bluuebunny/crossref_metadata_2025 huggingface dataset:
Wettability Engineering for Studying Ion Transport in 2D Layered Materials
Authors: Kühne Matthias , Zhao Dong , Zschieschang Ute , Buck Regina , Müller Michaela , Klauk Hagen , Smet Jurgen H.
Published: November 2020

Layered materials are widely used for their capacity to incorporate and store foreign ionic species. It has become possible to exploit this process at the level of single crystals consisting of individual atomic layers: 2D materials and their van der Waals heterostructures. Due to the small size of available high‐quality specimen, however, it remains challenging to probe ion transport and storage in these systems. To promote future advances in this field, wettability engineering is introduced as a strategy for the on‐chip integration of electrolytes with micrometer‐sized samples of 2D materials. Contact angles are systematically measured for a variety of electrolyte–surface couples to identify a rational device design, and engineer lateral contrasts in surface chemistry to control the rims of drop cast electrolytes with micrometer precision. This allows covering single crystalline flakes of 2D materials only partially, leaving most of the sample surface uncovered and imposing directionality on ion transport. Wettability engineering is used to fabricate few‐layer graphene electrochemical micro two‐compartment cells that display chemical diffusion of lithium on the order of 10−8 cm2 s−1. While the approach is transferrable to other 2D materials and ionic species, it can also benefit device design for the study of nonlocal electrolyte gating effects.
Toward Efficient and Stable Perovskite Solar Cells by 2D Interface Energy Band Alignment
Authors: Wang Weiwei , Su Zhenhuang , Sun Bo , Tao Lei , Gu Hao , Hui Wei , Wei Qi , Shi Wei , Gao Xingyu , Xia Yingdong , Chen Yonghua
Published: November 2020

Interfacial engineering is essential for facilitating carrier separation, charge extraction, and enhancing the stability in organic–inorganic perovskite solar cells (PSCs). Herein, a facile and effective method is demonstrated not only to tune the electronic performance of electron transporting layer (ETL) but also to passivate the defects at the interface between the ETL and perovskite. On the top of the tin(IV) oxide (SnO2) ETL, butylammonium chloride (BACl) and lead(II) iodide (PbI2) are introduced as interface to modify the ETL/perovskite interface. The PSCs with interface modified exhibit a power conversion efficiency (PCE) of 21.15%, compared to 18.33% for the device without interface modified. Such enhancement in efficiency is mainly attributed to a better energy band alignment, and the quality of perovskite films is improved through the interface modification, thus enhancing photogenerated charge extraction and leading to low charge carrier recombination at the interface of ETL/perovskite. Furthermore, the device with interface modified exhibits significant stability. This work provides an alternative strategy on the ETL/perovskite interface to obtain highly stable and efficient PSCs.
A 3D Printed Morphing Nozzle to Control Fiber Orientation during Composite Additive Manufacturing
Authors: Armstrong Connor D. , Todd Noah , Alsharhan Abdullah T. , Bigio David I. , Sochol Ryan D.
Published: November 2020

Fiber‐filled composite materials offer a unique pathway to enable new functionalities for systems built via extrusion‐based additive manufacturing (or “3D printing”); however, challenges remain in controlling the fiber orientations that govern ultimate performance. In this work, a multi‐material, shape‐changing nozzle—constructed by means of PolyJet 3D printing—is presented that allows for the spatial distribution of short fibers embedded in polymer matrices to be modulated on demand throughout extrusion‐based deposition processes. Specifically, the nozzle comprises flexible bladders that can be inflated pneumatically to alter the geometry of the material extrusion channel from a straight to a converging–diverging configuration, and in turn, the directional orientation of fibers within printed filaments. Experimental results for printing carbon microfiber‐hydrogel composites reveal that increasing the nozzle actuation pressure from 0 to 100 kPa reduced the proportion of aligned fibers, and notably, prompted a transition from anisotropic to isotropic water‐induced swelling properties (i.e., the ratio of transverse to longitudinal swelling strain decreased from 1.73 ± 0.37 to 0.93 ± 0.39, respectively). In addition, dynamically varying the nozzle geometry during the extrusion of continuous composite filaments effects distinct swelling behaviors in adjacent regions, suggesting potential utility of the presented approach for emerging “4D printing” applications.
New pyrazole‐4‐carbothioamide‐based metal complexes: Synthesis, spectral characterization, computational, antimicrobial, and antitumor investigations
Authors: Ramadan Ahmed M. , Elsamra Rehab M.I. , Bondock Samir
Published: November 2020

A series of 5‐hydroxy‐4‐(N‐substituted carbothioamide) pyrazole derivatives (HL1–HL5) and their iron(III), nickel(II), and copper(II) complexes have been synthesized. Structural elucidations of the isolated ligands and their complexes are basically accomplished by FT‐IR, 1H NMR, 13C NMR, UV–Vis, ESR, MS, and thermogravimetric analysis (TGA). The analytical data propose the stoichiometries 1:3 (M:L) for Fe(III) and 2:3 for both Ni(II) and Cu(II) complexes. The spectral data substantiate the bidentate coordination mode for all ligands towards metal ions via S and O atoms of CS of the carbothioamide group at pyrazole‐C4 and OH group at C(5) where deprotonation occurs from the enolic tautomer on chelation. Likewise, bidentate pattern of a bridged acetate group is confirmed in the case of Ni(II) and Cu(II) complexes. The magnetic moment values validate high spin octahedral geometry for Fe(III) complexes whereas the diamagnetic feature of Ni(II) complexes is in conformity with the square planar symmetry of low spin state. ESR spectra of all Cu(II) complexes support their existence in distorted square planar geometry with a considerable electron exchange between two copper ion centers of dinuclear type. TGA and DTG analysis of six complexes display their considerable thermal stability. Besides, the in vitro biological screening effects of some selected compounds are tested against various human pathogen microorganisms. Among the ligands, HL5 exhibits the greatest antibacterial activity against two Gram‐positive species (Bacillus subtilis and Staphylococcus aureus) and one Gram‐negative (Proteus vulgaris) in comparison with gentamicin drug. Furthermore, IC50 values of [Cu2(L5)3(OAc)] complex reveal its significant anticancer activity against the three tumor cell lines HCT‐116, MCF‐7, and HepG‐2 compared with imatinib and cisplatin as positive controls. Finally, the optimized structures of all ligands and their molecular electrostatic potential surfaces are established by utilizing density functional theory (DFT).
Biocomposite scaffolds for 3D cell culture: Propolis enriched polyvinyl alcohol nanofibers favoring cell adhesion
Authors: Bilginer Rumeysa , Ozkendir‐Inanc Dilce , Yildiz Umit Hakan , Arslan‐Yildiz Ahu
Published: November 2020

The objective of this work is generation of propolis/polyvinyl alcohol (PVA) scaffold by electrospinning for 3D cell culture. Here, PVA used as co‐spinning agent since propolis alone cannot be easily processed by electrospinning methodology. Propolis takes charge in maximizing biological aspect of scaffold to facilitate cell attachment and proliferation. Morphological analysis showed size of the electrospun nanofibers varied between 172–523 nm and 345–687 nm in diameter, for non‐crosslinked and crosslinked scaffolds, respectively. Incorporation of propolis resulted in desired surface properties of hybrid matrix, where hybrid scaffolds highly favored protein adsorption. To examine cell compatibility, NIH‐3T3 and HeLa cells were seeded on propolis/PVA hybrid scaffold. Results confirmed that integration of propolis supported cell adhesion and cell proliferation. Also, results indicated electrospun propolis/PVA hybrid scaffold provide suitable microenvironment for cell culturing. Therefore, developed hybrid scaffold could be considered as potential candidate for 3D cell culture and tissue engineering.
Poly(vinylidene fluoride)/thermoplastic polyurethane flexible and 3D printable conductive composites
Authors: Bertolini Mayara C. , Dul Sithiprumnea , Barra Guilherme M. O. , Pegoretti Alessandro
Published: November 2020

This work focus on the development of polymeric blends to produce multifunctional materials for 3D printing with enhanced electrical and mechanical properties. In this context, flexible and highly conductive materials comprising poly(vinylidene fluoride)/thermoplastic polyurethane (PVDF/TPU) filled with carbon black‐polypyrrole (CB‐PPy) were prepared by compression molding, filament extrusion and fused filament fabrication. In order to achieve an optimal compromise between electrical conductivity, mechanical properties and printability, blends composition was optimized and different CB‐PPy content were added. Overall, the electrical conductivities of PVDF/TPU 50/50 vol% co‐continuous blend were higher than those found for PVDF/TPU 50/50 wt% (i.e., 38/62 vol%) composites at same filler content. PVDF/TPU/CB‐PPy 3D printed samples with 6.77 vol% filler fraction presented electrical conductivity of 4.14 S m−1 and elastic modulus, elongation at break and maximum tensile stress of 0.43 GPa, 10.3% and 10.0 MPa, respectively. These results highlight that PVDF/TPU/CB‐PPy composites are promising materials for technological applications.
Influence of Neighborhood Environment on Physical Activity Participation among Children with Autism Spectrum Disorder
Authors: Fiscella Nicole A. , Case Layne K. , Jung Jaehun , Yun Joonkoo
Published: November 2020

Despite the positive influence of environmental factors on physical activity (PA) levels of children, further investigation is necessary when considering the unique characteristics of children with autism spectrum disorder (ASD). The purpose of this study was to examine the relationship between neighborhood environment factors and PA among children with ASD by examining the extent to which (a) the built environment, (b) neighborhood safety, and (c) neighborhood support contributes to PA. A secondary data analysis using the 2016 and 2017 combined dataset of the National Survey of Children's Health was used. The total sample included 14,944 children between the ages of 6–17 years; of this, a sample of 494 children had a parent‐reported diagnosis of ASD. Multivariate logistic regressions were conducted to explore the unique influences of the above three neighborhood environment factors on PA engagement. Among children with and without ASD, an association was found between feeling safe and engaging in PA, that is, the odds of engaging in PA are greater among children who were safe in their neighborhoods than children who were not in safe neighborhoods. Surprisingly, other neighborhood factors do not have a significant relationship with PA participation among children with ASD at this time. Future studies should consider how to incorporate the support of others and feeling of safety into the neighborhood along with how to improve accessibility of the built environment in order to increase PA for children with ASD.

Lay Summary

The results of this study showed that neighborhood factors influence physical activity (PA) among children with ASD differently compared to their peers without ASD. Children with ASD who live in safe neighborhoods are more likely to engage in PA, while other neighborhood factors, such as playgrounds and support, are not associated with an increased likelihood of engaging in PA at this time. Efforts should be made to improve neighborhood accessibility and design in order to increase PA among children with ASD.
Long‐term biofouling formation mediated by extracellular proteins in Nannochloropsis gaditana microalga cultures at different medium N/P ratios
Authors: Soriano‐Jerez Y. , López‐Rosales L. , Cerón‐García M. C. , Sánchez‐Mirón A. , Gallardo‐Rodríguez J. J. , García‐Camacho F. , Molina‐Grima E.
Published: November 2020

Biofouling represents an important limitation in photobioreactor cultures. The biofouling propensity of different materials (polystyrene, borosilicate glass, polymethyl methacrylate, and polyethylene terephthalate glycol‐modified) and coatings (two spray‐applied and nanoparticle‐based superhydrophobic coatings and a hydrogel‐based fouling release coating) was evaluated by means of a short‐term protein test, using bovine serum albumin (BSA) as a model protein, and by the long‐term culture of the marine microalga Nannochloropsis gaditana under practical conditions. The results from both methods were similar, confirming that the BSA test predicts microalgal biofouling on surfaces exposed to microalgae cultures whose cells secrete macromolecules, such as proteins, with a high capacity for forming a conditioning film before cell adhesion. The hydrogel‐based coating showed significantly reduced BSA and N. gaditana adhesion, whereas the other surfaces failed to control biofouling. Microalgal biofouling was associated with an increased concentration of sticky extracellular proteins at low N/P ratios (below 15).
Business model innovation: Identifying foundations and trajectories
Authors: Filser Matthias , Kraus Sascha , Breier Matthias , Nenova Ioanna , Puumalainen Kaisu
Published: November 2020

Business model innovation is an emerging hot topic in management research. It has been developing steadily for 20 years and has gained enormous momentum in recent years. A solid basis has been created, and the first literature reviews summarize the topic. However, an analysis of the core literature and the general foundation of business model innovation literature is missing. This gap is closed with this bibliometric. It analyzes 30 core articles referenced in 380 business model innovation publications. From this, a total of four research clusters can be delineated. This foundation of the research area is supplemented with a trend analysis of recent publications, which identifies three trends for the future of this research stream. The analysis highlights that sustainability, dynamic capabilities, and small‐ and medium‐sized enterprises are the most promising trends in business model innovation. Based on the results, we present a general model for business model innovation.
Essential Oil Variation within Warburgia salutaris–A Coveted Ethnomedicinal Aromatic Tree
Authors: Leonard Carmen , Kamatou Guy , van Vuuren Sandy , Sandasi Maxleene , Viljoen Alvaro
Published: November 2020

Warburgia salutaris, known as ‘Pepper bark’, is an ethnomedicinally important tree found in the southern regions of Africa. A total of 75 fresh leaf specimens of W. salutaris (n=40 wild and 35 cultivated) were collected from the Limpopo (wild) and KwaZulu‐Natal provinces (cultivated), two distinct locations in South Africa. In this study, the leaf essential oils obtained by hydrodistillation were characterized using gas chromatography coupled to mass spectrometry/flame ionization detection (GC/MS/FID). More than 15 compounds, accounting for 90–99 % of the total oil composition were identified. The analysis revealed that myrcene (0.6–65.3 %), (E)‐β‐ocimene (nd–56.9 %), (Z)‐β‐ocimene (nd–19.1 %), α‐pinene (nd–19.1 %) and limonene (nd–11.7 %) are major constituents of W. salutaris essential oils. Chemometric analysis revealed two major chemotypes within the essential oils with a modeled variation of approximately 60 %. Linalool and germacrene D were revealed as markers associated with the wild‐harvested oils, while cultivated oils were distinguished by higher levels of limonene and α‐humulene. The intra‐population variation indicated two chemically distinct chemotypes from three different populations, however, the season of harvest did not have a direct influence on the chemical profiles of the essential oils.
Prevalence and prognostic impact of hsCRP elevation are age‐dependent in women but not in men undergoing percutaneous coronary intervention
Authors: Blum Moritz , Cao Davide , Chandiramani Rishi , Goel Ridhima , Roumeliotis Anastasios , Sartori Samantha , Beyhoff Niklas , Kelle Sebastian , Kovacic Jason C , Krishnan Prakash , Sweeny Joseph , Barman Nitin , Baber Usman , Dangas George D. , Kini Annapoorna , Sharma Samin K. , Mehran Roxana
Published: November 2020

Background

High‐sensitivity C‐reactive protein (hsCRP) predicts outcomes after percutaneous coronary intervention (PCI).

Objective

We studied the prevalence and prognostic impact of hsCRP elevation according to age in men and women undergoing PCI.

Methods

We included patients undergoing PCI at our center from 2010 until 2017, excluding those with myocardial infarction (MI) on presentation, neoplastic disease and hsCRP >10 mg/L at baseline. Elevated hsCRP was defined as >3 mg/L. The outcome of interest was major adverse cardiac events (MACE) consisting of all‐cause death, MI and target vessel revascularization. The association between hsCRP elevation and outcomes was assessed using adjusted Cox models.

Results

10,432 men and 4,345 women were included. Elevation of hsCRP was present in 25.7% of men and 37.0% of women (p < .01). In men, prevalence of hsCRP elevation was stable across age strata (ptrend = .42). In women, hsCRP elevation was most prevalent in patients <50 years (44.6%) and decreased stepwise with increasing age (ptrend < .001).

After stratifying the population into age quartiles (Q1: <59 years, Q2: 59–66 years, Q3: 67–74 years, Q4: ≥75 years), hsCRP elevation was associated with increased risk of MACE across all age groups in men (HR [95% CI] Q1: 1.49 [1.12–1.98]; Q2: 1.51 [1.21–2.06]; Q3: 1.76 [1.27–2.51]; Q4: 1.43[1.03–1.97]). In women, hsCRP elevation was associated with increased risk of MACE only among older patients (HR [95% CI] Q1: 1.08 [0.64–0.82]; Q2: 1.52 [0.93–2.46]; Q3: 1.65 [1.08–2.50]; Q4: 1.52 [1.02–1.28]).

Conclusion

Among patients undergoing PCI, prevalence and prognostic value of hsCRP elevation were age‐dependent exclusively in women.
Unusual clinical presentation of cutaneous leishmaniasis in a patient with corticosteroid‐induced immunosuppression
Authors: Mahdavi Maryam , Aryan Reihaneh , Nahidi Yalda , Teimoorian Mehrdad , Mashayekhi Vahid
Published: November 2020

Clinicians should always consider rare, atypical, and opportunistic infections in patients undergoing long‐term systemic corticosteroid therapy. Diagnosis needs further evaluations and special consideration.
Coronary sinus reducer transfemoral extraction after intraprocedural device migration: A case report
Authors: Bunc Matjaz , Sustersic Miha , Langel Crt , Kuhelj Dimitrij , Banai Shmuel
Published: November 2020

The coronary sinus reducer migration during implantation procedure is a rare complication with no standard bailout strategy. Transfemoral extraction of the reducer can be a safe and successful method, as demonstrated by this case report.
A pathogenic germline BRCA2 variant in a patient with hypopharyngeal squamous cell carcinoma
Authors: Correa Tatiana , Laux Douglas E. , Hoffman Henry T.
Published: November 2020

Pathogenic germline BRCA2 variants may be associated with an increased risk of hypopharyngeal squamous cell carcinoma that is more responsive to chemoradiation and chemotherapeutics targeting defective double‐strand DNA repair.
Death due to COVID‐19 in a patient with diabetes, epilepsy, and gout comorbidities
Authors: Safdarian Amir Reza , Momenzadeh Kaveh , Kahe Farima , Farhangnia Pooya , Rezaei Nima
Published: November 2020

There is evidence of increased incidence, rapid progression, and poor prognosis of COVID‐19 in patients with underlying comorbidities such as diabetes and epilepsy. Developing effective treatment regimens for COVID‐19 patients with multiple comorbidities is crucial, as patients' past medical history is an essential contributor to possible organ injuries in COVID‐19 patients. Herein, we report a confirmed case of COVID‐19 patient with a history of multiple underlying diseases, including diabetes, epilepsy, and gout. The patient developed multiple organ failure and died a week after intensive care unit (ICU) admission. Multiple organ failure is the most common cause of death in COVID‐19 patients.
Homochiral bifunctional L‐prolinamide‐ and L‐bis‐prolinamide‐catalyzed asymmetric aldol reactions performed in wet solvent‐free conditions
Authors: Huelgas Gabriela , Somanathan Ratnasamy , Hernández Pérez Julio M. , Rojas Cabrera Haydee , de la Higuera Macías Maximiliano , Domínguez‐Huerta Alejandra , Sabala Rocío , Anaya de Parrodi Cecilia
Published: November 2020

In this study, the novel bifunctional homochiral thiourea‐L‐prolinamides 1–4, tertiary amino‐L‐prolinamide 5, and bis‐L‐prolinamides 6 and 7 were prepared from enantiomerically pure (11R,12R)‐11,12‐diamino‐9,10‐dihydro‐9,10‐ethanoanthracene 8 and (11S,12S)‐11,12‐diamino‐9,10‐dihydro‐9,10‐ethanoanthracene ent‐8. Highly enantioselective and diastereoselective aldolic intermolecular reactions (up to 95% enantiomeric excess, 93:7 anti/syn) between aliphatic ketones (20 equiv) and a range of aromatic aldehydes (1 equiv) were successfully carried out in the presence of water (10 equiv) and monochloroacetic acid (10 mol%), solvent‐free conditions, at room temperature over 24 h using organocatalysts 1–7 (5 mol%). Stereoselective induction using density functional theory–based methods was consistent with the experimental data.
Ultrasonic Degradation of Polystyrene for Tailoring Molecular Weight and Polydispersity of Polystyrene Fragments
Authors: Zimmermann Jana , Kruppa David , Fischlschweiger Michael , Beuermann Sabine , Enders Sabine
Published: November 2020

Ultrasonic degradation of polymers attracts more and more attention in the field of chemical recycling of polymers due to the promising opportunity to tailor molecular weight and polydispersity of the gained polymer fragments. In this work, the influence of solvent, gas atmosphere, and ultrasound amplitude on the ultrasonic degradation process of polystyrene is investigated. Therefore, an experimental procedure to perform ultrasonic degradation of polystyrene under homogeneous temperature conditions in the solvents cyclohexane and toluene under the gas atmospheres CO2 and N2 for different ultrasonic amplitudes was designed. It could be shown that a significant effect on the molecular weight and polydispersity of the polymer could only be revealed for N2 and not for CO2 atmosphere.
Assisting students in their career choices: strategies for promoting students’ science identities following the science capital approach
Authors: Rüschenpöhler Lilith , Küsel Julian , Hönig Marina , Markic Silvija
Published: November 2020

Berufsorientierung stellt ChemielehrerInnen vor eine besondere Herausforderung, da vor allem Mädchen und junge Frauen geringere naturwissenschaftliche Karriereaspirationen zeigen. Derzeit mangelt es an wissenschaftlich fundierten Ansätzen, eine naturwissenschaftliche Identitätsbildung in der Berufsorientierung im Unterricht bei Mädchen und jungen Frauen aktiv zu unterstützen. Die vorliegende Studie untersucht nach dem Science‐Capital‐Ansatz, welche Gesprächsstrategien in der Berufsorientierung die naturwissenschaftliche Identitätsbildung von Mädchen und jungen Frauen fördern können. Im Rahmen des DiSenSU‐Projekts zur Berufsorientierung in den Naturwissenschaften nahmen Mädchen und junge Frauen an einem Coachinggespräch über naturwissenschaftliche Identitäten und Karriereaspirationen teil. Für die vorliegende Studie wurden quantitative Daten zu Selbstkonzept und Karriereaspirationen sowie qualitative Daten aus den Coachinggesprächen analysiert. Untersucht wurde: (1) Welche Voraussetzungen bezüglich Selbstkonzept und Karriereaspirationen zeigen Mädchen und junge Frauen in der Reflexion über naturwissenschaftliche Berufe? (2) Welche Strategien der Gesprächsführung eignen sich, Science Capital zu fördern? Die Studie zeigt, wie Selbstkonzept und Karriereaspirationen als Anknüpfungspunkte im Coachinggespräch genutzt werden können und welche Gesprächsstrategien sich eignen, die naturwissenschaftliche Identitätsbildung bei Mädchen und jungen Frauen zu fördern.
A Novel Hybrid of Chloroquine and Primaquine Linked by Gold(I): Multitarget and Multiphase Antiplasmodial Agent
Authors: de Souza Pereira Caroline , Costa Quadros Helenita , Magalhaes Moreira Diogo Rodrigo , Castro William , Santos De Deus Da Silva Romulo Ivisson , Botelho Pereira Soares Milena , Fontinha Diana , Prudêncio Miguel , Schmitz Vinicius , Dos Santos Hélio F. , Gendrot Mathieu , Fonta Isabelle , Mosnier Joel , Pradines Bruno , Navarro Maribel
Published: November 2020

Plasmodium parasites kill 435 000 people around the world every year due to unavailable vaccines, a limited arsenal of antimalarial drugs, delayed treatment, and the reduced clinical effectiveness of current practices caused by drug resistance. Therefore, there is an urgent need to discover and develop new antiplasmodial candidates. In this work, we present a novel strategy to develop a multitarget metallic hybrid antimalarial agent with possible dual efficacy in both sexual and asexual erythrocytic stages. A hybrid of antimalarial drugs (chloroquine and primaquine) linked by gold(I) was synthesized and characterized by spectroscopic and analytical techniques. The CQPQ‐gold(I) hybrid molecule affects essential parasite targets, it inhibits β‐hematin formation and interacts moderately with the DNA minor groove. Its interaction with PfTrxR was also examined in computational modeling studies. The CQPQ‐gold(I) hybrid displayed an excellent in vitro antimalarial activity against the blood‐stage of Plasmodium falciparum and liver‐stage of Plasmodium berghei and efficacy in vivo against P. berghei, thereby demonstrating its multiple‐stage antiplasmodial activity. This metallic hybrid is a promising chemotherapeutic agent that could act in the treatment, prevention, and transmission of malaria.
Using NMR Spectroscopy in the Fragment‐Based Drug Discovery of Small‐Molecule Anticancer Targeted Therapies
Authors: Diethelm‐Varela Benjamin
Published: November 2020

Against the challenge of providing personalized cancer care, the development of targeted therapies stands as a promising approach. The discovery of these agents can benefit from fragment‐based drug discovery (FBDD) methods that help guide ligand design and provide key structural information on the targets of interest. In particular, nuclear magnetic resonance spectroscopy is a promising biophysical tool in fragment discovery due to its detection capabilities and versatility. This review provides an overview of FBDD, describes the basis of NMR‐based fragment screening, summarizes some exciting technical advances reported over the past decades, and closes with a discussion of selected case studies where this technique has been used as part of drug discovery campaigns to produce lead compounds towards the design of anti‐cancer targeted therapies.
A framework for cancer health economics research
Authors: Halpern Michael T. , Shih Ya‐Chen Tina , Yabroff K. Robin , Ekwueme Donatus U. , Bradley Cathy J. , Davidoff Amy J. , Sabik Lindsay M. , Lipscomb Joseph
Published: November 2020

Lay Summary

Cancer has substantial economic impacts for patients, their families and/or caregivers, employers, and the health care system. However, there is only limited understanding of how economic issues can affect access to cancer care services and the receipt of high‐quality cancer care.

Health economics research in cancer is particularly timely due to the large and increasing number of patients with cancer and cancer survivors, but there are many factors that may create barriers to performing cancer health economics research.

This commentary has identified important topics and questions in cancer health economics research and will assist in the development of this critical field.
Extraction‐and‐excitation deep neural network for pansharpening
Authors: Lei Dajiang , Shen Ling , Zhang Liping , Li Weisheng
Published: November 2020

With the recent advances achieved by deep neural networks in image processing applications, researchers have begun exploring deep learning in pansharpening and obtained remarkable results. However, the existing methods are generally limited by their weak feature representation ability, often leading to spectral distortion or spatial blur. To generate high‐quality pansharpened images, this article proposes a novel neural network for pansharpening that includes both feature extraction and excitation mechanisms to consider important features. The neural network is modified with domain knowledge in pansharpening to fully extract spectral and spatial structures, and the proposed method outperforms traditional methods.
Influence of oncogenic mutations and tumor microenvironment alterations on extranodal invasion in diffuse large B‐cell lymphoma
Authors: Shen Rong , Xu Peng‐Peng , Wang Nan , Yi Hong‐Mei , Dong Lei , Fu Di , Huang Jin‐Yan , Huang Heng‐Ye , Janin Anne , Cheng Shu , Wang Li , Zhao Wei‐Li
Published: November 2020

Background

Diffuse large B‐cell lymphoma (DLBCL) is an aggressive subtype of lymphoma, and multiple extranodal involvement (ENI) indicates adverse clinical outcomes. The aim of this study was to investigate the influence of oncogenic mutations and tumor microenvironment alterations on ENI in DLBCL.

Methods

The clinical features of 1960 patients with newly diagnosed DLBCL were analyzed, and DNA and RNA sequencing was performed on 670 and 349 patients, respectively. Oncogenic mutations and tumor microenvironment alterations were compared according to ENI and evaluated in zebrafish patient‐derived tumor xenograft models.

Results

Multiple ENI was significantly associated with poor performance status, advanced stage, elevated serum lactate dehydrogenase, low response rate, and inferior prognosis. Lymphoma invasion of the bones, spleen, bone marrow, liver, and central nervous system were independent unfavorable prognostic factors. MYD88 was frequently mutated in patients with multiple ENI, co‐occurred with mutations in CD79B, PIM1, TBL1XR1, BTG1, MPEG1, and PRDM1, and correlated with invasion of the bones, kidney/adrenal glands, breasts, testes, skin, and uterus/ovaries. For tumor microenvironment alterations, patients with multiple ENI showed higher regulatory T‐cell (Treg)‐recruiting activity, but lower extracellular matrix‐encoding gene expression, than those without ENI and with single ENI. Elevated Treg‐recruiting activity was related to mutations in B2M, SGK1, FOXO1, HIST1H1E, and ARID1A, and correlated with invasion of the bone marrow and thyroid. Additionally, mutations in MYD88, PIM1, TBL1XR1, SGK1, FOXO1, HIST1H1E, and ARID1A were associated with decreased major histocompatibility complex class I expression. Zebrafish models further revealed relationships between MYD88 mutations and invasion of the kidneys and gonads, as well as B2M mutations and invasion of the bone marrow. Increased CXCR4 expression is linked to bone marrow invasion in an organotropic way.

Conclusions

Our findings thus contribute to an improved understanding of the biological behavior of multiple ENI and provide a clinical rationale for targeting ENI in DLBCL.
DNA metabarcoding provides insights into seasonal diet variations in Chinese mole shrew (Anourosorex squamipes) with potential implications for evaluating crop impacts
Authors: Tang Ke‐yi , Xie Fei , Liu Hong‐yi , Pu Ying‐ting , Chen Dan , Qin Bo‐xin , Fu Chang‐kun , Wang Qiong , Chen Shun‐de , Guo Ke‐ji
Published: November 2020

Diet analysis of potential small mammals pest species is important for understanding feeding ecology and evaluating their impact on crops and stored foods. Chinese mole shrew (Anourosorex squamipes), distributed in Southwest China, has previously been reported as a farmland pest. Effective population management of this species requires a better understanding of its diet, which can be difficult to determine with high taxonomic resolution using conventional microhistological methods. In this study, we used two DNA metabarcoding assays to identify 38 animal species and 65 plant genera from shrew stomach contents, which suggest that A. squamipes is an omnivorous generalist. Earthworms are the most prevalent (>90%) and abundant (>80%) food items in the diverse diet of A. squamipes. Species of the Fabaceae (frequency of occurrence [FO]: 88%; such as peanuts) and Poaceae (FO: 71%; such as rice) families were the most common plant foods identified in the diet of A. squamipes. Additionally, we found a seasonal decrease in the diversity and abundance of invertebrate foods from spring and summer to winter. Chinese mole shrew has a diverse and flexible diet throughout the year to adapt to seasonal variations in food availability, contributing to its survival even when food resources are limited. This study provides a higher resolution identification of the diet of A. squamipes than has been previously described and is valuable for understanding shrew feeding ecology as well as evaluating possible species impacts on crops.
Thermal and nutritional environments during development exert different effects on adult reproductive success in Drosophila melanogaster
Authors: Min Kyeong Woon , Jang Taehwan , Lee Kwang Pum
Published: November 2020

Environments experienced during development have long‐lasting consequences for adult performance and fitness. The “environmental matching” hypothesis predicts that individuals perform best when adult and developmental environments match whereas the “silver spoon” hypothesis expects that fitness is higher in individuals developed under favorable environments regardless of adult environments. Temperature and nutrition are the two most influential determinants of environmental quality, but it remains to be elucidated which of these hypotheses better explains the long‐term effects of thermal and nutritional histories on adult fitness traits. Here we compared how the temperature and nutrition of larval environment would affect adult survivorship and reproductive success in the fruit fly, Drosophila melanogaster. The aspect of nutrition focused on in this study was the dietary protein‐to‐carbohydrate (P:C) ratio. The impact of low developmental and adult temperature was to improve adult survivorship. High P:C diet had a negative effect on adult survivorship when ingested during the adult stage, but had a positive effect when ingested during development. No matter whether adult and developmental environments matched or not, females raised in warm and protein‐enriched environments produced more eggs than those raised in cool and protein‐limiting environments, suggesting the presence of a significant silver spoon effect of larval temperature and nutrition. The effect of larval temperature on adult egg production was weak but persisted across the early adult stage whereas that of larval nutrition was initially strong but diminished rapidly after day 5 posteclosion. Egg production after day 5 was strongly influenced by the P:C ratio of the adult diet, indicating that the diet contributing mainly to reproduction had shifted from larval to adult diet. Our results highlight the importance of thermal and nutritional histories in shaping organismal performance and fitness and also demonstrate how the silver spoon effects of these aspects of environmental histories differ fundamentally in their nature, strength, and persistence.
In vivo Electrochemical Monitoring of Signaling Transduction of Plant Defense Against Stress in Leaves of Aloe vera L.
Authors: Doménech‐Carbó Antonio , Dias Daiane , Donnici Margherita
Published: November 2020

In situ recording of the voltammetric response of Aloe vera L. leaves using graphite and platinum microelectrodes inserted in the subcuticular region is described. The plant response against the mechanical stress results in changes of the voltammetric signals associated to signal transduction compounds salicylic and jasmonic acids and hydrogen peroxide, which were separately monitored. A kinetic model is proposed to describe the time variation of the respective voltammetric signatures, denoting the possibility of in vivo electrochemical monitoring of biochemical processes in plants. The obtained results suggest that two defense pathways with different participation of ROS are operative.
Solving the soft furnishings fire problem (without incurring collateral damage)
Authors: Gann Richard G.
Published: November 2020

Fires in which soft furnishings (upholstered furniture and beds) were either the first item ignited or were identified as the major item in the fire's growth are the deadliest of residential fires. This Special Issue of Fire and Materials on Furniture Flammability grew from a small session on this subject in Interflam 2019. The issue contains 14 papers that describe the fire problems of soft furnishings, research to better understand their burning behavior, and recent success in and promising approaches to reducing the losses from these fires. This introduction concludes with the author's challenges to the fire safety community for reducing the number and consequences of soft furnishings fires.
Global database of diffuse riverine nitrogen and phosphorus loads and yields
Authors: McDowell Rich W. , Noble Alasdair , Pletnyakov Peter , Mosley Luke M.
Published: November 2020

Human activities have increased the input of nitrogen and phosphorus into riverine systems. These inputs can increase algal growth that degrades aquatic ecosystems. We constructed a global database of diffuse loads (kg) and yields (kg ha−1 yr−1) of dissolved and total nitrogen and phosphorus forms for 7 years (centred around 2008) in 1,421 catchments. Yields were calculated from 640,950 measurements that were checked, filtered and harmonized from readily available sources. We used the yield data to create a georeferenced model to calculate yields of nitrogen and phosphorus forms across 6,020 catchments, globally. The database can be used to assess and inform policy to reduce nitrogen and phosphorus losses from land to freshwater, improve nutrient use efficiency on farms, and help calibrate global models being used to explore scenarios such as nutrient management efficiency in a changing climate. The source data and R code are provided at https://doi.org/10.25400/lincolnuninz.11894697.
Visualization and ecohydrologic models: Opening the box
Authors: Tague Christina , Frew James
Published: November 2020

Earth system models synthesize the science of interactions amongst multiple biophysical and, increasingly, human processes across a wide range of scales. Ecohydrologic models are a subset of earth system models that focus particularly on the complex interactions between ecosystem processes and the storage and flux of water. Ecohydrologic models often focus at scales where direct observations occur: plots, hillslopes, streams, and watersheds, as well as where land and resource management decisions are implemented. These models complement field‐based and data‐driven science by combining theory, empirical relationships derived from observation and new data to create virtual laboratories. Ecohydrologic models are tools that managers can use to ask “what if” questions and domain scientists can use to explore the implications of new theory or measurements. Recent decades have seen substantial advances in ecohydrologic models, building on both new domain science and advances in software engineering and data availability. The increasing sophistication of ecohydrologic models however, presents a barrier to their widespread use and credibility. Their complexity, often encoding 100s of relationships, means that they are effectively “black boxes,” at least for most users, sometimes even to the teams of researchers that contribute to their design. This opacity complicates the interpretation of model results. For models to effectively advance our understanding of how plants and water interact, we must improve how we visualize not only model outputs, but also the underlying theories that are encoded within the models. In this paper, we outline a framework for increasing the usefulness of ecohydrologic models through better visualization. We outline four complementary approaches, ranging from simple best practices that leverage existing technologies, to ideas that would engage novel software engineering and cutting edge human–computer interface design. Our goal is to open the ecohydrologic model black box in ways that will engage multiple audiences, from novices to model developers, and support learning, new discovery, and environmental problem solving.
Additive value of transarterial embolization to systemic sirolimus treatment in kaposiform hemangioendothelioma
Authors: Brill Richard , Uller Wibke , Huf Veronika , Müller‐Wille René , Schmid Irene , Pohl Alexandra , Häberle Beate , Perkowski Sybille , Funke Katrin , Till Anne‐Marie , Lauten Melchior , Neumann Jacob , Güttel Christian , Heid Esther , Ziermann Franziska , Schmid Axel , Hüsemann Dieter , Meyer Lutz , Sporns Peter B. , Schinner Regina , Schmidt Vanessa F. , Ricke Jens , Rössler Jochen , Kapp Friedrich G. , Wohlgemuth Walter A. , Wildgruber Moritz
Published: November 2020

Kaposiform hemangioendothelioma (KHE) is a rare vascular tumor in children, which can be accompanied by life‐threatening thrombocytopenia, referred to as Kasabach‐Merritt phenomenon (KMP). The mTOR inhibitor sirolimus is emerging as targeted therapy in KHE. As the sirolimus effect on KHE occurs only after several weeks, we aimed to evaluate whether additional transarterial embolization is of benefit for children with KHE and KMP. Seventeen patients with KHE and KMP acquired from 11 hospitals in Germany were retrospectively divided into two cohorts. Children being treated with adjunct transarterial embolization and systemic sirolimus, and those being treated with sirolimus without additional embolization. Bleeding grade as defined by WHO was determined for all patients. Response of the primary tumor at 6 and 12 months assessed by magnetic resonance imaging (MRI), time to response of KMP defined as thrombocyte increase >150 × 103/μL, as well as rebound rates of both after cessation of sirolimus were compared. N = 8 patients had undergone additive embolization to systemic sirolimus therapy, sirolimus in this group was started after a mean of 6.5 ± 3 days following embolization. N = 9 patients were identified who had received sirolimus without additional embolization. Adjunct embolization induced a more rapid resolution of KMP within a median of 7 days vs 3 months; however, tumor response as well as rebound rates were similar between both groups. Additive embolization may be of value for a more rapid rescue of consumptive coagulopathy in children with KHE and KMP compared to systemic sirolimus only.
Improving patient selection for immuno‐oncology phase 1 trials: External validation of six prognostic scores in a French Cancer Center
Authors: Al Darazi Ghassan , Martin Elodie , Delord Jean‐Pierre , Korakis Iphigenia , Betrian Sarah , Estrabaut Myriam , Poublanc Muriel , Gomez‐Roca Carlos , Filleron Thomas
Published: November 2020

We compared the performance of six prognostic scores (Royal Marsden Hospital, MDACC: MD Anderson Clinical Center and MDACC + NLR: neutrophil‐to‐lymphocyte ratio, MD Anderson ‐ immune checkpoint inhibitors (MDA‐ICI), GRIm: Gustave Roussy Immune Score and LIPI: Lung Immune Prognostic Index) in predicting overall survival (OS) in phase I trial patients treated with immune checkpoint inhibitors (ICI). Medical records of patients with advanced solid tumors enrolled in ICI phase I trials between 2015 and 2018 at Institut Universitaire du Cancer de Toulouse—Oncopole were reviewed. The performance of prognostic scores on OS was compared using different criteria. A total of 259 patients were included. Median age was 63 years (range: 18‐83). Main primary cancers were melanoma (19%), head and neck (16%), lung (13%) and bladder (10%). With a median follow‐up of 15 months (95% confidence interval [CI] = [11.6;17.5]), median OS was 12.5 months (95% CI = [10.3;16.0]). All scores were associated with OS. The MDACC, LIPI and GRIm scores performed better than the others. Concordance of risk group assignment between the scoring systems was poor. According to our results, the MDACC, GRIm and LIPI scores better suited to ICI phase I settings. Adequate scoring would allow better patient selection in early ICI trials, especially during the critical period of dose escalation, and in proof‐of‐concept expansion cohorts.
Association between levator ani avulsion and urinary incontinence in women: A systematic review and meta‐analysis
Authors: Smeets Carlijn F. A. , Vergeldt Tineke F. M. , Notten Kim J. B. , Martens Frank M. J. , van Kuijk Sander M. J.
Published: November 2020

Background

Urinary incontinence is a bothersome symptom. Although the relationship between stress urinary incontinence (SUI) and vaginal delivery is established, the pathology underlying SUI after vaginal birth remains to be elucidated.

Objectives

To determine whether levator ani muscle avulsion predisposes for SUI in women.

Search strategy

Pubmed and Embase were searched for terms and their variations “levator ani muscle avulsion” and “urinary incontinence”, from inception until 5 November 2019.

Selection criteria

Inclusion criterion: studies describing the relationship between urinary incontinence and levator ani muscle avulsion in women at least 1 year after delivery. Exclusion criterion: studies only analyzing the urethral sphincter or hiatus dimensions.

Data collection and analysis

Odds ratios were used and if not available, were calculated as means of data synthesis, adjusted odds ratios if presented by the study, random‐effects model to compute a pooled estimate.

Results

Seven studies were included, accounting for 2388 women. Comparing women with and without levator ani muscle avulsion, the overall odds ratio for SUI is 0.87 (95% confidence interval 0.56–1.34), and after adjustment for possible confounders was 0.72 (95% confidence interval 0.40–1.30).

Conclusion

There is no relationship between levator ani muscle avulsion and SUI in women.
The optimal cut‐off value of immunohistochemical parameter P53 for predicting recurrence of endometrial cancer
Authors: Jia Mingzhu , Jiang Peng , Hu Jing , Huang Zhen , Deng Ying , Hu Zhuoying
Published: November 2020

Objective

To explore the optimal cut‐off value of immunohistochemical parameter P53 for predicting the recurrence of Stage I–III endometrial cancer.

Methods

A total of 473 patients who were treated between October 2013 and May 2018 were retrospectively studied. Receiver operating characteristic (ROC) curves and the Youden index were used to calculate the optimal cut‐off value of P53. Cox regression analysis was used to detect the association between the threshold of P53 and recurrence of endometrial cancer. Recurrence‐free survival (RFS) and overall survival (OS) were exhibited by Kaplan–Meier curve.

Results

The study showed that 67% was the optimal cut‐off value of P53 to predict the recurrence of endometrial cancer. P53 above 67% was an independent predictor for relapse of endometrial cancer (p < 0.001). The 3‐year RFS was 89.7% in the low‐value group and 66.6% in the high‐value group (p < 0.001), while the 3‐year OS was 93.9% and 76.4%, respectively (p < 0.001). Furthermore, the 3‐year RFS of patients who did not receive adjuvant chemotherapy or radiotherapy was 95.7% and 78.2% between the two groups (p < 0.001).

Conclusion

The optimal cut‐off value of immunohistochemical parameter P53 for predicting recurrence was confirmed as 67% and a P53 index above 67% was an independent prognostic factor.