of pediatric cancer
Authors: Lupo Philip J. , Petrick Lauren M. , Hoang Thanh T. , Janitz Amanda E. , Marcotte Erin L. , Schraw Jeremy M. , Arora Manish , Scheurer Michael E. 
Published: June 2021

AbstractIt is estimated that 300,000 children 0–14 years of age are diagnosed with cancer worldwide each year. While the absolute risk of cancer in children is low, it is the leading cause of death due to disease in children in high‐income countries. In spite of this, the etiologies of pediatric cancer are largely unknown. Environmental exposures have long been thought to play an etiologic role. However, to date, there are few well‐established environmental risk factors for pediatric malignancies, likely due to technical barriers in collecting biological samples prospectively in pediatric populations for direct measurements. In this review, we propose the use of novel or underutilized biospecimens (dried blood spots and teeth) and molecular approaches for exposure assessment (epigenetics, metabolomics, and somatic mutational profiles). Future epidemiologic studies of pediatric cancer should incorporate novel exposure assessment methodologies, data on molecular features of tumors, and a more complete assessment of gene‐environment interactions.
alpha‐Tocopherol supplementation reduces inflammation and apoptosis in high cholesterol mediated nonalcoholic steatohepatitis
Authors: Demirel‐Yalciner Tugce , Sozen Erdi , Ozaltin Esra , Sahin Ali , Ozer Nesrin Kartal 
Published: June 2021

AbstractInflammation and apoptosis signaling are crucial steps in the progression from nonalcoholic fatty liver disease (NAFLD) to nonalcoholic steatohepatitis (NASH). Alpha‐tocopherol, the most active form of vitamin E, is an important modulator of signaling mechanisms, but its involvement to cholesterol‐induced NASH pathogenesis remains poorly defined. Herein we have reported a novel effect of α‐tocopherol in the transition from hepatic steatosis to NASH. High cholesterol diet alone (without α‐tocopherol) in rabbits elevated NASH development as indicated by increased inflammatory response, apoptotic activity and liver fibrosis. Such elevation results from induction of signaling mechanisms since the expressions of IL1β, phospho c‐Jun/c‐Jun ratio, JNK, caspase 9, CHOP and Bax were increased, and recruitment of macrophage, α‐smooth muscle actin (α‐SMA) and COL1A1 into the liver tissue were induced. Alpha‐tocopherol supplementation inhibited inflammatory response, apoptosis and fibrosis development without affecting lipid accumulation in high cholesterol‐induced NASH. Specifically, α‐tocopherol lowered the inflammatory level as observed by reduced macrophage infiltration and JNK/c‐Jun signaling. Lower inflammatory status co‐occurred with the reduction of CHOP and Bax expressions as well as fibrosis‐related COL1A1 and α‐SMA levels. Taken together, α‐tocopherol supplementation inhibits cholesterol‐induced NASH development by lowering JNK/c‐Jun/inflammation axis in addition to JNK/CHOP/apoptosis signaling, which might contribute to resistance against NAFLD/NASH transition.
Pyrrolidinyl peptide nucleic acids bearing hydroxy‐modified cyclobutane building blocks: Synthesis and binding properties
Authors: Ditmangklo Boonsong , Sittiwong Wantanee , Boddaert Thomas , Vilaivan Tirayut , Aitken David J. 
Published: June 2021

AbstractThe conformationally constrained pyrrolidinyl PNA with a dipeptide consisting of an alternating nucleobase‐modified D‐proline and a cyclic β‐amino acid “spacer” exhibited improved nucleic acid binding properties compared to the original PNA. The pyrrolidinyl PNA with the four‐membered ring spacer (1S,2S)‐2‐aminocyclobutanecarboxylic acid (acbcPNA) are among the best performed members of the pyrrolidinyl PNA family. However, these PNA suffer some limitations such as aqueous solubility and non‐specific interactions due to their extreme hydrophobicity. In the present work, a hydroxy group is introduced onto the cyclobutane ring spacer of the acbcPNA with the aim of decreasing its hydrophobicity. To this end, a Fmoc/tBu ether‐protected 4‐hydroxy‐2‐aminocyclobutanecarboxylic acid building block was synthesized and resolved by chiral HPLC. Each enantiomer was used to synthesize the hydroxy‐modified acbcPNA employing Fmoc solid‐phase peptide synthesis. DNA/RNA binding studies indicated that the introduction of the hydroxy group to the acbcPNA decreases the binding affinity toward complementary DNA and RNA while maintaining the sequence and directional specificity of unmodified acbcPNA. The hydrophobicity of the hydroxy‐modified acbcPNA decreased with the number of hydroxy groups added as indicated by the decrease in the logP values. Only two modifications were sufficient to decrease the logP by an order of magnitude without excessively lowering the binding affinity nor the specificity. This work thus demonstrated that the specific structural modifications for this type of PNA model can be performed in a modular fashion, which paves the way toward the future realization of improving hydrophilicity and nucleic acid binding affinity as well as specificity.
Isorhapontigenin ameliorates cerebral ischemia/reperfusion injury via modulating Kinase Cε/Nrf2/HO‐1 signaling pathway
Authors: Xue Zhe , Zhao Kai , Sun Zhenghui , Wu Chen , Yu Bowen , Kong Dongsheng , Xu Bainan 
Published: June 2021

AbstractBackgroundIsorhapontigenin (ISO) has been shown to have antioxidant activity. This study aimed to investigate the antioxidant effects of ISO on cerebral ischemia/reperfusion (I/R) injury and its possible molecular mechanisms.MethodsFocal cerebral ischemia‐reperfusion injury (MCAO/R) model and primary cortical neurons were established an oxygen‐glucose deprivation (OGD / R) injury model. After 24 hr of reperfusion, the neurological deficits of the rats were analyzed and HE staining was performed, and the infarct volume was calculated by TTC staining. In addition, the reactive oxygen species (ROS) in rat brain tissue, the content of 4‐Hydroxynonenal (4‐HNE), and 8‐hydroxy2deoxyguanosine (8‐OHdG) were detected. Neuronal cell viability was determined by MTT assay. Western blot analysis was determined for protein expression.ResultsISO treatment significantly improved neurological scores, reduced infarct volume, necrotic neurons, ROS production, 4‐HNE, and 8‐OHdG levels. At the same time, ISO significantly increased the expression of Nrf2 and HO‐1. The neuroprotective effects of ISO can be eliminated by knocking down Nrf2 and HO‐1. In addition, knockdown of the PKCε blocked ISO‐induced nuclear Nfr2, HO‐1 expression.ConclusionISO protected against oxidative damage induced by brain I/R, and its neuroprotective mechanism may be related to the PKCε/Nrf2/HO‐1 pathway.
Resting‐state functional connectivity in patients with a complex PTSD or complex dissociative disorder before and after inpatient trauma treatment
Authors: Schlumpf Yolanda R. , Nijenhuis Ellert R. S. , Klein Carina , Jäncke Lutz , Bachmann Silke 
Published: June 2021

AbstractIntroductionRecent research suggests that traumatized patients are characterized by disrupted resting‐state functional connectivity. We examined whether neural networks involved in resting‐state change over the course of a phase‐oriented inpatient treatment for complex traumatized and dissociative disorder patients. We also investigated associations between these network alterations and clinical symptoms and emotion regulation skills.MethodsPre‐ and post‐treatment, electroencephalography (EEG) was recorded during resting‐state in patients (n = 23) with a complex dissociative disorder (CDD) or complex posttraumatic stress disorder (cPTSD). Patients also completed clinical and emotion regulation questionnaires. To reduce variance in the collected data, patients were exclusively tested as one prototypical dissociative part referred to as Apparently Normal Part (ANP). Functional network connectivity was examined and compared with a matched healthy control group (n = 37), also measured twice.ResultsPrior to treatment and compared with controls, patients had a significantly lower functional connectivity strength within eyes‐open and eyes‐closed resting‐state networks in the theta and alpha frequency band. Following treatment, functional connectivity strength within these networks was comparable to the control group and comprised areas belonging to the default mode network (DMN) and prefrontal as well as anterior cingulate control regions. Treatment‐related network normalizations in the theta frequency band were associated with a self‐reported increase in the use of cognitive reappraisal strategies and reduction in emotion regulation difficulties.ConclusionPhase‐oriented trauma treatment can strengthen resting‐state network connectivity and can increase the capacity of complex traumatized and dissociative patients as ANP to handle emotional challenges effectively.
A qualitative analysis of factors influencing antiretroviral adherence among persons living with HIV in Ghana
Authors: Abdulai Martha Ali , Mevissen Fraukje E. F. , Ruiter Robert A. C. , Owusu‐Agyei Seth , Asante Kwaku Poku , Bos Arjan E. R. 
Published: June 2021

AbstractAdherence to antiretroviral therapy (ART) remains an important factor in HIV prevention and treatment efforts. We explored the individual and environmental factors influencing antiretroviral adherence among PLWH in Ghana. This study used 20 semi‐structured in‐depth interviews and three focus group discussions (FGD) involving 29 PLWH attending one of three antiretroviral clinics. Thematic analysis covered experiences of PLWH clinic visits, knowledge, attitudes, self‐efficacy related to ART adherence, psychological wellbeing and stigma. The findings suggest that both individual and environmental factors including treatment outcome, coping skills, disclosure, self‐regulation, healthcare‐provider interaction, family and partner support, organization of ART clinics, stigma, and transportation cost influenced treatment adherence. Interventions that empower PLWH and reduce HIV‐related stigma in the community will most likely support antiretroviral adherence. Please refer to the Supplementary Material section to find this article's Community and Social Impact Statement.
The continuing promise of the radial access for coronary interventions
Authors: Rahman Faisal , Jneid Hani 
Published: June 2021

Key Points
The radial artery access for coronary angiography and percutaneous coronary intervention is associated with reduced bleeding, vascular complications, and all‐cause mortality compared with the femoral artery access.
The radial artery access is not associated with a higher risk of stroke or myocardial infarction.
The consistent use of the radial approach and intravascular imaging‐guidance for femoral access, when needed, are likely to continue to reduce the risk of complications in the cardiac catheterization laboratory.
Editorial Comments for: “Transcatheter valve‐in‐valve implantation versus surgical redo aortic root replacement in patients with degenerated freestyle aortic bioprosthesis”
Authors: Costello Briana T. , Krajcer Zvonimir 
Published: June 2021

Key Points
Valve‐in‐valve (ViV) TAVR continues to gain clinical utility across the spectrum of bioprosthesis failure.
Outcomes of ViV TAVR have repeatedly proved to be acceptable, especially in in patients with higher STS scores.
Ongoing outcome evaluation of ViV TAVR will identify which surgical prostheses, as well as which patient risk profiles, are best suited for ViV TAVR. Procedural technique and prosthesis choices can be tailored pending ongoing research.
Post‐dilation in ST‐elevation MI patients makes sense anatomically, but does it improve physiology?
Authors: Kern Morton J. , Seto Arnold H. 
Published: June 2021

Key Points
High pressure post‐dilatation (PD) increases stent area which should reduce restenosis and malapposition rates.
This study indicates that PD in STEMI patients increases stent area, increases FFR, but decreases IMR in only 50% of patients with a net neutral effect on IMR and coronary flow reserve.
Future studies may identify which patients are likely to have improved microvascular physiology from PD.
Electrochemical Immunomagnetic Ochratoxin A Sensing: Steps Forward in the Application of 3,3’,5,5’‐Tetramethylbenzidine in Amperometric Assays
Authors: Höfs Soraya , Hülagü Deniz , Bennet Francesca , Carl Peter , Flemig Sabine , Schmid Thomas , Schenk Jörg A. , Hodoroaba Vasile‐Dan , Schneider Rudolf J. 
Published: June 2021

AbstractElectrochemical methods offer great promise in meeting the demand for user‐friendly on‐site devices for monitoring important parameters. The food industry often runs own lab procedures, for example, for mycotoxin analysis, but it is a major goal to simplify analysis, linking analytical methods with smart technologies. Enzyme‐linked immunosorbent assays, with photometric detection of 3,3’,5,5’‐tetramethylbenzidine (TMB), form a good basis for sensitive detection. To provide a straightforward approach for the miniaturization of the detection step, we have studied the pitfalls of the electrochemical TMB detection. By cyclic voltammetry it was found that the TMB electrochemistry is strongly dependent on the pH and the electrode material. A stable electrode response to TMB could be achieved at pH 1 on gold electrodes. We created a smartphone‐based, electrochemical, immunomagnetic assay for the detection of ochratoxin A in real samples, providing a solid basis for sensing of further analytes.
Nonpolar Solvent‐based Electrolytes with a Quasi‐Solid‐State Redox Reaction for Lithium‐Sulfur Batteries
Authors: Yang Hong Sun , Kim Dong‐Min , Kim Youngjin , Lee Young Joo , Lee Kyu Tae 
Published: June 2021

AbstractLi−S batteries are one of the most promising next‐generation batteries because of their high theoretical energy density and abundance of active material sulfur reducing the cost. However, conventional ether‐based electrolytes suffer from active material loss due to side reactions between dissolved polysulfides and Li metal anode, and consequential shuttle phenomenon. Herein, a promising concept of nonpolar solvent‐based electrolytes consisting of nonpolar solvent of 1,4‐difluorobenzene, lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) salt, and chelating agent for Li+ cations, such as 15‐crown‐5 or 1,3‐dioxolane, is introduced to suppress the dissolution of polar polysulfides. Nonpolar electrolytes show a distinctive reaction mechanism that involved a quasi‐solid‐state redox reaction, compared to conventional ether‐based electrolytes. The discharge and charge process of nonpolar electrolytes include phase transitions with sparingly soluble and insoluble polysulfides. As a result, nonpolar solvent‐based electrolytes show excellent electrochemical performance, such as stable capacity retention and Coulombic efficiency of 93.1 % after 100 cycles at 30 °C.
Nitrogen and Phosphate Co‐doped Graphene as Efficient Bifunctional Electrocatalysts by Precursor Modulation Strategy for Oxygen Reduction and Evolution Reactions
Authors: Zhang Xiaoran , Zhang Xiao , Xiang Xue , Pan Can , Meng Qinghao , Hao Chao , Qun Tian Zhi , Kang Shen Pei , Ping Jiang San 
Published: June 2021

AbstractHeteroatoms doped carbon‐based metal‐free catalysts are important candidates as alternatives for precious group metal (PGM) catalysts for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) – two of the most important reactions in electrochemical energy conversion and storage areas. Despite the significant efforts in developing heteroatoms doped metal‐free electrocatalysts with enhanced electrocatalytic activity, few studies focus on their bifunctional activities for ORR and OER due to the unclear catalytic mechanism and complicated active sites configurations. Herein, a series of nitrogen and phosphate co‐doped carbon‐based catalysts (NP/C) are successfully synthesized via a precursor modulation strategy. In this method, 5‐aminouracil, 2, 6‐diaminopyridine and 1, 3‐diaminobenzene are selected to modulate pyridinic N (NP), graphitic N (NG) and pyrrolic N (NPY) sites, respectively, while phytic acid is used as P sites. The results demonstrate that the N and P co‐doped graphene with NP+NG+P configuration shows increased ORR performance, and on the other hand, the NP+NPY+P configuration enhances OER. Density functional theory (DFT) calculation demonstrates that different NP configurations formed by precursor modulation induce different electronic structure on surrounding carbon atoms, providing a possibility to manipulate intermediates energy in reaction pathway for ORR and OER. This study sheds new light on revealing the intrinsic correlation between active site configurations and catalytic bifunctional activity and selectivity of graphene based electrocatalysts for oxygen redox reactions.
Nothing About Us Without Us – Towards Genuine Inclusion of Disabled Scientists and Science Students Post Pandemic
Authors: Sarju Julia P. 
Published: June 2021

AbstractScientists and students with disabilities have been severely affected by the COVID‐19 pandemic, and this must be urgently addressed to avoid further entrenching existing inequalities. The need for rapid decision‐making, often by senior colleagues without lived experience of disabilities, can lead to policies which discriminate against scientists with disabilities.This article reflects on disability declaration statistics and research in critical disability studies and social science to explore the challenges experienced by disabled scientists before and during the COVID‐19 pandemic and highlights recommendations and examples of good practice to adopt in order to challenge ableism in STEM communities and workplaces. It is vital that disabled staff and students are fully involved in decision making. This is particularly important as we continue to respond to the challenges and opportunities associated with the ongoing COVID‐19 pandemic and plan for a post‐COVID‐19 future.This time of great change can be used as an opportunity to listen, learn, and improve working conditions and access for scientists with disabilities, and by doing so, for everyone.
Easily Available, Amphiphilic Diiron Cyclopentadienyl Complexes Exhibit in Vitro Anticancer Activity in 2D and 3D Human Cancer Cells through Redox Modulation Triggered by CO Release
Authors: Biancalana Lorenzo , De Franco Michele , Ciancaleoni Gianluca , Zacchini Stefano , Pampaloni Guido , Gandin Valentina , Marchetti Fabio 
Published: June 2021

AbstractA straightforward two‐step procedure via single CO removal allows the conversion of commercial [Fe2Cp2(CO)4] into a range of amphiphilic and robust ionic complexes based on a hybrid aminocarbyne/iminium ligand, [Fe2Cp2(CO)3{CN(R)(R’)}]X (R, R’=alkyl or aryl; X=CF3SO3 or BF4), on up to multigram scales. Their physicochemical properties can be modulated by an appropriate choice of N‐substituents and counteranion. Tested against a panel of human cancer cell lines, the complexes were shown to possess promising antiproliferative activity and to circumvent multidrug resistance. Interestingly, most derivatives also retained a significant cytotoxic activity against human cancer 3D cell cultures. Among them, the complex with R=4‐C6H4OMe and R’=Me emerged as the best performer of the series, being on average about six times more active against cancer cells than a noncancerous cell line, and displayed IC50 values comparable to those of cisplatin in 3D cell cultures. Mechanistic studies revealed the ability of the complexes to release carbon monoxide and to act as oxidative stress inducers in cancer cells.
Switching from Metal‐ to Ligand‐Based Oxidation in Cobalt Complexes with Redox‐Active Bisguanidine Ligands
Authors: Lohmeyer Lukas , Kaifer Elisabeth , Enders Markus , Himmel Hans‐Jörg 
Published: June 2021

AbstractThe control of the redox reactivity, magnetic and optical properties of the different redox states of complexes with redox‐active ligands permits their rational use in catalysis and materials science. The redox‐chemistry of octahedrally coordinated high‐spin CoII complexes (three unpaired electrons) with one redox‐active bisguanidine ligand and two acetylacetonato (acac) co‐ligands is completely changed by replacing the acac by hexafluoro‐acetylacetonato (hfacac) co‐ligands. The first one‐electron oxidation is metal‐centered in the case of the complexes with acac co‐ligands, giving diamagnetic CoIII complexes. By contrast, in the case of the less Lewis‐basic hfacac co‐ligands, the first one‐electron oxidation becomes ligand‐centered, leading to high‐spin CoII complexes with a radical monocationic guanidine ligand unit (four unpaired electrons). Ferromagnetic coupling between the spins on the metal and the organic radical in solution is evidenced by temperature‐dependent paramagnetic NMR studies, allowing to estimate the isotropic exchange coupling constant in solution. Second one‐electron oxidation leads to high‐spin CoII complexes with dicationic guanidine ligand units (three unpaired electrons) in the presence of hfacac co‐ligands, but to low‐spin CoIII complexes with radical monocationic, peralkylated guanidine ligand (one unpaired electron) in the presence of acac co‐ligands. The analysis of the electronic structures is complemented by quantum‐chemical calculations on the spin density distributions and relative energies of the possible redox isomers.
Iminosugar C‐Glycosides Work as Pharmacological Chaperones of NAGLU, a Glycosidase Involved in MPS IIIB Rare Disease**
Authors: Zhu Sha , Jagadeesh Yerri , Tran Anh Tuan , Imaeda Shuki , Boraston Alisdair , Alonzi Dominic S. , Poveda Ana , Zhang Yongmin , Désiré Jérôme , Charollais‐Thoenig Julie , Demotz Stéphane , Kato Atsushi , Butters Terry D. , Jiménez‐Barbero Jesús , Sollogoub Matthieu , Blériot Yves 
Published: June 2021

AbstractMucopolysaccharidosis type IIIB is a devastating neurological disease caused by a lack of the lysosomal enzyme, α‐N‐acetylglucosaminidase (NAGLU), leading to a toxic accumulation of heparan sulfate. Herein we explored a pharmacological chaperone approach to enhance the residual activity of NAGLU in patient fibroblasts. Capitalizing on the three‐dimensional structures of two modest homoiminosugar‐based NAGLU inhibitors in complex with bacterial homolog of NAGLU, CpGH89, we have synthesized a library of 17 iminosugar C‐glycosides mimicking N‐acetyl‐D‐glucosamine and bearing various pseudo‐anomeric substituents of both α‐ and β‐configuration. Elaboration of the aglycon moiety results in low micromolar selective inhibitors of human recombinant NAGLU, but surprisingly it is the non‐functionalized and wrongly configured β‐homoiminosugar that was proved to act as the most promising pharmacological chaperone, promoting a 2.4 fold activity enhancement of mutant NAGLU at its optimal concentration.