bluuebunny/crossref_metadata_2025_split huggingface dataset:
Covid‐19 in patients with hematological and solid cancers at a Comprehensive Cancer Center in Germany
Authors: Shoumariyeh Khalid , Biavasco Francesca , Ihorst Gabriele , Rieg Siegbert , Nieters Alexandra , Kern Winfried V. , Miething Cornelius , Duyster Justus , Engelhardt Monika , Bertz Hartmut 
Published: September 2020

AbstractBackgroundPatients with cancer are considered a high‐risk group for viral pneumonia, with an increased probability of fatal outcome. Here, we investigated the clinical characteristics and outcome of patients with solid and hematological cancers and concomitant Covid‐19 at a Comprehensive Cancer Center in a Covid‐19 hotspot area in Germany.MethodsWe performed a retrospective single center cohort study of 39 patients with hematological and solid cancers who were hospitalized at the University Hospital Freiburg for Covid‐19. Using univariate and multivariate Cox regression models we compared time to severe events and overall survival to an age‐matched control cohort of 39 patients with confirmed Covid‐19 without a cancer diagnosis.ResultsIn the cancer cohort 29 patients had a diagnosis of a solid tumor, and 10 had a hematological malignancy. In total, eight patients (21%) in the cancer and 14 patients (36%) from the noncancer cohort died during the observation period. Presence of a malignancy was not significantly associated with survival or time to occurrence of severe events. Major influences on mortality were high IL‐6 levels at Covid‐19 diagnosis (HR = 6.95, P = .0121) and age ≥ 65 years (HR = 6.22, P = .0156).ConclusionsCompared to an age‐matched noncancer cohort, we did not observe an association between a cancer diagnosis and a more severe disease course or higher fatality rate in patients with Covid‐19. Patients with a hematological malignancy showed a trend towards a longer duration until clinical improvement and longer hospitalization time compared to patients with a solid cancer. Cancer per se does not seem to be a confounder for dismal outcome in Covid‐19.
3D face modeling from single image based on discrete shape space
Authors: Zhang Dan , Lv Chenlei , Liu Na , Wu Zhongke , Wang Xingce 
Published: September 2020

AbstractIn this article, we propose a novel 3D face modeling method which constructs a new 3D face model from a low‐dimensional feature space consisted of a large set of blend shapes based on the discrete shape space theory. The details of original face features are completely retained during the modeling process and a large number of new natural faces are constructed by several face samples. The optimization process of our method is independently decoupled for different facial attributes (identity, expression, and head pose), which improves the application flexibility and reduces the probability of it falling into a local optimal situation. The new facial data with new attributes are constructed based on the geodesic path search in discrete shape space with sufficient freedom and accuracy. In experiments and applications based on public databases (Helen, LFW, and CUFS), the modeling results show our method can provide high‐quality 3D face model, with enough freedom for face expression editing and natural facial expression animation from a small facial sample set.
Core‐crown Quantum Nanoplatelets with Favorable Type‐II Heterojunctions Boost Charge Separation and Photocatalytic NO Oxidation on TiO2
Authors: Ebrahimi Elnaz , Irfan Muhammad , Shabani Farzan , Kocak Yusuf , Karakurt Bartu , Erdem Emre , Demir Hilmi Volkan , Ozensoy Emrah 
Published: September 2020

AbstractFunctionalization of TiO2 (P25) with oleic acid‐capped CdSe(core)/CdSeTe(crown) quantum‐well nanoplatelets (NPL) yielded remarkable activity and selectivity toward nitrate formation in photocatalytic NOx oxidation and storage (PHONOS) under both ultraviolet (UV‐A) and visible (VIS) light irradiation. In the NPL/P25 photocatalytic system, photocatalytic active sites responsible for the NO(g) photo‐oxidation and NO2 formation reside mostly on titania, while the main function of the NPL is associated with the photocatalytic conversion of the generated NO2 into the adsorbed NO3− species, significantly boosting selectivity toward NOx storage. Photocatalytic improvement in NOx oxidation and storage upon NPL functionalization of titania can also be associated with enhanced electron‐hole separation due to a favorable Type‐II heterojunction formation and photo‐induced electron transfer from the CdSeTe crown to the CdSe core of the quantum well system, where the trapped electrons in the CdSe core can later be transferred to titania. Re‐usability of NPL/P25 system was also demonstrated upon prolonged use of the photocatalyst, where NPL/P25 catalyst surpassed P25 benchmark in all tests.
A Cp‐based Molybdenum Catalyst for the Deoxydehydration of Biomass‐derived Diols
Authors: Li Jing , Lutz Martin , Klein Gebbink Robertus J. M. 
Published: September 2020

AbstractDioxo‐molybdenum complexes have been reported as catalysts for the deoxydehydration (DODH) of diols and polyols. Here, we report on the DODH of diols using [Cp*MoO2]2O as catalyst (Cp*=1,2,3,4,5‐pentamethylcyclopentadienyl). The DODH reaction was optimized using 2 mol % of [Cp*MoO2]2O, 1.1 equiv. of PPh3 as reductant, and anisole as solvent. Aliphatic vicinal diols are converted to the corresponding olefins by [Cp*MoO2]2O in up to 65 % yield (representing over 30 turnovers per catalyst) and 91 % olefin selectivity, which rivals the performance of other Mo‐based DODH catalysts. Remarkably, cis‐1,2‐cyclohexanediol, which is known as quite a challenging substrate for DODH catalysis, is converted to 30 % of 1‐cyclohexene under optimized reaction conditions. Overall, the mass balances (up to 79 %) and TONs per Mo achievable with [Cp*MoO2]2O are amongst the highest reported for molecular Mo‐based DODH catalysts. A number of experiments aimed at providing insight in the reaction mechanism of [Cp*MoO2]2O have led to the proposal of a catalytic pathway in which the [Cp*MoO2]2O catalyst reacts with the diol substrate to form a putative nonsymmetric dimeric diolate species, which is reduced in the next step at only one of its Mo‐centers before extrusion of the olefin product.
Pd−Zn Alloy Nanoparticles Encapsulated into Mesoporous Silica with Confinement Effect for Highly Selective Semi‐Hydrogenation of Phenylacetylene
Authors: Li Zhenxing , Hu Mingliang , Liu Bowen , Liu Jiahao , Wang Ping , Yao Jiasai , Zhang Xin , He Miao , Song Weiyu 
Published: September 2020

AbstractIn the process of hydrogenation of phenylacetylene to styrene, it is a crucial step to improve the reaction selectivity of the target product styrene. Herein, we have designed the Pd−Zn alloy nanoparticles encapsulated into mesoporous silica with confinement effect (Pd−Zn@MS) for highly selective semi‐hydrogenation of phenylacetylene via annealing the Pd NPs@ZIF‐8 in reducing atmosphere. The as‐obtained Pd−Zn@MS achieved up to the 95 % of conversion rate and 92 % of selectivity, because the mesoporous silica exhibits a steric hindrance effect for the reactant molecular size, and the Pd−Zn alloy nanoparticles shows the high selectivity for the target product styrene. DFT calculations demonstrates that the PdZn alloy nanoparticles can reduce significantly the desorption energy barrier of styrene from 1.72 eV to 0.95 eV, compared with the Pd nanoparticles. Meanwhile the mesoporous silica in the outer layer greatly guarantees the stability of the catalytic performance of the catalyst, and the catalytic performance did not drop after the five‐cycle test. This work provides a new idea for the selective hydrogenation of phenylacetylene and the process of limited‐area catalysis.
Binding and electron pair – two binding models for chemistry lessons
Authors: Barke Hans‐Dieter 
Published: September 2020

AbstractIn der Chemie gibt es zwei äquivalente Beschreibungsweisen zum Sachverhalt „Zusammenhalt von Atomen in Molekülen“. Zum einen sind es mit Valenzstrichen gekennzeichnete Bindekräfte oder Bindefähigkeiten, zum anderen ebenfalls mit Strichen symbolisierte bindende oder freie Elektronenpaare. Um auch im Anfangsunterricht ohne das differenzierte Atommodell die Bindungen in Molekülen zu symbolisieren, werden Normbindefähigkeiten definiert, beispielsweise 4 für das C‐Atom in CH4‐Molekülen oder 2 für das O‐Atom in H2O‐Molekülen. Entsprechende historische und fachliche Grundlagen werden angeboten und für Unterrichtsvorschläge reflektiert.
What do ions do in electrolyte? On the trail of conductivity in experiments and digital materials
Authors: Lüke Dennis , Quarthal Dominik , Oetken Marco 
Published: September 2020

AbstractObwohl die Leitfähigkeit Schülerinnen und Schülern bereits im Anfangsunterricht begegnet, zeigen Untersuchungen, dass selbst nach dem Unterrichten der Elektrochemie Unsicherheiten dahingehend herrschen, welche Rolle Ionen in wässrigen Lösungen zukommt, wenn elektrischer Strom fließt. Zahlreiche Lernende sind sich der Ionenbewegung in Elektrolyten nicht bewusst und gehen vielmehr von Mechanismen aus, bei denen die Ionen Elektronen durch die Lösung transportieren.Um diesem Missstand fachunterrichtlich zu begegnen, braucht es Experimente, die die gerichtete Ionenbewegung sichtbar machen. Im Folgenden wird ein SchülerInnen‐Experiment vorgestellt, in dem Kondensatoreffekte genutzt werden, um ionische Farbstoffe auf Grundlage der Ionenbewegung sichtbar voneinander zu trennen. Ein Angebot zu digitalen ergänzenden Materialien für Ihren Unterricht finden Sie am Ende des Artikels.
ADVL1522: A phase 2 study of lorvotuzumab mertansine (IMGN901) in children with relapsed or refractory wilms tumor, rhabdomyosarcoma, neuroblastoma, pleuropulmonary blastoma, malignant peripheral nerve sheath tumor, or synovial sarcoma—A Children's Oncology Group study
Authors: Geller James I. , Pressey Joseph G. , Smith Malcolm A. , Kudgus Rachel A. , Cajaiba Mariana , Reid Joel M. , Hall David , Barkauskas Donald A. , Voss Stephen D. , Cho Steve Y. , Berg Stacey L. , Dome Jeffrey S. , Fox Elizabeth , Weigel Brenda J. 
Published: September 2020

BackgroundLorvotuzumab mertansine (IMGN901) is an antibody‐drug conjugate linking an antimitotic agent (DM1) to an anti‐CD56 antibody (lorvotuzumab). Preclinical efficacy has been noted in Wilms tumor, rhabdomyosarcoma, and neuroblastoma. Synovial sarcoma, malignant peripheral nerve sheath tumor (MPNST), and pleuropulmonary blastoma also express CD56. A phase 2 trial of lorvotuzumab mertansine was conducted to assess its efficacy, recommended phase 2 dose, and toxicities.MethodsEligible patients had relapsed after or progressed on standard therapy for their tumor type. Lorvotuzumab mertansine (110 mg/m2 per dose) was administered at the adult recommended phase 2 dose intravenously on days 1 and 8 of 21‐day cycles. Dexamethasone premedication was used. Pharmacokinetic samples, peripheral blood CD56‐positive cell counts, and tumor CD56 expression were assessed.ResultsSixty‐two patients enrolled. The median age was 14.3 years (range, 2.8‐29.9 years); 35 were male. Diagnoses included Wilms tumor (n = 17), rhabdomyosarcoma (n = 17), neuroblastoma (n = 12), synovial sarcoma (n = 10), MPNST (n = 5), and pleuropulmonary blastoma (n = 1). Five patients experienced 9 dose‐limiting toxicities: hyperglycemia (n = 1), colonic fistula (n = 1) with perforation (n = 1), nausea (n = 1) with vomiting (n = 1), increased alanine aminotransferase in cycle 1 (n = 2), and increased alanine aminotransferase in cycle 2 (n = 1) with increased aspartate aminotransferase (n = 1). Non–dose‐limiting toxicities (grade 3 or higher) attributed to lorvotuzumab mertansine were rare. The median values of the maximum concentration, half‐life, and area under the curve from zero to infinity for DM1 were 0.87 µg/mL, 35 hours, and 27.9 µg/mL h, respectively. Peripheral blood CD56+ leukocytes decreased by 71.9% on day 8. One patient with rhabdomyosarcoma had a partial response, and 1 patient with synovial sarcoma achieved a delayed complete response.ConclusionsLorvotuzumab mertansine (110 mg/m2) is tolerated in children at the adult recommended phase 2 dose; clinical activity is limited.
Modeling on virtual network embedding using reinforcement learning
Authors: Wang Cong , Zheng Fanghui , Zheng Guangcong , Peng Sancheng , Tian Zejie , Guo Yujia , Li Guorui , Yuan Ying 
Published: September 2020

SummaryIt is well known that virtual network (VN) embedding (VNE) aims to solve how to efficiently allocate physical resources to a VN. However, this issue has been proved to be an NP‐hard problem. Besides, as most of the existing approaches are based on heuristic algorithms, which is easy to fall into local optimal. To address the challenge, we formalize the problem as a mixed integer programming problem and propose a novel VNE method based on reinforcement learning in this article. And to solve the problem, we introduce a pointer network to generate virtual node mapping strategies through an attention mechanism, and design a reward function related to link resource consumption to build the connection between node mapping and link mapping stages of VNE. In addition, we present a policy gradient optimization mechanism to leverage the reward information obtained from the sampled solutions, and design an active search based process to automatically update the parameters of the neural network and to obtain near‐optimal embedding solution. The experimental results show that the proposed method can improve the performance in average physical node utilization and long‐term revenue to cost ratio comparing than that of the existing models.
Sustainability regulation and global corporate citizenship: A lesson (already) learned?
Authors: Carini Cristian , Rocca Laura , Veneziani Monica , Teodori Claudio 
Published: September 2020

AbstractThe European Directive 2014/95, in force in 2017, requires non‐financial information to all public interest entities with more than 500 employees. However, multinational companies as ‘global corporate citizen’ have already started to communicate sustainability disclosure, before the accounting regulation imperative. The paper studies the sustainability disclosure behaviour of a global multinational Company, Eni, an Italian Integrated Oil & Gas Listed Company. The aim is to examine the relationship between the ‘self‐regulation’ disclosure before the law and the forces within the company that drove that decision and the ex‐post disclosure after the regulation imperative. The analysis is conducted over the 2018–2011 period and considers all the annual reports (i.e., financial report and social, environmental or sustainability reports). The results state that ‘self‐regulation’ is guided by strategic legitimacy based on factors as corporate strategy, corporate identity and stakeholders' pressure while the accounting regulation represents a tool to summarize non‐financial data.
Theoretical Study of Transition‐Metal‐Modified Mo2CO2 MXene as a Catalyst for the Hydrogen Evolution Reaction
Authors: Gan Jinyu , Li Fuhua , Tang Yurong , Tang Qing 
Published: September 2020

AbstractThe 2D MXenes have attracted great recent attention as the electrocatalytic materials for hydrogen evolution reaction (HER). However, the activity and the modification strategy of the catalytic properties have not been firmly established yet. In this study, we performed density functional theory (DFT) calculations to investigate the stability and HER performance of functionalized Mo2C MXene. The Pourbaix diagram indicates the fully oxidized surface is the most stable state. The oxidized Mo2CO2 is electrically conductive, yet the surface HER activity is unsatisfactory owing to the strong first H adsorption. The doping of transition metals (TM) into the Mo lattice, however, leads to much more enhanced H adsorption and deteriorates the activity. Alternatively, the H binding can be effectively weakened and flexibly tuned by anchoring the TM atoms over the surface with appropriate coverage, and Mn/Fe decoration at 12.5 % ML (monolayer) coverage is identified as the promising candidates with close to zero Gibbs free energy of H adsorption (ΔGH*) for the first H adsorption. The weakening effect arises from charge transfer from TM to surface O, resulting in increased occupancy and weakened O−H bonds. Furthermore, contrary to the weakening effect, the tensile strain leads to enhanced O−H binding by the up‐shifted Op electronic states, which can further modulate the HER performance of TM‐modified Mo2CO2. The synergistic effect between TM modification and strain engineering offers beneficial advantages for the realization of efficient electrochemical HER, which can be applied to other MXenes for electronic and catalytic applications.
Equine metabolism of the selective androgen receptor modulator AC‐262536 in vitro and in urine, plasma and hair following oral administration
Authors: Cutler Charlotte , Viljanto Marjaana , Taylor Polly , Habershon‐Butcher Jocelyn , Muir Tessa , Biddle Simon , Van Eenoo Peter 
Published: September 2020

AbstractAC‐262536 is one of a number of selective androgen receptor modulators that are being developed by the pharmaceutical industry for treatment of a range of clinical conditions including androgen replacement therapy. Though not available therapeutically, selective androgen receptor modulators are widely available to purchase online as (illegal) supplement products. The growth‐ and bone‐promoting effects, along with fewer associated negative side effects compared with anabolic–androgenic steroids, make these compounds a significant threat with regard to doping control in sport. The aim of this study was to investigate the metabolism of AC‐262536 in the horse following in vitro incubation and oral administration to two Thoroughbred horses, in order to identify the most appropriate analytical targets for doping control laboratories. Urine, plasma and hair samples were collected and analysed for parent drug and metabolites. Liquid chromatography–high‐resolution mass spectrometry was used for in vitro metabolite identification and in urine and plasma samples. Nine phase I metabolites were identified in vitro; four of these were subsequently detected in urine and three in plasma, alongside the parent compound in both matrices. In both urine and plasma samples, the longest detection window was observed for an epimer of the parent compound, which is suggested as the best target for detection of AC‐262536 administration. AC‐262536 and metabolites were found to be primarily glucuronide conjugates in both urine and plasma. Liquid chromatography–tandem mass spectrometry analysis of post‐administration hair samples indicated incorporation of parent AC‐262536 into the hair following oral administration. No metabolites were detected in the hair.
Effect of sacubitril/valsartan on renal function: a systematic review and meta‐analysis of randomized controlled trials
Authors: Spannella Francesco , Giulietti Federico , Filipponi Andrea , Sarzani Riccardo 
Published: September 2020

AbstractA worsening renal function is prevalent among patients with cardiovascular disease, especially heart failure (HF). Sacubitril/valsartan appears to prevent worsening of renal function and progression of chronic kidney disease (CKD) as compared with renin–angiotensin system (RAS) inhibitors alone in HF patients. It is unclear whether these advantages are present in HF patients only, or can be extended to other categories of patients, in which this drug was studied. We performed a systematic review and meta‐analysis to assess the consistency of effect size regarding renal outcome across randomized controlled trials (RCTs) that compared sacubitril/valsartan with RAS inhibitors in patients with or without HF. We searched Medline (PubMed), Scopus, and Thomson Reuters Web of Science databases until June 2020. We took into account RCTs that compared sacubitril/valsartan with a RAS inhibitor and reported data regarding renal function. We used random‐effects models to obtain summary odds ratio (OR) with 95% confidence interval (CI). We extracted hazard ratios for renal outcomes, glomerular filtration rate slopes or rates of renal adverse events. Sensitivity analyses were performed by moderator analysis and random‐effects meta‐regression. The search revealed 10 RCTs (published between 2012 and 2019) on 16 456 subjects. Sacubitril/valsartan resulted in a lower risk of renal dysfunction as compared with RAS inhibitors alone [k = 10; pooled OR = 0.70 (95% CI 0.57–0.85); P < 0.001], with a moderate inconsistency between studies [Q(9) = 15.18; P = 0.086; I2 = 40.73%]. A stronger association was found in studies including older patients (k = 10; β = −0.047730; P = 0.020) or HF patients with preserved ejection fraction [pooled OR = 0.53 (0.41–0.68) vs. 0.76 (0.57–1.01) for studies on HF patients with reduced ejection fraction; P for comparison = 0.065]. The effect size did not change with different comparators (angiotensin‐converting enzyme inhibitors vs. angiotensin II type 1 receptor blockers, P = 0.279). No significant association was found when the analysis was restricted to studies on non‐HF patients [k = 3; pooled OR = 0.86 (0.61–1.22); P = 0.403] and studies with high risk of bias [k = 3; pooled OR = 0.34 (0.08–1.44); P = 0.143]. Our findings support the role of sacubitril/valsartan on preservation of renal function, especially in older patients and HF patients with preserved ejection fraction. However, evidence is currently limited to HF patients, while the renal outcome of sacubitril/valsartan therapy outside the HF setting needs to be further investigated.
Practical energy densities, cost, and technical challenges for magnesium‐sulfur batteries
Authors: Razaq Rameez , Li Ping , Dong Yulong , Li Yao , Mao Ya , Bo Shou‐Hang 
Published: September 2020

AbstractAmid burgeoning environmental concerns, electrochemical energy storage has rapidly gained momentum. Among the contenders in the “beyond lithium” energy storage arena, the magnesium‐sulfur (Mg/S) battery has emerged as particularly promising, owing to its high theoretical energy density. However, the gap between fundamental research and practical application is still hindering the commercialization of Mg/S batteries. Here, through reviewing the recent developments of Mg/S batteries technologies, especially with respect to energy density and cost, we present the primary technical challenges on both materials and device level to surpass the energy density and cost‐effectiveness of lithium‐ion battery. While the high electrolyte‐sulfur ratio and the expensive liquid electrolyte are significantly limiting the practical application of Mg/S batteries, we found that solid‐state Mg electrolyte appears to be a feasible solution on the basis of energy density and cost evaluation.image