bluuebunny/crossref_metadata_2025 huggingface dataset:
Oxidative stress markers in patient-derived non-cancerous cervical tissues and cells
Authors: Katerji Meghri , Filippova Maria , Wongworawat Yan Chen , Siddighi Sam , Bashkirova Sveta , Duerksen-Hughes Penelope J.
Published: November 2020

High-risk human papillomaviruses (HPV) are the causative agents of cervical cancer. However, not all infected women develop cervical cancer. Cervical tumorigenesis is characterized by a multifactorial etiology, with oxidative stress (OS) likely playing a major role. In addition to exogenous sources, metabolic processes also contribute to OS. In principle, variability in levels of cervical OS has the potential to influence the likelihood of conversion to cervical cancer. To ask whether such variability indeed existed, we assessed the levels of ROS and the oxidative DNA damage biomarker 8-oxodG in normal non-cancerous cervical tissues and cells obtained from women with uterovaginal pelvic organ prolapse following vaginal hysterectomy. We demonstrated five and ten-fold variability between tissues isolated from the transformation zone (TZ) and ectocervix (EC) of different women, respectively. Despite the greater variability (likely due to differences in tissue composition), the overall pattern of ROS levels in EC tissues mirrored those obtained in their corresponding TZ tissues. Our results also show that the levels of ROS in TZ tissues were always higher than or equal to those found in the respective EC tissues, providing a possible explanation for TZ tissue being the primary target for HPV infection and cervical carcinogenesis. Interestingly, primary keratinocytes isolated and cultured from these cervical specimens also displayed high variability in ROS levels, with some strongly mirroring the levels of ROS observed in their corresponding tissues, while others were less closely associated. Finally, we demonstrated that the levels of DNA damage mirrored the levels of ROS in the cultured primary cells. Understanding the factors and mechanisms that dispose certain individuals to develop cervical cancer has the potential to enable the development of approaches that make the conversion of HPV infection to cancer development even more rare.
Observation of nonlinear dynamics in an optical levitation system
Authors: Ma Jinyong , Qin Jiayi , Campbell Geoff T. , Guccione Giovanni , Lecamwasam Ruvi , Buchler Ben C. , Lam Ping Koy
Published: November 2020

Optical levitation of mechanical oscillators has been suggested as a promising way to decouple the environmental noise and increase the mechanical quality factor. Here, we investigate the dynamics of a free-standing mirror acting as the top reflector of a vertical optical cavity, designed as a testbed for a tripod cavity optical levitation setup. To reach the regime of levitation for a milligram-scale mirror, the optical intensity of the intracavity optical field approaches 3 MW cm−2. We identify three distinct optomechanical effects: excitation of acoustic vibrations, expansion due to photothermal absorption, and partial lift-off of the mirror due to radiation pressure force. These effects are intercoupled via the intracavity optical field and induce complex system dynamics inclusive of high-order sideband generation, optical bistability, parametric amplification, and the optical spring effect. We modify the response of the mirror with active feedback control to improve the overall stability of the system.
Quantum phase transitions and the role of impurity-substrate hybridization in Yu-Shiba-Rusinov states
Authors: Huang Haonan , Drost Robert , Senkpiel Jacob , Padurariu Ciprian , Kubala Björn , Yeyati Alfredo Levy , Cuevas Juan Carlos , Ankerhold Joachim , Kern Klaus , Ast Christian R.
Published: November 2020

Spin-dependent scattering from magnetic impurities inside a superconductor gives rise to Yu-Shiba-Rusinov (YSR) states within the superconducting gap. They can be modeled by the largely equivalent Kondo or Anderson impurity models. The role of the magnetic and nonmagnetic properties of the impurity in relation to the coupling to the substrate is still under debate. Here, we use a scanning tunneling microscope to make a quantitative connection between the energy of a YSR state and the impurity-substrate hybridization. We corroborate the impurity substrate coupling as a key energy scale for surface derived YSR states using the Anderson impurity model. By combining experimental data from YSR state spectra and additional conductance measurements, we can determine on which side of the quantum phase transition the system resides. We thus provide a crucial step towards a more quantitative understanding of the crucial role of impurity substrate coupling utilizing the Anderson model.
Highly oriented and polyoxometalate-incorporating surface-attached metal–organic frameworks for efficient dye adsorption and water oxidation
Authors: Yu Xiu-Jun , Zhong Hai , Xian Yi-Ming , Wang Ze-Ping , Schneider Sebastian , Scherr Julian , Abu-Husein Tarek , Zhang Zhuo , Terfort Andreas
Published: November 2020

We present a facile protocol for the controlled growth of highly oriented and polyoxometalate-incorporating HKUST-1 SURMOFs, which exhibit excellent abilities in dye adsorption and water oxidation.
Reactions of Rh(PNP) pincer complexes with terminal alkynes: homocoupling through a ring or not at all
Authors: Hood Thomas M. , Chaplin Adrian B.
Published: November 2020

“Switching on” a metal's capacity to promote terminal alkyne coupling reactions using a macrocyclic pincer ligand.
Melatonin rich foods in our diet: food for thought or wishful thinking?
Authors: Kennaway David J.
Published: November 2020

Plot of the maximum plasma melatonin levels (Cmax) following the oral administration to humans of pure melatonin in various rapid release formulations.
Experimental validation of high thermoelectric performance in RECuZnP2 predicted by high-throughput DFT calculations
Authors: Pöhls Jan-Hendrik , Chanakian Sevan , Park Junsoo , Ganose Alex M. , Dunn Alexander , Friesen Nick , Bhattacharya Amit , Hogan Brea , Bux Sabah , Jain Anubhav , Mar Arthur , Zevalkink Alexandra
Published: November 2020

Predictions of high thermoelectric performance in RECuZnP2 were verified by elastic, electrical, and thermal measurements. Low thermal conductivities result from strong anharmonicity, with electron transport limited by polar optical phonons.
Porous bioactive glass micro- and nanospheres with controlled morphology: developments, properties and emerging biomedical applications
Authors: Zheng Kai , Sui Baiyan , Ilyas Kanwal , Boccaccini Aldo R.
Published: November 2020

Porous bioactive glass micro- and nanospheres are attractive biomaterials for biomedical applications: bone regeneration, wound healing, drug delivery and theranostics.
Vibrio cholerae FeoB hydrolyzes ATP and GTP in vitro in the absence of stimulatory factors
Authors: Gómez-Garzón Camilo , Payne Shelley M
Published: November 2020

Feo is the most widely conserved system for ferrous iron transport in prokaryotes, and it is important for virulence in some pathogens. However, its mechanism of iron transport is not fully understood. In this study, we used full-length Vibrio cholerae FeoB (VcFeoB) as a model system to study whether its enzymatic activity is affected by regulatory factors commonly associated with FeoB proteins from other species or with G-proteins that have homology to FeoB. VcFeoB showed a higher rate of hydrolysis of both ATP and GTP than its N-terminal domain alone; likewise, ions such as K+ and Fe2+ did not modulate its nucleotide hydrolysis. We also showed that the three V. cholerae Feo proteins (FeoA, FeoB, and FeoC) work in a 1 : 1 : 1 molar ratio in vivo. Although both FeoA and FeoC are required for Feo-mediated iron transport, neither of these proteins affected the VcFeoB NTPase rate. These results are consistent with an active transport mechanism independent of stimulatory factors and highlight the importance of using full-length FeoB proteins as a reliable proxy to study Feo-mediated iron transport in vitro.
Human placental cell line HTR-8/SVneo accumulates cadmium by divalent metal transporters DMT1 and ZIP14
Authors: Widhalm Raimund , Ellinger Isabella , Granitzer Sebastian , Forsthuber Martin , Bajtela Robert , Gelles Katharina , Hartig Pia-Yael , Hengstschläger Markus , Zeisler Harald , Salzer Hans , Gundacker Claudia
Published: November 2020

Cadmium (Cd) is a global pollutant that accumulates in the placenta and can cause placental dysfunction. Although iron transporters have been suggested to participate in placental Cd uptake, it is still unknown which transporters are actually involved in this process. We specifically aimed to study the role of three iron transporters in the uptake of Cd into the placental cell line HTR-8/SVneo. For this purpose, Divalent Metal Transporter (DMT)1 and ZRT/IRT like protein (ZIP)8 and ZIP14 were downregulated and changes in cellular Cd levels analysed in relation to controls. As clearly shown by the reduction of the Cd content by ∼60% in DMT1- and ZIP14-downregulated cells, the two proteins are essential for Cd accumulation in HTR-8/SVneo cells. Using a validated antibody, we show DMT1 to be localised in situ in trophoblast and stromal cells. We further wanted to investigate how placental cells cope with Cd loading and which metallothionein (MT) isoforms they express. Cd-exposed cells accumulate Cd in a dose-dependent manner and upregulate MT2A accordingly (up to 15-fold induction upon 5 μM CdCl2 treatment for 72 h). 5 μM Cd exposure for 72 h decreased cell number to 60%, an effect that was aggravated by MT2A depletion (cell number reduced to 30%) indicating additive effects. In conclusion, our data suggest that DMT1 and ZIP14 are required for Cd uptake into human placental cells that upregulate MT2A to store and detoxify the metal. Cd storage in the placenta reduces Cd transport to the fetus, which, however, could impair placental functions and fetal development.
Organic–inorganic doped nickel oxide nanocrystals for hole transport layers in inverted polymer solar cells with color tuning
Authors: Alkarsifi Riva , Avalos-Quiroz Yatzil Alejandra , Perkhun Pavlo , Liu Xianjie , Fahlman Mats , Bharwal Anil Kumar , Ruiz Carmen M. , Duché David , Simon Jean-Jacques , Videlot-Ackermann Christine , Margeat Olivier , Ackermann Jörg
Published: November 2020

Nickel oxide nanoparticles in alcoholic solutions were developed for processing hole transport layers in non-fullerene acceptor-based solar cells using inverted device structures.
Interface engineering in transition metal-based heterostructures for oxygen electrocatalysis
Authors: Zhao Ruopeng , Li Qinghua , Jiang Xian , Huang Shaoming , Fu Gengtao , Lee Jong-Min
Published: November 2020

This review summarizes recent progress in the design and synthesis of transition metal-based heterostructures for oxygen reduction and oxygen evolution.
Pharmacophore-based approaches in the rational repurposing technique for FDA approved drugs targeting SARS-CoV-2 Mpro
Authors: Balaramnavar Vishal M. , Ahmad Khurshid , Saeed Mohd , Ahmad Irfan , Kamal Mehnaz , Jawed Talaha
Published: November 2020

Novel coronavirus (CoV) is the primary etiological virus responsible for the pandemic that started in Wuhan in 2019–2020.
Effect of Ti3C2Tx–PEDOT:PSS modified-separators on the electrochemical performance of Li–S batteries
Authors: Li Juan , Jin Qi , Yin Fei , Zhu Chuncheng , Zhang Xitian , Zhang Zhiguo
Published: November 2020

Lithium–sulfur (Li–S) batteries have attracted much attention due to their high theoretical energy density, environmental friendliness, and low cost.
An antibacterial and injectable calcium phosphate scaffold delivering human periodontal ligament stem cells for bone tissue engineering
Authors: Chen Hong , Yang Hui , Weir Michael D. , Schneider Abraham , Ren Ke , Homayounfar Negar , Oates Thomas W. , Zhang Ke , Liu Jin , Hu Tao , Xu Hockin H. K.
Published: November 2020

Osteomyelitis and post-operative infections are major problems in orthopedic, dental and craniofacial surgeries.
A novel, recyclable magnetic biochar modified by chitosan–EDTA for the effective removal of Pb(ii) from aqueous solution
Authors: Zheng Liwen , Gao Yongchao , Du Jianhua , Zhang Wen , Huang Yujie , Wang Leilei , Zhao Qingqing , Pan Xiangliang
Published: November 2020

EDTA modified magnetic chitosan biochar was synthesized and used as an adsorbent for adsorption of Pb(ii).
Determination of berberine in Rhizoma coptidis using a β-cyclodextrin-sensitized fluorescence method
Authors: Zheng Yan-Hui , Li Wen-Hong , Chen Peng , Zhou Ying , Lu Wenbo , Ma Zi-Chuan
Published: November 2020

In this work, a method for the determination of berberine in Rhizoma coptidis using β-cyclodextrin-sensitized fluorescence technology is established.
Facile route to synthesize Fe3O4@acacia–SO3H nanocomposite as a heterogeneous magnetic system for catalytic applications
Authors: Taheri-Ledari Reza , Esmaeili Mir Saeed , Varzi Zahra , Eivazzadeh-Keihan Reza , Maleki Ali , Shalan Ahmed Esmail
Published: November 2020

We designed and fabricated a novel catalytic system with high heterogeneity and magnetic features to facilitate the MCR synthetic reactions of 9-phenyl hexahydroacridine pharmaceutical derivatives.
Hyperthermia evaluation and drug/protein-controlled release using alternating magnetic field stimuli-responsive Mn–Zn ferrite composite particles
Authors: Montha Wararat , Maneeprakorn Weerakanya , Tang I-Ming , Pon-On Weeraphat
Published: November 2020

Drug delivery particles in which the release of biomolecules is triggered by a magnetic simulant have attracted much attention and may have great potential in the fields of cancer therapy and tissue regenerative medicine.
Effects of the support on bifunctional one-step synthesis of methylal via methanol oxidation catalysed by Fe–Mo-based bifunctional catalysts
Authors: Yuan Meng , Tang Ruiyuan , Sun Xiangyu , Zhang Zhimei , Tian Yuanyu , Qiao Yingyun
Published: November 2020

In the one-step preparation of methylal from methanol, achieving high methanol conversion and high methylal yield is a huge challenge.
Euclid: Identification of asteroid streaks in simulated images using StreakDet software
Authors: Pöntinen M. , Granvik M. , Nucita A. A. , Conversi L. , Altieri B. , Auricchio N. , Bodendorf C. , Bonino D. , Brescia M. , Capobianco V. , Carretero J. , Carry B. , Castellano M. , Cledassou R. , Congedo G. , Corcione L. , Cropper M. , Dusini S. , Frailis M. , Franceschi E. , Fumana M. , Garilli B. , Grupp F. , Hormuth F. , Israel H. , Jahnke K. , Kermiche S. , Kitching T. , Kohley R. , Kubik B. , Kunz M. , Laureijs R. , Lilje P. B. , Lloro I. , Maiorano E. , Marggraf O. , Massey R. , Meneghetti M. , Meylan G. , Moscardini L. , Padilla C. , Paltani S. , Pasian F. , Pires S. , Polenta G. , Raison F. , Roncarelli M. , Rossetti E. , Saglia R. , Schneider P. , Secroun A. , Serrano S. , Sirri G. , Taylor A. N. , Tereno I. , Toledo-Moreo R. , Valenziano L. , Wang Y. , Wetzstein M. , Zoubian J.
Published: November 2020

Context.The ESAEuclidspace telescope could observe up to 150 000 asteroids as a side product of its primary cosmological mission. Asteroids appear as trailed sources, that is streaks, in the images. Owing to the survey area of 15 000 square degrees and the number of sources, automated methods have to be used to find them.Euclidis equipped with a visible camera, VIS (VISual imager), and a near-infrared camera, NISP (Near-Infrared Spectrometer and Photometer), with three filters.

Aims.We aim to develop a pipeline to detect fast-moving objects inEuclidimages, with both high completeness and high purity.

Methods.We tested theStreakDetsoftware to find asteroids from simulatedEuclidimages. We optimized the parameters ofStreakDetto maximize completeness, and developed a post-processing algorithm to improve the purity of the sample of detected sources by removing false-positive detections.

Results.StreakDetfinds 96.9% of the synthetic asteroid streaks with apparent magnitudes brighter than 23rd magnitude and streak lengths longer than 15 pixels (10 arcsec h−1), but this comes at the cost of finding a high number of false positives. The number of false positives can be radically reduced with multi-streak analysis, which utilizes all four dithers obtained byEuclid.

Conclusions.StreakDetis a good tool for identifying asteroids inEuclidimages, but there is still room for improvement, in particular, for finding short (less than 13 pixels, corresponding to 8 arcsec h−1) and/or faint streaks (fainter than the apparent magnitude of 23).
Modeling of magneto-rotational stellar evolution
Authors: Takahashi K. , Langer N.
Published: November 2020

While magnetic fields have long been considered significant for the evolution of magnetic non-degenerate stars and compact stars, it has become clear in recent years that, in fact, all stars are deeply affected by their effects. This is particularly true regarding their internal angular momentum distribution, but magnetic fields may also influence internal mixing processes and even the fate of the star. We propose a new framework for stellar evolution simulations in which the interplay between magnetic field, rotation, mass loss, and changes in the stellar density and temperature distributions are treated self-consistently. For average large-scale stellar magnetic fields that are symmetric to the axis of the rotation of the star, we derive 1D evolution equations for the toroidal and poloidal components from the mean-field magnetohydrodynamic equation by applying Alfvén’s theorem; and, hence, a conservative form of the angular momentum transfer due to the Lorentz force is formulated. We implement our formalism into a numerical stellar evolution code and simulate the magneto-rotational evolution of 1.5M⊙stars. The Lorentz force aided by the Ω effect imposes torsional Alfvén waves propagating through the magnetized medium, leading to near-rigid rotation within the Alfvén timescale. Our models, with different initial spins andB-fields, can reproduce the main observed properties of Ap/Bp stars. Calculations that are extended to the red-giant regime show a pronounced core-envelope coupling, which are capable of reproducing the core and surface rotation periods already determined by asteroseismic observations.
Investigation on the control of multiphase flow behavior in a continuous casting tundish during ladle change
Authors: Xu Rui , Ling Haitao , Wang Haijun , Chang Lizhong , Qiu Shengtao
Published: November 2020

The transient multiphase flow behavior in a single-strand tundish during ladle change was studied using physical modeling. The water and silicon oil were employed to simulate the liquid steel and slag. The effect of the turbulence inhibitor on the slag entrainment and the steel exposure during ladle change were evaluated and discussed. The effect of the slag carry-over on the water-oil-air flow was also analyzed. For the original tundish, the top oil phase in the impact zone was continuously dragged into the tundish bath and opened during ladle change, forming an emulsification phenomenon. By decreasing the liquid velocities in the upper part of the impact zone, the turbulence inhibitor decreased considerably the amount of entrained slag and the steel exposure during ladle change, thereby eliminating the emulsification phenomenon. Furthermore, the use of the TI-2 effectively lowered the effect of the slag carry-over on the steel cleanliness by controlling the movement of slag droplets. The results from industrial trials indicated that the application of the TI-2 reduced considerably the number of linear inclusions caused by ladle change in hot-rolled strip coils.
Postoperative Bestrahlung von Mundhöhlenkarzinomen
Authors: Krome Susanne
Published: November 2020

Plattenepithelkarzinome der Mundhöhle (OCSCC) werden in 1. Linie operativ behandelt. Bei ungünstigen Risikoprofilen erfolgt anschließend eine Radiatio/Radiochemotherapie. Verlängerte Intervalle von Operation und Bestrahlungsbeginn sowie vorzeitige Therapieabbrüche verkürzten das Überleben. In einer retrospektiven Studie aus Taiwan wirkten sich auch verpasste Sitzungen ungünstig aus. Dabei wurden Auslasser in der frühen und späten Behandlungsphase unterschieden.
Impedance planimetry values for predicting clinical response following peroral endoscopic myotomy
Authors: Moran Robert A. , Brewer Gutierrez Olaya I. , Rahden Burkhard , Chang Kenneth , Ujiki Michael , Yoo In Kyung , Gulati Shraddha , Romanelli John , Al-Nasser Mohammed , Shimizu Toshitaka , Hedberg Mason H. , Cho Joo Young , Hayee Bu , Desilets David , Filser Jörg , Fortinsky Kyle , Haji Amyn , Fayad Lea , Sanaei Omid , Dbouk Mohamad , Kumbhari Vivek , Wolf Bethany J. , Elmunzer B. Joseph , Khashab Mouen A.
Published: November 2020

Background There is growing interest in developing impedance planimetry as a tool to enhance the clinical outcomes for endoscopic and surgical management of achalasia. The primary aim of this study was to determine whether impedance planimetry measurements can predict clinical response and reflux following peroral endoscopic myotomy (POEM).

Methods A multicenter cohort study of patients with achalasia undergoing POEM was established from prospective databases and retrospective chart reviews. Patients who underwent impedance planimetry before and after POEM were included. Clinical response was defined as an Eckardt score of ≤ 3. Tenfold cross-validated area under curve (AUC) values were established for the different impedance planimetry measurements associated with clinical response and reflux development.

Results Of the 290 patients included, 91.7 % (266/290) had a clinical response and 39.4 % (108/274) developed reflux following POEM. The most predictive impedance planimetry measurements for a clinical response were: percent change in cross-sectional area (%ΔCSA) and percent change in distensibility index (%ΔDI), with AUCs of 0.75 and 0.73, respectively. Optimal cutoff values for %ΔCSA and %ΔDI to determine a clinical response were a change of 360 % and 272 %, respectively. Impedance planimetry values were much poorer at predicting post-POEM reflux, with AUCs ranging from 0.40 to 0.62.

Conclusion Percent change in CSA and distensibility index were the most predictive measures of a clinical response, with a moderate predictive ability. Impedance planimetry values for predicting reflux following POEM showed weak predictive capacity.
Study of Additive Effect of Yoga and Physical Therapies to Standard Pharmacologic Treatment in Migraine
Authors: Mehta Jigar N. , Parikh Shweta , Desai Soaham D. , Solanki Rachna C. , G. Pathak Ajay
Published: November 2020

Objective We aimed to evaluate and compare the effectiveness of physical and yoga therapies as an adjuvant therapy along with standard pharmacologic treatment in patients with migraine.

Materials and Methods A total of 61 consenting patients diagnosed to have migraine were randomized into three groups to receive either standard treatment alone, physical therapy along with standard treatment, or yoga therapy along with standard treatment. The respective adjuvant intervention was taught to the respective group of patients and they were advised to perform it daily for 3 months with weekly telephonic reminders and review of their activity logs. Outcome measures assessed were headache frequency, Short-Form McGill Pain Questionnaire (SF-MPQ), and Headache Impact Test-6 (HIT-6) at recruitment and once every month for 3 months.

Statistical Analysis Statistical analysis of the study was done by using Stata 14.1 software. All the descriptive statistics, paired t-test was used to compare the difference between pre and postintervention values of headache frequency, SF-MPQ, and HIT-6 score within all the three groups. Analysis of variance test and post hoc test were used to compare the differences between all groups for outcome measures (p < 0.05).

Results Headache frequency and the visual analog scale before intervention compared during each month intervals for 3 months in all the three groups were significantly decreased in all the three groups (p < 0.005). Yoga or physical therapy as an adjuvant to standard treatment leads to a higher reduction in headache frequency and severity. Sensory and affective pain ratings of SF-MPQ and HIT-6 also showed a significant improvement at 1 to 3 months of treatment compared with baseline in all the three groups.

Conclusion Either physical or yoga therapy as an adjuvant to standard pharmacologic treatment may further improve the quality of life and reduce headache frequency in patients with migraine.
Sacral Giant Cell Tumor-Induced Cauda Equina Syndrome: Case Report with Successful Management
Authors: Singh Saraj K. , Kumar Avinash , Nigam Jitendra
Published: November 2020

Sacral giant cell tumor (GCT) is a rare entity. It often presents late after massive enlargement of tumor. Here we are reporting a case of sacral GCT treated successfully at our institute. A 30-year-old male patient presented with paraplegia, significant sensory disturbance below L2 level, along with severe vesicorectal dysfunction. On imaging, giant mass was seen filling the sacrum with homogenous enhancement and flow voids from L5 level to S4 level. The patient underwent surgical exploration with L4–5 decompressive laminectomy, near-total resection of tumor, and lumboiliac fixation. The patient recovered symptomatically in postoperative period. Sacral GCT is a rare but treatable lesion. Its presentation as sudden cauda equina syndrome is rare, but final management should be aggressive with en bloc resection and fixation.
Leveraging the UMLS As a Data Standard for Rare Disease Data Normalization and Harmonization
Authors: Zhu Qian , Nguyen Dac-Trung , Sid Eric , Pariser Anne
Published: November 2020

Objective In this study, we aimed to evaluate the capability of the Unified Medical Language System (UMLS) as one data standard to support data normalization and harmonization of datasets that have been developed for rare diseases. Through analysis of data mappings between multiple rare disease resources and the UMLS, we propose suggested extensions of the UMLS that will enable its adoption as a global standard in rare disease.

Methods We analyzed data mappings between the UMLS and existing datasets on over 7,000 rare diseases that were retrieved from four publicly accessible resources: Genetic And Rare Diseases Information Center (GARD), Orphanet, Online Mendelian Inheritance in Men (OMIM), and the Monarch Disease Ontology (MONDO). Two types of disease mappings were assessed, (1) curated mappings extracted from those four resources; and (2) established mappings generated by querying the rare disease-based integrative knowledge graph developed in the previous study.

Results We found that 100% of OMIM concepts, and over 50% of concepts from GARD, MONDO, and Orphanet were normalized by the UMLS and accurately categorized into the appropriate UMLS semantic groups. We analyzed 58,636 UMLS mappings, which resulted in 3,876 UMLS concepts across these resources. Manual evaluation of a random set of 500 UMLS mappings demonstrated a high level of accuracy (99%) of developing those mappings, which consisted of 414 mappings of synonyms (82.8%), 76 are subtypes (15.2%), and five are siblings (1%).

Conclusion The mapping results illustrated in this study that the UMLS was able to accurately represent rare disease concepts, and their associated information, such as genes and phenotypes, and can effectively be used to support data harmonization across existing resources developed on collecting rare disease data. We recommend the adoption of the UMLS as a data standard for rare disease to enable the existing rare disease datasets to support future applications in a clinical and community settings.
Agreement between the Clinical and Autopsy Results of Children Who Died with Pneumonia in Pediatric Intensive Care
Authors: Vásquez-Hoyos Pablo , Bernal-Peña Laura C. , Castro-Gómez Daniel A. , Jaramillo Lina , Polo José F. , Parra-Medina Rafael
Published: November 2020

This study aimed to measure the agreement between the clinical and anatomopathological results of children who died with pneumonia from two pediatric intensive care units. Pediatric patients chosen were those who died between January 2008 and December 2015. The agreement was tested with Kappa. A total of 111 autopsies were included. Upon autopsy, 58 had pneumonia, 33 had it clinically and pathologically, 24 only clinically, and one only in autopsy. The Kappa agreement was 0.5 (95% confidence interval of 0.4 to 0.7). The level of agreement between the clinic and the autopsy is moderate. However, the consistency in cases of clinical pneumonia is low.
Acquired Brain Injury in the Pediatric Intensive Care Unit: Special Considerations for Delirium Protocols
Authors: Ubeda Tikkanen Ana , Kudchadkar Sapna R. , Goldberg Sarah W. , Suskauer Stacy J.
Published: November 2020

The goal of this article was to highlight the overlapping nature of symptoms of delirium and acquired brain injury (ABI) in children and similarities and differences in treatment, with a focus on literature supporting an adverse effect of antipsychotic medications on recovery from brain injury. An interdisciplinary approach to education regarding overlap between symptoms of delirium and ABI is important for pediatric intensive care settings, particularly at this time when standardized procedures for delirium screening and management are being increasingly employed. Development of treatment protocols specific to children with ABI that combine both nonpharmacologic and pharmacologic strategies will reduce the risk of reliance on treatment strategies that are less preferred and optimize care for this population.
Photochemistry simulations dramatically improve reliability and reproducibility
Authors: Johnson-Groh Mara
Published: November 2020

A method for simulating surface hopping in photochemical applications uses cumulative probabilities to improve reproducibility.
Using nanoparticle-mediated photoporation to enable intracellular molecular delivery
Authors: McConnon Aili
Published: November 2020

Energy transduction from lasers to nanoparticles, vapor bubbles and cells investigated to better understand cell membrane poration and intracellular delivery.
Next-generation detectors will provide new insights for nanoscale materials science
Authors: Liebendorfer Adam
Published: November 2020

High-efficiency scanning transmission electron microscopy provides new ways to study the crystallography of pharmaceuticals and biological systems.
3D printed spherical environmental chamber for neutron reflectometry and grazing-incidence small-angle neutron scattering experiments
Authors: Widmann Tobias , Kreuzer Lucas P. , Mangiapia Gaetano , Haese Martin , Frielinghaus Henrich , Müller-Buschbaum Peter
Published: November 2020

In neutron scattering on soft matter, an important concern is the control and stability of environmental conditions surrounding the sample. Complex sample environment setups are often expensive to fabricate or simply not achievable by conventional workshop manufacturing. We make use of state-of-the-art 3D metal-printing technology to realize a sample environment for large sample sizes, optimized for investigations on thin film samples with neutron reflectometry (NR) and grazing-incidence small-angle neutron scattering (GISANS). With the flexibility and freedom of design given by 3D metal-printing, a spherical chamber with fluidic channels inside its walls is printed from an AlSi10Mg powder via selective laser melting (SLM). The thin channels ensure a homogeneous heating of the sample environment from all directions and allow for quick temperature switches in well-equilibrated atmospheres. In order to optimize the channel layout, flow simulations were carried out and verified in temperature switching tests. The spherical, edgeless design aids the prevention of condensation inside the chamber in case of high humidity conditions. The large volume of the sample chamber allows for high flexibility in sample size and geometry. While a small-angle neutron scattering (SANS) measurement through the chamber walls reveals a strong isotropic scattering signal resulting from the evenly orientated granular structure introduced by SLM, a second SANS measurement through the windows shows no additional background originating from the chamber. Exemplary GISANS and NR measurements in time-of-flight mode are shown to prove that the chamber provides a stable, background free sample environment for the investigation of thin films.
Verification of local electrostatic gyrokinetic simulation of driftwave instability in field-reversed configuration
Authors: Sun Shuying , Wei Xishuo , Lin Zhihong , Liu Pengfei , Wang Wenhao , Xie Huasheng
Published: November 2020

Local linear simulations of ion temperature gradient (ITG) instabilities using a gyrokinetic particle code GKD1D have been verified by comparing with the analytic dispersion relation in the slab geometry and by benchmarking with a global gyrokinetic code GTC-X in a realistic field-reversed configuration (FRC). Results of ITG simulations using either adiabatic or kinetic electrons exhibit excellent agreements between the two codes for linear frequencies, growth rates, and mode structures. The ITG modes in the FRC scrape-off layer region are mostly dominated by the poloidal m=1 harmonic. Kinetic electrons enhance the subdominant m=2 harmonic and the even parity dominates the ITG mode structure. Kinetic electrons increase the growth rates for the low-n modes, but decrease the growth rates for the high-n modes.
Photoemission electron microscopy of magneto-ionic effects in La0.7Sr0.3MnO3
Authors: Wilhelm Marek , Giesen Margret , Duchoň Tomáš , Moors Marco , Mueller David N. , Hackl Johanna , Baeumer Christoph , Hamed Mai Hussein , Cao Lei , Zhang Hengbo , Petracic Oleg , Glöß Maria , Cramm Stefan , Nemšák Slavomír , Wiemann Carsten , Dittmann Regina , Schneider Claus M. , Müller Martina
Published: November 2020

Magneto-ionic control of magnetism is a promising route toward the realization of non-volatile memory and memristive devices. Magneto-ionic oxides are particularly interesting for this purpose, exhibiting magnetic switching coupled to resistive switching, with the latter emerging as a perturbation of the oxygen vacancy concentration. Here, we report on electric-field-induced magnetic switching in a La0.7Sr0.3MnO3 (LSMO) thin film. Correlating magnetic and chemical information via photoemission electron microscopy, we show that applying a positive voltage perpendicular to the film surface of LSMO results in the change in the valence of the Mn ions accompanied by a metal-to-insulator transition and a loss of magnetic ordering. Importantly, we demonstrate that the voltage amplitude provides granular control of the phenomena, enabling fine-tuning of the surface electronic structure. Our study provides valuable insight into the switching capabilities of LSMO that can be utilized in magneto-ionic devices.
Cysteine cathepsins are altered by flow within an engineered in vitro microvascular niche
Authors: Douglas Simone A. , Haase Kristina , Kamm Roger D. , Platt Manu O.
Published: November 2020

Throughout the process of vascular growth and remodeling, the extracellular matrix (ECM) concurrently undergoes significant changes due to proteolytic activity—regulated by both endothelial and surrounding stromal cells. The role of matrix metalloproteinases has been well-studied in the context of vascular remodeling, but other proteases, such as cysteine cathepsins, could also facilitate ECM remodeling. To investigate cathepsin-mediated proteolysis in vascular ECM remodeling, and to understand the role of shear flow in this process, in vitro microvessels were cultured in previously designed microfluidic chips and assessed by immunostaining, zymography, and western blotting. Primary human vessels (HUVECs and fibroblasts) were conditioned by continuous fluid flow and/or small molecule inhibitors to probe cathepsin expression and activity. Luminal flow (in contrast to static culture) decreases the activity of cathepsins in microvessel systems, despite a total protein increase, due to a concurrent increase in the endogenous inhibitor cystatin C. Observations also demonstrate that cathepsins mostly co-localize with fibroblasts, and that fibrin (the hydrogel substrate) may stabilize cathepsin activity in the system. Inhibitor studies suggest that control over cathepsin-mediated ECM remodeling could contribute to improved maintenance of in vitro microvascular networks; however, further investigation is required. Understanding the role of cathepsin activity in in vitro microvessels and other engineered tissues will be important for future regenerative medicine applications.
Experimental investigation of the separation of binary gaseous mixtures flowing through a capillary tube
Authors: Gao Rongkang , O’Byrne Sean , Sharipov Felix , Liow Jong-Leng
Published: November 2020

This paper presents an optical method to investigate the separation phenomenon for the flow of a near-equimolar mixture of carbon dioxide and helium through a hollow-core photonic crystal fiber using tunable diode laser absorption spectroscopy to measure the temporal evolution of the path-integrated absorption of carbon dioxide. The gas flow was initiated by a pressure difference between two gas cells, each connected to one end of the fiber under isothermal conditions. The change in path-integrated concentration of CO2 over time was used to infer the separation of the gases, defined as the dimensionless quantity Φ in this paper. To investigate the effects of pressure ratio and rarefaction on the separation phenomenon, these parameters were varied in the experiments. The separation Φ increases from zero with no pressure gradient, reaching an asymptotic maximum value for pressure ratios exceeding 20. To examine the effect of rarefaction on Φ, measurements have been conducted for the binary mixture flowing into near-vacuum, covering a range of inlet Knudsen numbers (Kn) between 0.016 and 2. The separation Φ increases with Kn for 0.01 < Kn < 0.1, reaching a peak value at Kn ≈ 0.1, and then decreases with a further increase in Kn. This effect has not previously been noted in the literature. The experimental results are compared with a numerical model, demonstrating good agreement. Based on these findings, we have summarized the necessary conditions for carbon dioxide/helium separation to occur inside a capillary tube, which can be used as a mechanism for small-scale gas separation applications.
Evolution of the electrical characteristics of Cu(In,Ga)Se2 devices with sodium content
Authors: Czudek A. , Eslam A. , Urbaniak A. , Zabierowski P. , Wuerz R. , Igalson M.
Published: November 2020

The impact of sodium on the electrical properties of Cu(In,Ga)Se2 (CIGS) thin films and corresponding solar cells was investigated by preparing nearly alkali-free CIGS layers and doping them with different Na amounts via NaF post-deposition treatment (PDT) at temperatures between 110 and 400 °C. The mean Na concentrations in the CIGS layers ranged from 0.1 to 400 ppm. Sodium was found also in the grain interior even for the lowest PDT temperature. All samples were subjected to extensive electrical characterization: current–voltage, capacitance profiling, conductivity, steady-state, and transient capacitance spectroscopy. A continuous increase in open-circuit voltage VOC and fill factor FF, an accompanying increase in hole density and mobility, and a decrease in secondary barriers responsible for the distortion of current–voltage characteristics were observed with increasing sodium content. An abrupt change in defect spectra and a dominant transport mechanism was found for PDT temperatures T(PDT) of ≥150 °C. We attribute a further improvement in VOC observed above 150 °C PDT temperature to the reduced concentration of recombination centers with increased sodium content. An explanation of both gradual evolution and the abrupt change is proposed based on passivation of grain boundaries and interfaces by sodium.
Detectors—The ongoing revolution in scanning transmission electron microscopy and why this important to material characterization
Authors: MacLaren Ian , Macgregor Thomas A. , Allen Christopher S. , Kirkland Angus I.
Published: November 2020

Detectors are revolutionizing possibilities in scanning transmission electron microscopy because of the advent of direct electron detectors that record at a high quantum efficiency and with a high frame rate. This allows the whole back focal plane to be captured for each pixel in a scan and the dataset to be processed to reveal whichever features are of interest. There are many possible uses for this advance of direct relevance to understanding the nano- and atomic-scale structure of materials and heterostructures. This article gives our perspective of the current state of the field and some of the directions where it is likely to go next. First, a wider overview of the recent work in this area is given before two specific examples of its application are given: one is imaging strain in thin films and the other one is imaging changes in periodicity along the beam direction as a result of the formation of an ordered structure in an epitaxial thin film. This is followed by an outlook that presents future possible directions in this rapidly expanding field.
Persistence behavior of heat and momentum fluxes in convective surface layer turbulence
Authors: Chowdhuri Subharthi , Prabhakaran Thara , Banerjee Tirtha
Published: November 2020

The characterization of heat and momentum fluxes in wall-bounded turbulence is of paramount importance for a plethora of applications ranging from engineering to Earth sciences. Nevertheless, how the turbulent structures associated with velocity and temperature fluctuations interact to produce the emergent flux signatures has not been evident until now. In this work, we investigate this fundamental issue by studying the switching patterns of intermittently occurring turbulent fluctuations from one state to another, a phenomenon called persistence. We discover that the persistence patterns for heat and momentum fluxes are widely different. Moreover, we uncover power-law scaling and length scales of turbulent motions that cause this behavior. Furthermore, by separating the phases and amplitudes of flux events, we explain the origin and differences between heat and momentum transfer efficiencies in convective turbulence. Our findings provide a new understanding of the connection between flow organization and flux generation mechanisms, two cornerstones of turbulence research.
Atomic imprinting in the absence of an intrinsic length scale
Authors: Zhou Chao , Datye Amit , Chen Zheng , Simon Georg H. , Wang Xinzhe , Schroers Jan , Schwarz Udo D.
Published: November 2020

Bulk metallic glasses (BMGs) have successfully been used to replicate molds that are structured at the nano- and even atomic scale through thermoplastic forming (TPF), an ability that was speculated to be rooted in the glass’ featureless atomic structure. These previous demonstrations of atomically precise imprinting, however, were performed under conditions where mold atomic feature dimensions coincided with the unit cell size of constituents in the BMG. In order to evaluate if accurate atomic-scale replication is possible in general, i.e., independent of the accidental presence of favorable constituent size/feature size relationships, we have used Pt57.5Cu14.7Ni5.3P22.5 to replicate three different crystalline facets of LaAlO3 single crystals, each exposing distinct atomic step heights. We find that in all cases, the terraced surface termination can be copied with remarkable fidelity, corroborating that BMGs when thermoplastic formed are capable of adapting to any externally imposed confinement with sub-angstrom precision without being limited by factors related to the specifics of their internal structure. This unprecedented capability of quasi-limitless replication fidelity reveals that the deformation mechanism in the supercooled liquid state of BMGs is essentially homogeneous and suggests TPF of BMGs to be a versatile toolbox for atomic and precision nanoscale imprinting.
Machine learning open-loop control of a mixing layer
Authors: Li Hao , Tan Jianguo , Gao Zhengwang , Noack Bernd R.
Published: November 2020

We develop an open-loop control system using machine learning to destabilize and stabilize the mixing layer. The open-loop control law comprising harmonic functions is explored using the linear genetic programming in a purely data-driven and model-free manner. The best destabilization control law exhibits a square wave with two alternating duty cycles. The forced flow presents a 2.5 times increase in the fluctuation energy undergoing early multiple vortex-pairing. The best stabilization control law tames the mixing layer into pure Kelvin–Helmholtz vortices without following vortex-pairing. The 23% reduction of fluctuation energy is achieved under the dual high-frequency actuations.
Shear-induced dispersion in peristaltic flow
Authors: Chakrabarti Brato , Saintillan David
Published: November 2020

The effective diffusivity of a Brownian tracer in unidirectional flow is well known to be enhanced due to shear by the classic phenomenon of Taylor dispersion. At long times, the average concentration of the tracer follows a simplified advection–diffusion equation with an effective shear-dependent dispersivity. In this work, we make use of the generalized Taylor dispersion theory for periodic domains to analyze tracer dispersion by peristaltic pumping. In channels with small aspect ratios, asymptotic expansions in the lubrication limit are employed to obtain analytical expressions for the dispersion coefficient at both small and high Péclet numbers. Channels of arbitrary aspect ratios are also considered using a boundary integral formulation for the fluid flow coupled to a conservation equation for the effective dispersivity, which is solved using the finite-volume method. Our theoretical calculations, which compare well with results from Brownian dynamics simulations, elucidate the effects of channel geometry and pumping strength on shear-induced dispersion. We further discuss the connection between the present problem and dispersion due to Taylor’s swimming sheet and interpret our results in the purely diffusive regime in the context of Fick–Jacobs theory. Our results provide the theoretical basis for understanding passive scalar transport in peristaltic flow, for instance, in the ureter or in microfluidic peristaltic pumps.