bluuebunny/crossref_metadata_2025_split huggingface dataset:
Voltammetry and Single‐Molecule In Situ Scanning Tunnelling Microscopy of the Redox Metalloenzyme Human Sulfite Oxidase
Authors: Yan Jiawei , Frøkjær Emil Egede , Engelbrekt Christian , Leimkühler Silke , Ulstrup Jens , Wollenberger Ulla , Xiao Xinxin , Zhang Jingdong 
Published: December 2020

AbstractHuman sulfite oxidase (hSO) is a homodimeric two‐domain enzyme central in the biological sulfur cycle. A pyranopterin molybdenum cofactor (Moco) is the catalytic site and a heme b5 group located in the N‐terminal domain. The two domains are connected by a flexible linker region. Electrons produced at the Moco in sulfite oxidation, are relayed via heme b5 to electron acceptors or an electrode surface. Inter‐domain conformational changes between an open and a closed enzyme conformation, allowing “gated” electron transfer has been suggested. We first recorded cyclic voltammetry (CV) of hSO on single‐crystal Au(111)‐electrode surfaces modified by self‐assembled monolayers (SAMs) both of a short rigid thiol, cysteamine and of a longer structurally flexible thiol, ω‐amino‐octanethiol (AOT). hSO on cysteamine SAMs displays a well‐defined pair of voltammetric peaks around −0.207 V vs. SCE in the absence of sulfite substrate, but no electrocatalysis. hSO on AOT SAMs displays well‐defined electrocatalysis, but only “fair” quality voltammetry in the absence of sulfite. We recorded next in situ scanning tunnelling spectroscopy (STS) of hSO on AOT modified Au(111)‐electrodes, disclosing, a 2–5 % surface coverage of strong molecular scale contrasts, assigned to single hSO molecules, notably with no contrast difference in the absence and presence of sulfite. In situ STS corroborated this observation with a sigmoidal tunnelling current/overpotential correlation.
A Review on the Morphologically Controlled Synthesis of Polyphosphazenes for Electrochemical Applications
Authors: Ali Zahid , Basharat Majid , Wu Zhanpeng 
Published: December 2020

AbstractPolyphosphazenes (PPNs) belong to organic‐inorganic hybrid polymeric skeletal materials suitably fabricated via precipitation or condensation polymerization and self‐assembly approaches. Organic moieties with two and three −NH2or −OH functionalities inherit subsequent ordered 2D and 3D arrangements of the atoms and molecules to attain the morphologies such as nanotubes, nano/micro‐spheres, fibers, nanosheets, and covalent organic frameworks (COFs). Auto‐doping is a strategic feature of PPN materials to originate binary‐, ternary‐, and quaternary‐doped carbon frameworks and graphitic carbon nitride (g‐C3N4) upon direct pyrolysis in an inert environment. Hollow carbon spheres provides a good range of surface areas (ca. 755–3673 m2/g) with enormous active sites and hierarchical channels for the effective flow of electrolyte ions, which make them a good choice for solid‐state batteries and supercapacitors; structural irregularities and imperfections offer surface‐adsorbed breakdown of water and open new horizons for water splitting through hydrogen evolution, oxygen evolution and oxygen reduction with the lowest half‐wave (E1/2) potential when compared to Pt/C‐ and Pt/C+RuO2‐based electrocatalysts.
Theranostics Through the Synergistic Cooperation of Heterometallic Complexes
Authors: Redrado Marta , Fernández‐Moreira Vanesa , Gimeno M. Concepción 
Published: December 2020

AbstractHeterometallic drugs are emerging as a great alternative to conventional metallodrugs. Careful selection of different metallic fragments makes possible to enhance not only the therapeutic potential by a synergistic effect, but also to incorpore key features like traceability. Drugs that integrate traceability and therapy in one system are known as theranostic agents. In cancer research, theranostic agents are becoming increasingly important. They deliver crucial information regarding their biological interplay that can ultimately be used for optimization. The well‐established therapeutic potential of PtII‐, RuII‐ and AuI‐based drugs combined with the outstanding optical properties of d6 transition metal complexes grant the delivery of traceable metallodrugs. These species can be easily fine‐tuned through modification of their respective ligands to provide a new generation of drugs.
Solvothermal Synthesis of Lanthanide‐doped NaYF4 Upconversion Crystals with Size and Shape Control: Particle Properties and Growth Mechanism
Authors: Sun Chunning , Schäferling Michael , Resch‐Genger Ute , Gradzielski Michael 
Published: December 2020

AbstractLanthanide‐doped NaYF4 upconversion nano‐ and microcrystals were synthesized via a facile solvothermal approach. Thereby, the influence of volume ratios of ethylene glycol (EG)/H2O, molar ratios of NH4F/RE3+ (RE3+ represents the total amount of Y3+ and rare‐earth dopant ions), Gd3+ ion contents, types of activator dopant ions, and different organic co‐solvents on the crystal phase, size, and morphology of the resulting particles were studied systematically. A possible formation mechanism for the growth of crystals of different morphology is discussed. Our results show that the transition from the α‐ to the β‐phase mainly depends on the volume ratio of EG/H2O and the molar ratio of NH4F/RE3+, while the morphology and size could be controlled by the type of organic co‐solvent and Gd3+ dopant ions. Furthermore, the reaction time has to be long enough to convert α‐NaYF4 into β‐NaYF4 during the growth process to optimize the upconversion luminescence. The formation of larger β‐NaYF4 crystals, which possess a higher upconversion luminescence than smaller particles, proceeds via intermediates of smaller crystals of cubic structure. In summary, our synthetic approach presents a facile route to tailor the size, crystal phase, morphology, and luminescence features of upconversion materials.
On the Method of Pulse‐Heated Analysis of Solid Reactions (PHASR) for Polyolefin Pyrolysis
Authors: Zolghadr Ali , Sidhu Nathan , Mastalski Isaac , Facas Greg , Maduskar Saurabh , Uppili Sundararajan , Go Tony , Neurock Matthew , Dauenhauer Paul J. 
Published: December 2020

AbstractThe continued need for plastics necessitates an effective solution for processing and recycling polymer wastes. While pyrolysis is a promising technology for polyolefin recycling, an experimental apparatus must be designed to measure the intrinsic kinetics and elucidate the chemistry of the plastics pyrolysis process. To resolve this issue, a modified Pulse‐Heated Analysis of Solid Reactions (PHASR) system was designed, constructed, and evaluated for the purposes of polyolefin pyrolysis. Experimental results demonstrated that the new PHASR system is capable of measuring the millisecond‐resolved evolution of plastic [e. g., low‐density polyethylene (LDPE)] pyrolysis products at a constant temperature. The PHASR system was shown to be capable of producing a repeatable, fast heating time (20 ms) and cooling time (130–150 ms), and of maintaining a stable temperature during reaction. A second, Visual PHASR system was developed to enable high‐speed photography and visualization of the real‐time pyrolysis of LDPE.
Regulation of the humoral type 2 immune response against allergens and helminths
Authors: Haase Paul , Voehringer David 
Published: December 2020

AbstractThe type 2 immune response is associated with helminth infections and allergic inflammation where antibody production of the IgG1 and IgE isotypes can elicit protective or proinflammatory functions. Studies over the past few years revealed important new insights regarding the regulatory mechanisms orchestrating the humoral type 2 immune response. This includes investigations on B‐cell extrinsic signals, such IL‐4 and IL‐21, derived from different T‐helper cell subsets or discovery of new follicular helper T cells with regulatory or IgE‐promoting activities. In addition, studies on B‐cell intrinsic factors required for germinal center formation and class switch recombination, including the transcription factors STAT3, STAT6, and BCL‐6, led to a better understanding of these processes in type 2 immune responses. Here, we review the current understanding of mechanisms controlling humoral type 2 immunity in vivo including the generation of IgE‐producing plasma cells and the memory IgE response.
Handling the COVID‐19 crisis in France: Paradoxes of a centralized state‐led health system
Authors: Hassenteufel Patrick 
Published: December 2020

AbstractFrance was one of the European countries that was most severely affected by the COVID‐19 pandemic in the first half of 2020. Despite the effective capacity of crisis management often ascribed to majoritarian democracies, the French centralized state‐led health system is subject to rising critiques for the measures it has adopted and for the strategies it deployed to fight COVID‐19. The identified policy failures question the central government’ capacities in crisis management more generally. This article sheds light on the policy responses to COVID‐19 taken by the French executive and emphasizes that to understand the link between crisis and policy change, the policy trajectories prior to the crisis, the degree of politicization of the crisis, and the actor constellations existing throughout the crisis play a major role. National crisis reactions thus were far more driven by policy actors and political constellations, than by scientific advice or functionality.
CO2‐water‐rock interactions in undeformed and sheared claystone caprocks from Northern Europe
Authors: Vernooij Roland , Siqueira Tiago de Abreu , Hangx Suzanne , Spiers Christopher , Ketzer Marcelo , Iglesias Rodrigo Sebastian 
Published: December 2020

AbstractOne of the most promising, cost‐effective, and readily available technologies for reducing greenhouse gas emissions to the atmosphere is the capture and separation of CO2 from large stationary sources and storage in geological formations. Storage security, especially in the early stages of operation, is mostly guaranteed by caprock formations with very low permeability overlying the reservoir, capable of containing the injected fluid. Chemical alterations of the formation brine, caused by CO2 injection may cause dissolution and precipitation of secondary minerals, potentially increasing the risks of leakage from the reservoir. In order to evaluate these processes and their potential to induce the formation of leakage pathways in ultrafine fault gouges, a series of batch experiments was performed on crushed and sheared samples from three different caprock formations from Northern Europe (Sollingen, Röt and Opalinus claystones). The experiments were supported by numerical models of the kinetics of mineral dissolution and precipitation simulating the same experimental conditions, and over a longer time (10 000 years). Minor mineral alterations were observed after the batch experiments, the most important being: illite dissolution for the Opalinus and Röt formation samples, and dolomite dissolution and the transformation of illite and chlorite into kaolinite for the Sollingen sample. © 2020 Society of Chemical Industry and John Wiley & Sons, Ltd.
Refitting the Model for End‐Stage Liver Disease for the Eurotransplant Region
Authors: Goudsmit Ben F. J. , Putter Hein , Tushuizen Maarten E. , Vogelaar Serge , Pirenne Jacques , Alwayn Ian P. J. , van Hoek Bart , Braat Andries E. 
Published: December 2020

Background and Aims
The United Network for Organ Sharing’s Model for End‐Stage Liver Disease (UNOS‐MELD) score is the basis of liver allocation in the Eurotransplant region. It was constructed 20 years ago in a small US cohort and has remained unchanged ever since. The best boundaries and coefficients were never calculated for any region outside the United States. Therefore, this study refits the MELD (reMELD) for the Eurotransplant region.

Approach and Results
All adult patients listed for a first liver transplantation between January 1, 2007, and December 31, 2018, were included. Data were randomly split in a training set (70%) and a validation set (30%). In the training data, generalized additive models with splines were plotted for each MELD parameter. The lower and upper bound combinations with the maximum log‐likelihood were chosen for the final models. The refit models were tested in the validation data with C‐indices and Brier scores. Through likelihood ratio tests the refit models were compared to UNOS‐MELD. The correlation between scores and survival of prioritized patients was calculated. A total of 6,684 patients were included. Based on training data, refit parameters were capped at creatinine 0.7‐2.5, bilirubin 0.3‐27, international normalized ratio 0.1‐2.6, and sodium 120‐139. ReMELD and reMELD‐Na showed C‐indices of 0.866 and 0.869, respectively. ReMELD‐Na prioritized patients with 1.6 times higher 90‐day mortality probabilities compared to UNOS‐MELD.

Conclusions
Refitting MELD resulted in new lower and upper bounds for each parameter. The predictive power of reMELD‐Na was significantly higher than UNOS‐MELD. ReMELD prioritized patients with higher 90‐day mortality rates. Thus, reMELD(‐Na) should replace UNOS‐MELD for liver graft allocation in the Eurotransplant region.
Acute Liver Injury With Therapeutic Doses of Acetaminophen: A Prospective Study
Authors: Louvet Alexandre , Ntandja Wandji Line Carolle , Lemaître Elise , Khaldi Marion , Lafforgue Claire , Artru Florent , Quesnel Benoît , Lassailly Guillaume , Dharancy Sébastien , Mathurin Philippe 
Published: December 2020

Background and Aims
Because of the extensive use of this drug, further evaluation of acute liver injury (ALI) with therapeutic doses of acetaminophen (APAP; ≤6 g/d) is required. We characterize ALI with therapeutic doses of APAP and determine the host factors associated with disease severity and the predictors of outcome.

Approach and Results
All patients admitted with severe APAP‐related ALI in our center were included from 2002 to 2019, either attributable to therapeutic doses or overdose. ALI with therapeutic doses (ALITD) was defined as APAP intake <6 g/d. Overall, 311 of 400 patients with APAP‐related ALI had overdose and 89 had taken therapeutic doses. The host factors associated with ALITD were fasting ≥1 day (47.5% of ALITD patients vs. 26% in overdose; P = 0.001), excess drinking (93.3% vs. 48.5%; P < 0.0001), and repeated APAP use (4 vs. 1 day; P < 0.0001). Patients with ALITD were older (44 vs. 30.7 years; P < 0.0001) and had more severe liver injury. In the overall population, the independent predictors of disease severity were older age, longer duration of APAP, and excess drinking. Thirty‐day survival was lower in ALITD than in overdose (87.2 ± 3.6% vs. 94.6 ± 1.3%; P = 0.02). Age and the presence of at least one of the King’s College Hospital criteria were independent predictors of 30‐day survival whereas the pattern of drug intoxication, excess drinking, and bilirubin were not.

Conclusions
ALI with therapeutic doses of APAP is associated with more severe liver injury than overdose. It only occurs in patients with excess drinking and/or fasting. A warning should be issued about the repeated use of nontoxic doses of APAP in patients with those risk factors.
Cancer survivors’ experiences of an exercise program during treatment and while employed: A qualitative pilot study
Authors: Shaw Sally , Atkinson Katy , Jones Lynnette M. 
Published: December 2020

AbstractIssue addressedThis study examined breast cancer survivors’ (BCS) views on the role of exercise therapy while they were working in employment during cancer treatment.MethodsResearch was undertaken with five participants who undertook an exercise programme as adjuvant care during treatment for breast cancer. Four female and one male client, the only clients who met the criteria for study in the clinic, were interviewed twice each during a two‐month period. Participants wrote diaries to supplement the interview data and provide prompts for the second interview. An interpretive paradigm was used to identify themes for analysis. A multiple coding approach was used to interpret the data. The study was conducted at a small breast cancer recovery clinic, situated at a university in the South Island of New Zealand.ResultsParticipants reported that exercise was essential to their ability to work through the active treatment phase and provided positive effects on social, mental and emotional well‐being.ConclusionsExercise therapy is an important element of enabling to work during treatment, for physical, mental and social well‐being.So what?Future research is required on support for employers to enable exercise therapy for employees; the needs of self‐employed patients; tailoring exercise therapy for patients for whom social support is not a primary motivation; and the place of a clinic as a ‘middle‐ground’ between social and emotional support and an exercise clinic.
Hyperprogressive disease: A distinct pattern of progression to immune checkpoint inhibitors
Authors: Toki Maria I. , Syrigos Nikos , Syrigos Kostas 
Published: December 2020

AbstractHyperprogressive disease (HPD) is a novel pattern of progression attributed to immune checkpoint inhibitor (ICI) treatment and characterized by a dramatic tumor surge and poor survival. The concept of HPD is still controversial, while the definition varies widely across studies. Although HPD has been associated with multiple clinicopathological and molecular features, there is no biomarker to predict this detrimental effect of immunotherapy and the underlying mechanism remains unknown. The aim of this comprehensive review is to summarize current data on HPD and present the controversies and clinical care management challenges for oncologists treating patients with ICIs.
Cystic fibrosis F508del carriers and cancer risk: Results from the UK Biobank
Authors: Shi Zhuqing , Wei Jun , Na Rong , Resurreccion W. Kyle , Zheng S. Lilly , Hulick Peter J. , Helfand Brian T. , Talamonti Mark S. , Xu Jianfeng 
Published: December 2020

AbstractCystic fibrosis (CF) carriers carrying one defective copy of a CFTR germline mutation are common in the general population. A recent study reported associations of CF carriers with risk for cancers of digestive organs and pancreatic cancer. In the current study, we assessed associations of CFTR F508del carriers with the risk for 54 types of cancers in the UK Biobank, a large population‐based study. In Caucasians, compared to the carrier rate of 3.15% (12 357/392274) in noncancer subjects, the rate was significantly higher in cancer patients overall (2621/79619 = 3.29%), especially in patients with colorectal cancer (247/6667 = 3.70%), cancers of gallbladder and biliary tract (21/351 = 5.98%), thyroid cancer (30/665 = 4.51%) and unspecified non‐Hodgkin's lymphoma (74/1805 = 4.10%), all P ≤ .05. In contrast, the carrier rate in patients with cancers of lung and bronchus was significantly lower (89/3463 = 2.57%), P = .05. The association of CFTR F508del carriers with these types of cancer remained significant after adjusting for respective cancer‐specific risk factors. For pancreatic cancer, although a higher carrier rate (38/1004 = 3.78%) was found in patients with this cancer, the difference was not statistically significant (P = .26). This null association was unlikely due to lack of statistical power; the large sample size of our study had >80% power, at a significance level of .05, to detect an association of >1.5‐fold increased risk. In conclusion, the identified associations of CFTR F508del carriers with multiple types of cancer may have potential biological and clinical implications if confirmed in independent study populations.
Impact of COVID‐19 on psychosocial functioning of peripartum women: A qualitative study comprising focus group discussions and in‐depth interviews
Authors: Kumari Archana , Ranjan Piyush , Sharma K. Aparna , Sahu Anamika , Bharti Juhi , Zangmo Rinchen , Bhatla Neerja 
Published: December 2020

AbstractObjectivePeripartum is a period of profound hormonal changes in the body and COVID‐19 seems to have an additional impact on these women's psychosocial functioning. This calls for a need to address the psychosocial and behavioural impact of COVID‐19 on peripartum women's lives.MethodsThree focus group discussions and ten in‐depth interviews were conducted. A format to guide discussions and interviews was made to bring uniformity across groups and participants. Participants were recruited through purposive sampling. In verbatim transcription was done, followed by thematic analysis to extract key conceptual themes.ResultsFourteen pregnant and eleven postpartum women were included. The mean age was 28.5 years. Two major domains were identified: 1) the psychological domain including the categories of thoughts, emotions, and behaviour, and 2) the social domain comprising categories of relationships with family members and friends, perceived loss of social support, doctor‐patient relationship, and social determinants of health.ConclusionThe pandemic has indeed affected the psychosocial functioning of peripartum women. The study results might prove to be helpful for clinicians and mental health specialists who can suggest and develop different coping strategies for peripartum women during this pandemic.
Chronic Kidney Disease–Induced Vascular Calcification Impairs Bone Metabolism
Authors: Mace Maria L , Gravesen Eva , Nordholm Anders , Egstrand Soeren , Morevati Marya , Nielsen Carsten , Kjaer Andreas , Behets Geert , D'Haese Patrick , Olgaard Klaus , Lewin Ewa 
Published: December 2020

ABSTRACT
An association between lower bone mineral density (BMD) and presence of vascular calcification (VC) has been reported in several studies. Chronic kidney disease (CKD) causes detrimental disturbances in the mineral balance, bone turnover, and development of severe VC. Our group has previously demonstrated expression of Wnt inhibitors in calcified arteries of CKD rats. Therefore, we hypothesized that the CKD-induced VC via this pathway signals to bone and induces bone loss. To address this novel hypothesis, we developed a new animal model using isogenic aorta transplantation (ATx). Severely calcified aortas from uremic rats were transplanted into healthy rats (uremic ATx). Transplantation of normal aortas into healthy rats (normal ATx) and age-matched rats (control) served as control groups. Trabecular tissue mineral density, as measured by μCT, was significantly lower in uremic ATx rats compared with both control groups. Uremic ATx rats showed a significant upregulation of the mineralization inhibitors osteopontin and progressive ankylosis protein homolog in bone. In addition, we found significant changes in bone mRNA levels of several genes related to extracellular matrix, bone turnover, and Wnt signaling in uremic ATx rats, with no difference between normal ATx and control. The bone histomorphometry analysis showed significant lower osteoid area in uremic ATx compared with normal ATx along with a trend toward fewer osteoblasts as well as more osteoclasts in the erosion lacunae. Uremic ATx and normal ATx had similar trabecular number and thickness. The bone formation rate did not differ between the three groups. Plasma biochemistry, including sclerostin, kidney, and mineral parameters, were similar between all three groups. ex vivo cultures of aorta from uremic rats showed high secretion of the Wnt inhibitor sclerostin. In conclusion, the presence of VC lowers BMD, impairs bone metabolism, and affects several pathways in bone. The present results prove the existence of a vasculature to bone tissue cross-talk. © 2020 The Authors. Journal of Bone and Mineral Research published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research (ASBMR).