bluuebunny/crossref_metadata_2025_split huggingface dataset:
Recent Advances of Solid‐State NMR Spectroscopy for Microporous Materials
Authors: Li Shenhui , Lafon Olivier , Wang Weiyu , Wang Qiang , Wang Xingxing , Li Yi , Xu Jun , Deng Feng 
Published: September 2020

AbstractMicroporous materials have attracted a rapid growth of research interest in materials science and the multidisciplinary area because of their wide applications in catalysis, separation, ion exchange, gas storage, drug release, and sensing. A fundamental understanding of their diverse structures and properties is crucial for rational design of high‐performance materials and technological applications in industry. Solid‐state NMR (SSNMR), capable of providing atomic‐level information on both structure and dynamics, is a powerful tool in the scientific exploration of solid materials. Here, advanced SSNMR instruments and methods for characterization of microporous materials are briefly described. The recent progress of the application of SSNMR for the investigation of microporous materials including zeolites, metal–organic frameworks, covalent organic frameworks, porous aromatic frameworks, and layered materials is discussed with representative work. The versatile SSNMR techniques provide detailed information on the local structure, dynamics, and chemical processes in the confined space of porous materials. The challenges and prospects in SSNMR study of microporous and related materials are discussed.
Surface Submillimeter Papillae Enhanced Mechanical Property of Membrane
Authors: Wang Lei , Zhao Feng , Li Peiliu , Li Lei , Liu Jing 
Published: September 2020

AbstractThe surface topographies of natural surfaces play significant roles for improving the ability to adapt to the environment. The micropapilla of lotus leaf is always used to enhance its self‐cleaning performance. However, the function of the submillimeter papilla of lotus has not been well studied. In this study, it is found that the optimal distribution of submillimeter papilla can effectively prevent the rupture of lotus leaf. Under loading, the submillimeter papilla transfers the stress into its root region, which effectively keeps the leaf broadly intact and collaborates to realize relative functions with micropapilla. Further study by integrating the simulations and biofabricated membrane with artificial submillimeter papilla indicates the contribution of submillimeter papilla on the mechanical property. This study opens a novel avenue for designing strength membrane materials, which has potential applications in the fields of soft robot, electronic device, and packaging.
Incorporating Transition‐Metal Phosphides Into Metal‐Organic Frameworks for Enhanced Photocatalysis
Authors: Sun Kang , Liu Meng , Pei Junzhe , Li Dandan , Ding Chunmei , Wu Kaifeng , Jiang Hai‐Long 
Published: September 2020

AbstractMetal‐organic frameworks (MOFs) have been shown to be an excellent platform in photocatalysis. However, to suppress electron–hole recombination, a Pt cocatalyst is usually inevitable, especially in photocatalytic H2 production, which greatly limits practical application. Herein, for the first time, monodisperse, small‐size, and noble‐metal‐free transitional‐metal phosphides (TMPs; for example, Ni2P, Ni12P5), are incorporated into a representative MOF, UiO‐66‐NH2, for photocatalytic H2 production. Compared with the parent MOF and their physical mixture, both TMPs@MOF composites display significantly improved H2 production rates. Thermodynamic and kinetic studies reveal that TMPs, behaving similar ability to Pt, greatly accelerate the linker‐to‐cluster charge transfer, promote charge separation, and reduce the activation energy of H2 production. Significantly, the results indicate that Pt is thermodynamically favorable, yet Ni2P is kinetically preferred for H2 production, accounting for the higher activity of Ni2P@UiO‐66‐NH2 than Pt@UiO‐66‐NH2.
A Carbocationic Triarylmethane‐Based Porous Covalent Organic Network
Authors: Freitas Sunny K. S. , Oliveira Felipe L. , dos Santos Thiago C. , Hisse Danilo , Merlini Claudia , Ronconi Célia M. , Esteves Pierre M. 
Published: September 2020

AbstractA thermally stable carbocationic covalent organic network (CON), named RIO‐70 was prepared from pararosaniline hydrochloride, an inexpensive dye, and triformylphloroglucinol in solvothermal conditions. This nanoporous organic material has shown a specific surface area of 990 m2 g−1 and pore size of 10.3 Å. The material has CO2 uptake of 2.14 mmol g−1 (0.5 bar), 2.7 mmol g−1 (1 bar), and 6.8 mmol g−1 (20 bar), the latter corresponding to 3 CO2 molecules adsorbed per pore per sheet. It is shown to be a semiconductor, with electrical conductivity (σ) of 3.17×10−7 S cm−1, which increases to 5.26×10−4 S cm−1 upon exposure to I2 vapor. DFT calculations using periodic conditions support the findings.
Study of lipoprotein(a) and its impact on atherosclerotic cardiovascular disease: Design and rationale of the Mass General Brigham Lp(a) Registry
Authors: Berman Adam N. , Biery David W. , Ginder Curtis , Hulme Olivia L. , Marcusa Daniel , Leiva Orly , Wu Wanda Y. , Singh Avinainder , Divakaran Sanjay , Hainer Jon , Turchin Alexander , Januzzi James L. , Natarajan Pradeep , Cannon Christopher P. , Di Carli Marcelo F. , Bhatt Deepak L. , Blankstein Ron 
Published: September 2020

AbstractLipoprotein(a) [Lp(a)] is independently associated with atherosclerotic cardiovascular disease and calcific aortic valve stenosis. Elevated Lp(a) affects approximately one in five individuals and meaningfully contributes to the residual cardiovascular risk in individuals with otherwise well‐controlled risk factors. With targeted therapies in the therapeutic pipeline, there is a need to further characterize the clinical phenotypes and outcomes of individuals with elevated levels of this unique biomarker. The Mass General Brigham Lp(a) Registry will be built from the longitudinal electronic health record of two large academic medical centers in Boston, Massachusetts, to develop a detailed cohort of patients who have had their Lp(a) measured. In combination with structured data sources, clinical documentation will be analyzed using natural language processing techniques to accurately characterize baseline characteristics. Important outcome measures including all‐cause mortality, cardiovascular mortality, and cardiovascular events will be available for analysis. Approximately 30 000 patients who have had their Lp(a) tested within the Mass General Brigham system from January 2000 to July 2019 will be included in the registry. This large Lp(a) cohort will provide meaningful observational data regarding the differential risk associated with Lp(a) values and cardiovascular disease. With a new frontier of targeted Lp(a) therapies on the horizon, the Mass General Brigham Lp(a) Registry will help provide a deeper understanding of Lp(a)'s role in long term cardiovascular outcomes.
Current meta‐analysis does not support the possibility of COVID‐19 reinfections
Authors: Arafkas Mohamed , Khosrawipour Tanja , Kocbach Piotr , Zielinski Kacper , Schubert Justyna , Mikolajczyk Agata , Celinska Maria , Khosrawipour Veria 
Published: September 2020

AbstractCoronavirus disease 2019 (COVID‐19) reinfections could be a major aggravating factor in this current pandemic, as this would further complicate potential vaccine development and help to maintain worldwide virus pockets. To investigate this critical question, we conducted a clinical meta‐analysis including all available currently reported cases of potential COVID‐19 reinfections. We searched for all peer‐reviewed articles in the search engine of the National Center for Biotechnology Information. While there are over 30,000 publications on COVID‐19, only about 15 specifically target the subject of COVID‐19 reinfections. Available patient data in these reports was analyzed for age, gender, time of reported relapse after initial infection and persistent COVID‐19 positive polymerase chain reaction (PCR) results. Following the first episode of infection, cases of clinical relapse are reported at 34 (mean) ± 10.5 days after full recovery. Patients with clinical relapse have persisting positive COVID‐19 PCR testing results until 39 ± 9 days following initial positive testing. For patients without clinical relapse, positive testing was reported up to 54 ± 24 days. There were no reports of any clinical reinfections after a 70‐day period following initial infection.
Suitable Camera and Rotation Navigation for People with Visual Impairment on Looking for Something Using Object Detection Technique
Authors: Iwamura Masakazu , Inoue Yoshihiko , Minatani Kazunori , Kise Koichi 
Published: September 2020

AbstractFor people with visual impairment, smartphone apps that use computer vision techniques to provide visual information have played important roles in supporting their daily lives. However, they can be used under a specific condition only. That is, only when the user knowswhere the object of interest is. In this paper, we first point out the fact mentioned above by categorizing the tasks that obtain visual information using computer vision techniques. Then, inlooking for somethingas a representative task in a category, we argue suitable camera systems and rotation navigation methods. In the latter, we propose novel voice navigation methods. As a result of a user study comprised of seven people with visual impairment, we found that (1) a camera with a wide field of view such as an omnidirectional camera was preferred, and (2) users have different preferences in navigation methods.
Adaptive User Interfaces for People with Cognitive Disabilities within the Easy Reading Framework
Authors: Heumader Peter , Miesenberger Klaus , Murillo-Morales Tomas 
Published: September 2020

AbstractAdaptive user interfaces are user interfaces that dynamically adapt to the users’ preferences and abilities. These user interfaces have great potential to improve accessibility of user interfaces for people with cognitive disabilities. However automatic changes to user interfaces driven by adaptivity are also in contradiction to accessibility guidelines, as consistence of user interfaces is of utmost importance for people with cognitive disabilities. This paper describes how such user interfaces are implemented within the Easy Reading framework, a framework to improve the accessibility of web-pages for people with cognitive disabilities.
Poisson-Lie T-duality of WZW model via current algebra deformation
Authors: Bascone Francesco , Pezzella Franco , Vitale Patrizia 
Published: September 2020

Abstract
Poisson-Lie T-duality of the Wess-Zumino-Witten (WZW) model having the group manifold of SU(2) as target space is investigated. The whole construction relies on the deformation of the affine current algebra of the model, the semi-direct sum $$ \mathfrak{su}(2)\left(\mathrm{\mathbb{R}}\right)\overset{\cdot }{\oplus}\mathfrak{a} $$
su

2

ℝ

⊕
⋅

a
, to the fully semisimple Kac-Moody algebra $$ \mathfrak{sl}\left(2,\mathrm{\mathbb{C}}\right)\left(\mathrm{\mathbb{R}}\right) $$
sl

2
ℂ

ℝ

. A two-parameter family of models with SL(2, ℂ) as target phase space is obtained so that Poisson-Lie T-duality is realised as an O(3, 3) rotation in the phase space. The dual family shares the same phase space but its configuration space is SB(2, ℂ), the Poisson-Lie dual of the group SU(2). A parent action with doubled degrees of freedom on SL(2, ℂ) is defined, together with its Hamiltonian description.
Lorentzian inversion and anomalous dimensions in Mellin space
Authors: Shyani Milind 
Published: September 2020

Abstract
In this note, we derive a Mellin space version of the Lorentzian inversion formula for CFTs by explicitly integrating over the cross-ratios in d = 2 and d = 4 spacetime dimensions. We use the simplicity of the Mellin representation of Witten diagrams and the double discontinuity to find the OPE coefficients and anomalous dimensions of double- trace primaries in large N CFTs to order $$ \frac{1}{N^4} $$

1

N
4

. We find that our results match analytically at order $$ \frac{1}{N^2} $$

1

N
2

, and numerically at order $$ \frac{1}{N^4} $$

1

N
4

with existing literature.
Talar OsteoPeriostic grafting from the Iliac Crest (TOPIC) for large medial talar osteochondral defects
Authors: Kerkhoffs G. M. M. J. , Altink J. N. , Stufkens S. A. S. , Dahmen J. 
Published: September 2020

Abstract
Objective
Provision of a natural scaffold, good quality cells, and growth factors in order to facilitate the replacement of the complete osteochondral unit with matching talar curvature for large medial primary and secondary osteochondral defects of the talus.

Indications
Symptomatic primary and secondary medial osteochondral defects of the talus not responding to conservative treatment; anterior–posterior or medial–lateral diameter >10 mm on computed tomography (CT); closed distal tibial physis in young patients.

Contraindications
Tibiotalar osteoarthritis grade III; multiple osteochondral defects on the medial, central, and lateral talar dome; malignancy; active infectious ankle joint pathology.

Surgical technique
A medial distal tibial osteotomy is performed, after which the osteochondral defect is excised in toto from the talar dome. The recipient site is microdrilled in order to disrupt subchondral bone vessels. Then, the autograft is harvested from the ipsilateral iliac crest with an oscillating saw, after which the graft is adjusted to an exact fitting shape to match the extracted osteochondral defect and the talar morphology as well as curvature. The graft is implanted with a press-fit technique after which the osteotomy is reduced with two 3.5 mm lag screws and the incision layers are closed. In cases of a large osteotomy, an additional third tubular buttress plate is added, or a third screw at the apex of the osteotomy.

Postoperative management
Non-weight bearing cast for 6 weeks, followed by another 6 weeks with a walking boot. After 12 weeks, a CT scan is performed to assess consolidation of the osteotomy and the inserted autograft. The patient is referred to a physiotherapist.

Results
Ten cases underwent the TOPIC procedure, and at 1 year follow-up all clinical scores improved. Radiological outcomes showed consolidation of all osteotomies and all inserted grafts showed consolidation. Complications included one spina iliaca anterior avulsion and one hypaesthesia of the saphenous nerve; in two patients the fixation screws of the medial malleolar osteotomy were removed.
Das Data Monitoring Committee – State of the Art und Perspektiven für die Zukunft
Authors: Fischer Thomas 
Published: September 2020

Zusammenfassung
Hintergrund
Die klassische randomisierte und kontrollierte klinische Prüfung steht mit komplexen Studiendesigns und Disease-Interception-Konzepten vor neuen Herausforderungen. Dabei können Data Monitoring Committees (Datenüberwachungskomitees [DMCs]) eine zentrale Funktion übernehmen, wenn eine fachgerechte Integration in den methodischen Ablauf der klinischen Prüfungen erfolgt. Vor diesem Hintergrund haben die zuständige Bundesoberbehörde und die zuständige Ethikkommission im impliziten/expliziten Genehmigungsverfahren zu überprüfen, ob eine substanzielle Charta die Arbeitsweise des unabhängigen Gremiums abbildet.

Ziel
Es wurde der Frage nachgegangen, mit welchen Häufigkeiten und Gegebenheiten DMCs in klinischen Prüfungen eingesetzt werden.

Methode
Die Datenbank des Bundesinstituts für Arzneimittel und Medizinprodukte (BfArM) bildet die Grundlage für eine Datenanalyse hinsichtlich Häufigkeiten der Implementierung von Data Monitoring Committees unter verschiedenen Kriterien über einen Beobachtungszeitraum von mehr als 15 Jahren.

Ergebnisse
Bei insgesamt 14.135 klinischen Prüfungen mit Arzneimitteln wurde 4152 DMCs eingesetzt. Das unabhängige Expertengremium wurde überwiegend von kommerziellen Sponsoren in der Phase III der klinischen Entwicklung integriert. Die Ethikkommissionen waren mit unterschiedlichen absoluten Häufigkeiten eingebunden.

Diskussion
Die Sponsoren zeigen eine zunehmende Bereitschaft, DMCs in die methodische Durchführung von klinischen Prüfungen, insbesondere bei neuartigen Studiendesigns, zu integrieren. DMCs können eine wichtige wissenschaftliche Unterstützung sein, um die Implikationen des Coronavirus SARS-CoV‑2 auf klinische Prüfungen zu beurteilen.
Machine learning and optimization for production rescheduling in Industry 4.0
Authors: Li Yuanyuan , Carabelli Stefano , Fadda Edoardo , Manerba Daniele , Tadei Roberto , Terzo Olivier 
Published: September 2020

AbstractAlong with the fourth industrial revolution, different tools coming from optimization, Internet of Things, data science, and artificial intelligence fields are creating new opportunities in production management. While manufacturing processes are stochastic and rescheduling decisions need to be made under uncertainty, it is still a complicated task to decide whether a rescheduling is worthwhile, which is often addressed in practice on a greedy basis. To find a tradeoff between rescheduling frequency and the growing accumulation of delays, we propose a rescheduling framework, which integrates machine learning (ML) techniques and optimization algorithms. To prove the effectiveness, we first model a flexible job-shop scheduling problem with sequence-dependent setup and limited dual resources (FJSP) inspired by an industrial application. Then, we solve the scheduling problem through a hybrid metaheuristic approach. We train the ML classification model for identifying rescheduling patterns. Finally, we compare its rescheduling performance with periodical rescheduling approaches. Through observing the simulation results, we find the integration of these techniques can provide a good compromise between rescheduling frequency and scheduling delays. The main contributions of the work are the formalization of the FJSP problem, the development of ad hoc solution methods, and the proposal/validation of an innovative ML and optimization-based framework for supporting rescheduling decisions.
Structure-dependent genotoxic potencies of selected pyrrolizidine alkaloids in metabolically competent HepG2 cells
Authors: Rutz Lukas , Gao Lan , Küpper Jan-Heiner , Schrenk Dieter 
Published: September 2020

Abstract1,2-unsaturated pyrrolizidine alkaloids (PAs) are natural plant constituents comprising more than 600 different structures. A major source of human exposure is thought to be cross-contamination of food, feed and phytomedicines with PA plants. In humans, laboratory and farm animals, certain PAs exert pronounced liver toxicity and can induce malignant liver tumors in rodents. Here, we investigated the cytotoxicity and genotoxicity of eleven PAs belonging to different structural classes. Although all PAs were negative in the fluctuation Ames test in Salmonella, they were cytotoxic and induced micronuclei in human HepG2 hepatoblastoma cells over-expressing human cytochrome P450 3A4. Lasiocarpine and cyclic diesters except monocrotaline were the most potent congeners both in cytotoxicity and micronucleus assays with concentrations below 3 μM inducing a doubling in micronuclei counts. Other open di-esters and all monoesters exhibited weaker or much weaker geno- and cytotoxicity. The findings were in agreement with recently suggested interim Relative Potency (iREP) factors with the exceptions of europine and monocrotaline. A more detailed micronuclei analysis at low concentrations of lasiocarpine, retrorsine or senecionine indicated that pronounced hypolinearity of the concentration–response curves was evident for retrorsine and senecionine but not for lasiocarpine. Our findings show that the genotoxic and cytotoxic potencies of PAs in a human hepatic cell line vary in a structure-dependent manner. Both the low potency of monoesters and the shape of prototype concentration–response relationships warrant a substance- and structure-specific approach in the risk assessment of PAs.
Virtual screening of potentially endocrine-disrupting chemicals against nuclear receptors and its application to identify PPARγ-bound fatty acids
Authors: Jaladanki Chaitanya K. , He Yang , Zhao Li Na , Maurer-Stroh Sebastian , Loo Lit-Hsin , Song Haiwei , Fan Hao 
Published: September 2020

AbstractNuclear receptors (NRs) are key regulators of energy homeostasis, body development, and sexual reproduction. Xenobiotics binding to NRs may disrupt natural hormonal systems and induce undesired adverse effects in the body. However, many chemicals of concerns have limited or no experimental data on their potential or lack-of-potential endocrine-disrupting effects. Here, we propose a virtual screening method based on molecular docking for predicting potential endocrine-disrupting chemicals (EDCs) that bind to NRs. For 12 NRs, we systematically analyzed how multiple crystal structures can be used to distinguish actives and inactives found in previous high-throughput experiments. Our method is based on (i) consensus docking scores from multiple structures at a single functional state (agonist-bound or antagonist-bound), (ii) multiple functional states (agonist-bound and antagonist-bound), and (iii) multiple pockets (orthosteric site and alternative sites) of these NRs. We found that the consensus enrichment from multiple structures is better than or comparable to the best enrichment from a single structure. The discriminating power of this consensus strategy was further enhanced by a chemical similarity-weighted scoring scheme, yielding better or comparable enrichment for all studied NRs. Applying this optimized method, we screened 252 fatty acids against peroxisome proliferator-activated receptor gamma (PPARγ) and successfully identified 3 previously unknown fatty acids with Kd = 100–250 μM including two furan fatty acids: furannonanoic acid (FNA) and furanundecanoic acid (FUA), and one cyclopropane fatty acid: phytomonic acid (PTA). These results suggested that the proposed method can be used to rapidly screen and prioritize potential EDCs for further experimental evaluations.
A robust equatorial Pacific westerly response to tropical volcanism in multiple models
Authors: Chai Jing , Liu Fei , Xing Chen , Wang Bin , Gao Chaochao , Liu Jian , Chen Deliang 
Published: September 2020

AbstractAfter each of the 1963 Agung, 1982 El Chichón, and 1991 Pinatubo eruptions, an El Niño was observed. The increased likelihood of an El Niño after a tropical eruption has also been found in long-term reconstructed proxy data. Through examining simulations over the last millennium by 11 different models, we show that a tropical volcano eruption can robustly excite a western-to-central equatorial Pacific (WCEP) westerly anomaly at 850 hPa in eight out of the 11 models; such a westerly anomaly is favorable for El Niño development. Under the volcanic forcing, there are significant extratropical continent surface cooling and tropical drying with negative precipitation anomalies over the South–South East Asia (SSEA), West African monsoon, and Intertropical Convergence Zone (ITCZ) regions. This common precipitation suppression response occurs in most of the models. Sensitivity experiments show that a WCEP westerly anomaly can be excited by the tropical land cooling, especially the SSEA cooling induced precipitation suppression rather than by the extratropical land surface cooling. Theoretical results show that a WCEP westerly anomaly is excited due to a Gill response to reduced precipitation over the SSEA and West African monsoon regions; and the SSEA contributes more than the West African monsoon does. The ITCZ weakening, however, excites an easterly wind anomaly. The models with more sensitive convective feedback tend to simulate an El Niño more easily, while a failed simulation of an El Niño after a robust westerly anomaly in some models calls for further studies on these models’ delayed responses to radiative forcing induced by volcano eruptions.