bluuebunny/crossref_metadata_2025_split huggingface dataset:
Schadstoffe in Museen
Authors: Schieweck Alexandra 
Published: May 2021

ZusammenfassungDie Luftqualität in Innenräumen ist nicht nur für die menschliche Gesundheit und das Wohlergehen bedeutend, sondern ist auch für den Erhalt musealer Sammlungen von großer Relevanz. Chemische Verbindungen werden bauseitig durch Werkstoffe und Materialien, aber auch durch die Sammlungsgüter selbst in die Raumluft freigesetzt. Die Kenntnis von Materialemissionen, beeinflussender Parameter und chemischer Reaktionen ist daher wichtig, um Schadensbilder an Sammlungsgut erklären und die verursachenden Faktoren reduzieren zu können. Qualitätssichernde Maßnahmen stellen wichtige Werkzeuge dar, um für die Aufbewahrung von Sammlungsgut geeignete Materialien auszuwählen und eine niedrig belastete Luftqualität zu gewährleisten. Eine Dekontamination von mit bioziden Wirkstoffen belasteten Objekten ist nur eingeschränkt möglich, so dass der Umgang mit entsprechenden Exponaten sehr umsichtig erfolgen muss.
Science Education and computer literacy – bringing together, what belongs together?!
Authors: Banerji Amitabh , Thyssen Christoph , Pampel Barbara , Huwer Johannes 
Published: May 2021

AbstractInformatische Bildung spielt eine immer zentralere Rolle in der Bildung einer Gesellschaft des 21. Jahrhunderts. Für den Chemieunterricht ergeben sich daraus zwei Aspekte: Einerseits können Konzepte der informatischen Bildung dabei helfen, chemie‐ und naturwissenschaftsspezifische Denk‐ und Arbeitsweisen zu fördern. Andererseits kann der Chemieunterricht einen Beitrag für die informatische Bildung leisten. Dieser Artikel geht auf beide Aspekte ein und versucht die gegenseitigen Vorteile der informatischen Bildung und der naturwissenschaftlichen Bildung im Chemieunterricht darzustellen.
Targeting the S100A2‐p53 Interaction with a Series of 3,5‐Bis(trifluoromethyl)benzene Sulfonamides: Synthesis and Cytotoxicity
Authors: Sun Jufeng , Ambrus Joey I. , Russell Cecilia C. , Baker Jennifer R. , Cossar Peter J. , Pirinen Melanie J. , Sakoff Jennette A. , Scarlett Christopher J. , McCluskey Adam 
Published: May 2021

AbstractIn silico approaches identified 1, N‐(6‐((4‐bromo‐ benzyl)amino)hexyl)‐3,5‐bis(trifluoromethyl)benzene sulfonamide, as a potential inhibitor of the S100A2‐p53 protein‐protein interaction, a validated pancreatic cancer drug target. Subsequent cytotoxicity screening revealed it to be a 2.97 μM cell growth inhibitor of the MiaPaCa‐2 pancreatic cell line. This is in keeping with our hypothesis that inhibiting this interaction would have an anti‐pancreatic cancer effect with S100A2, the validated PC drug target. A combination of focused library synthesis (three libraries, 24 compounds total) and cytotoxicity screening identified a propyl alkyl diamine spacer as optimal; the nature of the terminal phenyl substituent had limited impact on observed cytotoxicity, whereas N‐methylation was detrimental to activity. In total 15 human cancer cell lines were examined, with most analogues showing broad‐spectrum activity. Near uniform activity was observed against a panel of six pancreatic cancer cell lines: MiaPaCa‐2, BxPC‐3, AsPC‐1, Capan‐2, HPAC and PANC‐1. In all cases there was good to excellent correlation between the predicted docking pose in the S100A2‐p53 binding groove and the observed cytotoxicity, especially in the pancreatic cancer cell line with high endogenous S100A2 expression. This supports S100A2 as a pancreatic cancer drug target.
Successful pregnancy and fetal outcome following previous treatment with pembrolizumab for relapsed Hodgkin's lymphoma
Authors: Le‐Nguyen Alexandre , Rys Ryan N. , Petrogiannis‐Haliotis Tina , Johnson Nathalie A. 
Published: May 2021

AbstractBackgroundClassical Hodgkin lymphoma (cHL) is one of the most frequently diagnosed neoplasms in young adults and is curable even in the relapse setting. Many patients seek advice regarding pregnancy once they have a sustained complete remission (CR). PD1 inhibitors are effective in inducing CRs in relapsed cHL, but little is known about their effects on pregnancy, fetal outcomes, or risk of relapse. The PD1/PDL1 axis is vital in the maintenance of pregnancy, allowing for fetal tolerance. This axis is also a key pathway by which Hodgkin Reed Sternberg cells escape immune surveillance. Thus, exposure to PD1 inhibitors in the context of a pregnant cHL survivor could potentially lead to maternal and fetal complications as well as increase the risk of relapse. Pregnancy and fetal outcomes following PD1 inhibitors have been reported in women with melanoma, but not cHL. Such data may help physicians counsel their patients on this topic.CaseThis case describes a 25‐year‐old woman who was diagnosed with advanced stage cHL that was treated with multiple courses of chemotherapy and autologous stem cell transplant (ASCT) for primary refractory disease. She experienced a relapse eight months following ASCT and was treated with the PD1 inhibitor pembrolizumab. She completed a total of 21 cycles, achieving a CR after cycle five. After 2 years of sustained CR off pembrolizumab, she had an unassisted and uneventful pregnancy. She delivered a healthy baby boy with no significant complications. He reached his normal milestones in his first year. She remains in CR four years following her last dose of pembrolizumab, evoking the possibility of her being cured of cHL.ConclusionSuccessful pregnancies and fetal outcomes, while maintaining clinical remissions, are possible in women with relapsed cHL treated with pembrolizumab.
Consistency between patients and families in recognizing cancer chemotherapy side effects: A questionnaire survey
Authors: Horio Fukuko , Ikeda Tokunori , Arake Yurimi , Kawashima Nodoka , Eto Erina , Matsukura Makoto , Fujii Isao , Uchida Yuji 
Published: May 2021

AbstractBackgroundAlthough the side effects of cancer chemotherapy impair a patient's quality of life, family members' awareness of side effects may relieve patient anxiety and distress.AimWe investigated whether patients and their families were consistent in recognizing the occurrence and severity of symptomatic side effects of chemotherapy treatment for cancer.Methods and resultsThis was a prospective observational study. We administered a questionnaire survey to patients and family members to assess the frequency of occurrence (1: never, 2: almost never, 3: sometimes, 4: frequently, 5: almost always, 6: unknown) and the degree of severity (1: mild, 2: moderate, 3: severe, 4: extremely severe, 5: unknown) of physical and psychological symptoms associated with cancer chemotherapy. Weighted Kappa and Cramer coefficients were used to assess consistency between the two groups. We surveyed 20 pairs of patients (5 men, 15 women) and their families (10 men, 10 women); 17 pairs lived together. The median age was 65.5 years (interquartile [IQR], 58.75, 69.25) for patients and 61.00 years (IQR, 47.25, 71.25) for family members. Of patients, 17 had solid cancer, and three had leukemia. Family members mostly recognized objectively visible symptoms such as hair loss and development of spots and keratinization. However, it was difficult for families to detect invisible subjective symptoms such as weakness, dysesthesia, depressed mood, and unarticulated anxiety.ConclusionsThe results indicated that recognition of invisible subjective symptoms in patients undergoing chemotherapy was difficult even for family members. Therefore, a multidisciplinary approach in which various medical professionals actively communicate with both patients and families is important. Information sharing in collaboration with patients and families could increase understanding of the patient's condition and optimize patient care.
Virtual reality for the enhancement of emotion regulation
Authors: Colombo Desirée , Díaz‐García Amanda , Fernandez‐Álvarez Javier , Botella Cristina 
Published: May 2021

AbstractIn recent decades, a growing body of literature has focused on emotion regulation (ER), which refers to the ability to implement strategies in order to modulate emotional responses and reach desirable goals. To date, impaired ER (i.e., emotion dysregulation) has been identified as a transdiagnostic factor across a wide range of psychopathological conditions, which shows the importance of improving patients' ability to regulate negative and positive emotions in clinical practice. In addition to the increasing evidence showing its efficacy in the treatment of several clinical conditions, virtual reality (VR) has recently emerged as a potentially powerful tool for enhancing ER, thus breaking new ground in the development of cutting‐edge transdiagnostic interventions. In the present narrative review, we will provide an overview of the existing evidence about VR‐based interventions in the field of ER, emphasizing the promising findings and the barriers that still have to be addressed. To this aim, the available VR‐based literature will be analysed in relation to four categories of ER strategies: situational strategies, attentional strategies, cognitive strategies, and response modulation strategies. Furthermore, new emerging fields of research targeting innovative aspects of ER will be highlighted, including the use of VR to promote positive emotions and interpersonal ER skills. Besides, its cost‐effectiveness will be discussed, taking into account the costs for both developers (e.g., clinicians and researchers) and end‐users. Finally, future directions in this promising field of research will be outlined.
Current Developments in the Chemical Upcycling of Waste Plastics Using Alternative Energy Sources
Authors: Karimi Estahbanati M. R. , Kong Xin Ying , Eslami Ali , Soo Han Sen 
Published: May 2021

AbstractThe management of plastics waste is one of the most urgent and significant global problems now. Historically, waste plastics have been predominantly discarded, mechanically recycled, or incinerated for energy production. However, these approaches typically relied on thermal processes like conventional pyrolysis, which are energy‐intensive and unsustainable. In this Minireview, some of the latest advances and future trends in the chemical upcycling of waste plastics by photocatalytic, electrolytic, and microwave‐assisted pyrolysis processes are discussed as more environmentally friendly alternatives to conventional thermal reactions. We highlight how the transformation of different types of plastics waste by exploiting alternative energy sources can generate value‐added products such as fuels (H2 and other carbon‐containing small molecules), chemical feedstocks, and newly functionalized polymers, which can contribute to a more sustainable and circular economy.
Determination of buprenorphine, norbuprenorphine, naloxone, and their glucuronides in urine by liquid chromatography–tandem mass spectrometry
Authors: Mariottini Claudia , Gergov Merja , Ojanperä Ilkka 
Published: May 2021

AbstractA liquid chromatography–tandem mass spectrometry method for the simultaneous quantification of buprenorphine (BUP), norbuprenorphine (NBUP), naloxone (NAL), and their glucuronide conjugates BUP‐G, NBUP‐G, and NAL‐G in urine samples was developed. The method, omitting a hydrolysis step, involved non‐polar solid‐phase extraction, liquid chromatography on a C18 column, electrospray positive ionization, and mass analysis by multiple reaction monitoring. Quantification was based on the corresponding deuterium‐labelled internal standards for each of the six analytes. The limit of quantification was 0.5 μg/L for BUP and NAL, 1 μg/L for NAL‐G, and 3 μg/L for NBUP, BUP‐G, and NBUP‐G. Using the developed method, 72 urine samples from buprenorphine‐dependent patients were analysed to cover the concentration ranges encountered in a clinical setting. The median (maximum) concentration was 4.2 μg/L (102 μg/L) for BUP, 74.7 μg/L (580 μg/L) for NBUP, 0.9 μg/L (85.5 μg/L) for NAL, 159.5 μg/L (1370 μg/L) for BUP‐G, 307.5 μg/L (1970 μg/L) for NBUP‐G, and 79.6 μg/L (2310 μg/L) for NAL‐G.
Changes in quality of life, depression, general anxiety, and heart‐focused anxiety after defibrillator implantation
Authors: Kindermann Ingrid , Wedegärtner Sonja Maria , Bernhard Benedikt , Ukena Julia , Lenski Denise , Karbach Julia , Schwantke Igor , Ukena Christian , Böhm Michael 
Published: May 2021

AbstractAimsThe Anxiety‐CHF (Anxiety in patients with Chronic Heart Failure) study investigated heart‐focused anxiety (HFA, with the dimensions fear, attention, and avoidance of physical activity), general anxiety, depression, and quality of life (QoL) in patients with heart failure. Psychological measures were assessed before and up to 2 years after the implantation of an implantable cardioverter defibrillator (ICD) with or without cardiac resynchronization therapy defibrillator (CRT‐D).Methods and resultsOne hundred thirty‐two patients were enrolled in this monocentric prospective study (44/88 CRT‐D/ICD, mean age 61 ± 14 years, mean left ventricular ejection fraction 31 ± 9%, and 29% women). Psychological assessment was performed before device implantation as well as after 5, 12, and 24 months. After device implantation, mean total HFA, HFA‐fear, HFA‐attention, general anxiety, and QoL improved significantly. Depression and HFA‐related avoidance of physical activity did not change. CRT‐D patients compared with ICD recipients and women compared with men reported worse QoL at baseline. Younger patients (<median of 63 years) had higher levels of general anxiety and lower levels of HFA‐avoidance at baseline than older patients. After 24 months, groups no longer differed from each other on these scores. Patients with a history of shock or anti‐tachycardia pacing (shock/ATP; N = 19) reported no improvements in psychological measures and had significantly higher total HFA and HFA‐avoidance levels after 2 years than participants without shock/ATP.ConclusionsAnxiety and QoL improved after device implantation, and depression and HFA‐avoidance remained unchanged. HFA may be more pronounced after shock/ATP. Psychological counselling in these patients to reduce HFA and increase physical activity should be considered.
Heteroaliphatic Dimethylphosphine Oxide Building Blocks: Synthesis and Physico‐Chemical Properties
Authors: Fedyk Andrii , Slobodyanyuk Evgeniy Y. , Stotska Olha , Vashchenko Bohdan V. , Volochnyuk Dmitriy M. , Sibgatulin Dmitriy A. , Tolmachev Andrey A. , Grygorenko Oleksandr O. 
Published: May 2021

AbstractScalable synthesis of saturated heterocyclic dimethyl phosphine oxides (derivatives of azetidine, pyrrolidine, piperidine, and morpholine) is disclosed. The key steps of the synthesis relied on the reactions of HP(O)Me2, i. e. the phospha‐Mannich (the Kabachnik‐Fields‐type) condensation with cyclic imines or monoprotected diamines, palladium‐catalyzed reactions of alkenyl halides or trifltates (generated from cyclic ketones), as well as base‐mediated nucleophilic substitution, Michael addition, or oxirane ring opening. It was shown that introducing the P(O)Me2 group into the saturated heterocyclic core had very strong impact on the compound's basicity: the corresponding α‐, β‐, and γ‐isomeric derivatives were by ca. 4, 2, and 1.6 pKa units less basic, respectively, as compared to the parent saturated heterocycle. Meanwhile, the P(O)Me2‐substituted compound was more basic than its SO2i‐Pr and SO2NMe2‐containing isosteres (by ca. 1.2 and 0.4 pKa units, respectively). It was also demonstrated that the P(O)Me2 group typically increased the compound's hydrophilicity and aqueous solubility. In particular, the LogP values for the corresponding derivatives were by ca. 1.4–1.7 and 0.6 units lower than for the non‐substituted counterpart and sulfonamide/sulfone isosteres, respectively. Finally, a potential of the synthesized building blocks to generate lead‐like three‐dimensional compound libraries was confirmed using the Nelson's LLAMA tool.
The mediating effect of pain catastrophizing on pain intensity: The influence of the timing of assessments
Authors: Rizzo Rodrigo R. N. , Lee Hopin , Cashin Aidan G. , Costa Leonardo O. P. , Gustin Sylvia M. , McAuley James H. 
Published: May 2021

AbstractBackgroundPain catastrophizing underpins several psychosocial theories of pain, but there is limited evidence to support the proposal that changes in pain catastrophizing cause changes in pain. Results from mediation analyses have conflicting results, and one reason for these might be the timing of the assessment of pain catastrophizing. This study aimed to test the effect of the timing of the assessment of pain catastrophizing on its mediating role on pain intensity.MethodsCausal mediation analysis using data from a randomized controlled trial which included 100 participants with chronic low back pain. The trial found that clinical hypnosis, compared to pain education, reduced worst pain intensity and pain catastrophizing. In model 1, we used data from 2‐week follow‐up for pain catastrophizing and 3‐month follow‐up for pain. In model 2, we used data from 3‐month follow‐up for both pain catastrophizing and pain.ResultsThe intervention had a significant average total effect on pain (−1.34 points, 95% CI −2.50 to −0.13). The average causal mediation effect was significant when pain catastrophizing, and pain were measured at the same time (−0.62 points, 95% CI −1.30 to −0.11) but not significant when pain catastrophizing and pain intensity were measured at different times (−0.10 points, 95% CI −0.42 to 0.09).ConclusionsThe timing of the assessment influenced the mediating role of pain catastrophizing on pain intensity. These results raise questions on the casual role that pain catastrophizing has on pain intensity. Psychosocial interventions such as clinical hypnosis can reduce pain intensity even when there has been no change in pain catastrophizing.
MRI‐Based Iron Phenotyping and Patient Selection for Next‐Generation Sequencing of Non–Homeostatic Iron Regulator Hemochromatosis Genes
Authors: Viveiros André , Schaefer Benedikt , Panzer Marlene , Henninger Benjamin , Plaikner Michaela , Kremser Christian , Franke André , Franzenburg Sören , Hoeppner Marc P. , Stauder Reinhard , Janecke Andreas , Tilg Herbert , Zoller Heinz 
Published: May 2021

Background and Aims
High serum ferritin is frequent among patients with chronic liver disease and commonly associated with hepatic iron overload. Genetic causes of high liver iron include homozygosity for the p.Cys282Tyr variant in homeostatic iron regulator (HFE) and rare variants in non‐HFE genes. The aims of the present study were to describe the landscape and frequency of mutations in hemochromatosis genes and determine whether patient selection by noninvasive hepatic iron quantification using MRI improves the diagnostic yield of next‐generation sequencing (NGS) in patients with hyperferritinemia.

Approach and Results
A cohort of 410 unselected liver clinic patients with high serum ferritin (defined as ≥200 μg/L for women and ≥300 μg/L for men) was investigated by HFE genotyping and abdominal MRI R2*. Forty‐one (10%) patients were homozygous for the p.Cys282Tyr variant in HFE. Of the remaining 369 patients, 256 (69%) had high transferrin saturation (TSAT; ≥45%) and 199 (53%) had confirmed hepatic iron overload (liver R2* ≥70 s−1). NGS of hemochromatosis genes was carried out in 180 patients with hepatic iron overload, and likely pathogenic variants were identified in 68 of 180 (38%) patients, mainly in HFE (79%), ceruloplasmin (25%), and transferrin receptor 2 (19%). Low spleen iron (R2* <50 s−1), but not TSAT, was significantly associated with the presence of mutations. In 167 patients (93%), no monogenic cause of hepatic iron overload could be identified.

Conclusions
In patients without homozygosity for p.Cys282Tyr, coincident pathogenic variants in HFE and non‐HFE genes could explain hyperferritinemia with hepatic iron overload in a subset of patients. Unlike HFE hemochromatosis, this type of polygenic hepatic iron overload presents with variable TSAT. High ferritin in blood is an indicator of the iron storage disease, hemochromatosis. A simple genetic test establishes this diagnosis in the majority of patients affected. MRI of the abdomen can guide further genetic testing.
Who pays the penalty? Implications of gender pay disparities within top management teams for firm performance
Authors: Yanadori Yoshio , Kulik Carol T. , Gould Jill A. 
Published: May 2021

AbstractDespite the expected advantages of appointing women to corporate leadership roles, empirical evidence provides mixed support for the positive relationship between women's representation in the top management team (TMT) and subsequent firm performance. Considering the evidence that female TMT members are often paid less than their male colleagues, this study examines the implications of a gender pay disparity for the relationship between women's representation in the TMT and firm performance. Our analysis that draws on TMT pay data in public Australian firms demonstrates that gender pay disparities within TMTs negatively moderate the relationship between women's representation in the TMT and subsequent firm performance. Specifically, when female TMT members are paid less than their male colleagues, and this gender pay disparity is large, women's representation in the TMT is negatively associated with firm performance.
Three‐dimensional hydromagnetic hybrid nanoliquid flow and heat transfer between two vertical porous plates moving in opposite directions: Sensitivity analysis
Authors: Mathew Alphonsa , Neethu T. S. , Areekara Sujesh 
Published: May 2021

AbstractThe hydromagnetic convective flow between two parallel plates has been analyzed frequently. However, only a countable number of studies are accounted for the flow between parallel plates moving in opposite directions. The present work aims to analytically explore the three‐dimensional (3D) convective hydromagnetic hybrid nanoliquid (with suspended and nanoparticles) flow between two oppositely moving vertical porous plates utilizing the perturbation technique. The consequence of effectual parameters on the flow profiles is analyzed with the aid of graphs using MATLAB software. It is perceived that nanoparticle volume fraction ascends drag coefficient and descends temperature and main flow velocity. Furthermore, the rate of heat transfer is statistically scrutinized utilizing response surface methodology and sensitivity analysis. It is noted that the Nusselt number is most sensitive with the injection parameter. 3D surface plots are used to illustrate the parallel effect of pertinent parameters on the drag coefficient. Moreover, the present study finds applications in several engineering, geophysical, and industrial fields, such as in heat exchangers and faulting.