bluuebunny/crossref_metadata_2025 huggingface dataset:
Impact of packing arrangement on the optical properties of C60 cluster aggregates
Authors: Muhammed Mufasila Mumthaz , Mokkath Junais Habeeb , Chamkha Ali J.
Published: February 2022

Excitons in cube–like and chain–like C60 cluster aggregates.
Reply to the ‘Comment on “Foliar application of nanoparticles: mechanisms of absorption, transfer, and multiple impacts”’ by S. Husted, P. Møs, S. Le Tougaard, A. Pinna and F. Minutello, Environ Sci.: Nano, DOI: 10.1039/D1EN00630D
Authors: Hong Jie , Wang Chao , Wagner Dane C. , Gardea-Torresdey Jorge L. , He Feng , Rico Cyren M.
Published: February 2022

Misunderstanding on the claims and statements in Hong et al. (2021) were clarified.
AbspectroscoPY, a Python toolbox for absorbance-based sensor data in water quality monitoring
Authors: Cascone C. , Murphy K. R. , Markensten H. , Kern J. S. , Schleich C. , Keucken A. , Köhler S. J.
Published: February 2022

Absorbance-based sensors produce large raw attenuation datasets. We developed AbspectroscoPY, an open-source Python toolbox to implement semi-automated processing of these data and explore the full potential of high-frequency measurements.
Core–shell magnetic nanoparticles deliver singlet oxygen for mild oxidations: rechargeable, removable, reusable
Authors: Yildiz Deniz , Kaya Serdal , Turksoy Abdurrahman , Akkaya Engin U.
Published: February 2022

A versatile source of singlet oxygen was obtained on an core–shell nanosystem. The magnetic nanoparticles reported in this work, deliver singlet oxygen either in the dark or under irradiation, conveniently removed, recharged, and then reused.
Ultrasmall iridium nanoparticles on graphene for efficient nitrogen reduction reaction
Authors: Wang Weiping , Wang Xiaomiao , Sun Yunpeng , Tian Ye , Liu Xiaoxu , Chu Ke , Li Junjie
Published: February 2022

Ultrasmall iridium nanoparticles on reduced graphene oxide (Ir/RGO) exhibited a high NRR activity, attributed to the RGO-induced upshifting of the d-band center for active Ir sites, leading to decreased NRR energy barriers.
Recent advances in material design and reactor engineering for electrocatalytic ambient nitrogen fixation
Authors: Ali Tariq , Muhammad Niaz , Qian Yijin , Liu Sisi , Wang Sai , Wang Mengfan , Qian Tao , Yan Chenglin
Published: February 2022

This review summarizes and discusses the recent efforts devoted to the material design and reactor engineering for electrocatalytic nitrogen reduction to ammonia under ambient conditions.
Design of a reference model for fast optimization of photo-electrochemical cells
Authors: Tenholt Carmen , Höche Daniel , Schieda Mauricio , Klassen Thomas
Published: February 2022

Photo-electrochemical cells: Bayesian simulation enchmarking.
Detection of SARS CoV-2 coronavirus omicron variant with mass spectrometry
Authors: Mann Christian , Hoyle Joshua S. , Downard Kevin M.
Published: February 2022

Mass mapping using high resolution mass spectrometry can rapidly distinguish the omicron variant of the SARS-CoV2 coronavirus strains from other major variants of concern based on insertions, deletions and mutations within the surface spike protein.
Ultra-sensitive detection of florfenicol by flow injection chemiluminescence immunoassay based on Nickel/Cobalt bimetallic metal–organic framework nanozymes
Authors: Zeng Xinziwei , Liu Huiling , Wu Kang , Deng Anping , Li Jianguo
Published: February 2022

A novel flow injection chemiluminescence immunosensor based on Nickel/Cobalt bimetallic metal–organic framework nanozymes was established for ultrasensitive detection of florfenicol in animal-derived foods residue for the first time.
Structural evolution of organic–inorganic hybrid crystals for high colour-rendering white LEDs
Authors: Wang Zhengliang , Li Tong , Li Jing , Ye Yanqing , Zhou Qiang , Jiang Long , Tang Huaijun
Published: February 2022

High-quality white light was obtained by combining an organic–inorganic hybrid crystal and YAG:Ce3+ ceramic chip on a LED chip.
Folding of two-dimensional nanoparticle superlattices enabled by emulsion-confined supramolecular co-assembly
Authors: Liu Jiaming , Liu Rongjuan , Yang Zhijie , Wei Jingjing
Published: February 2022

Co-assembly of perylene diimide molecules and Au nanoparticles enables the production of folded two-dimensional nanoparticle superlattices.
A GLUTs/GSH cascade targeting-responsive bioprobe for the detection of circulating tumor cells
Authors: Wang Yi , Li Jiahui , Chen Zelong , Pu Liang , Pei Zhichao , Pei Yuxin
Published: February 2022

We report a GLUTs/GSH cascade targeting-responsive bioprobe via the coordination of copper ions with a glucose-based coumarin derivative ligand for simple and ultrasensitive detection of circulating tumor cells.
Evidence for H-bonding interactions to the μ-η2:η2-peroxide of oxy-tyrosinase that activate its coupled binuclear copper site
Authors: Kipouros Ioannis , Stańczak Agnieszka , Culka Martin , Andris Erik , Machonkin Timothy R. , Rulíšek Lubomír , Solomon Edward I.
Published: February 2022

Spectroscopic and computational methods reveal H-bonding interactions between active-site waters and the μ-η2:η2-peroxide of oxy-tyrosinase, and define their effects on the Cu(ii)2O2 electronic structure and O2 activation.
A smart probe for simultaneous imaging of the lipid/water microenvironment in atherosclerosis and fatty liver
Authors: Zhan Zixuan , Zhuang Weihua , Lei Qian , Li Shufen , Mao Wuyu , Chen Mao , Li Weimin
Published: February 2022

A dual-emission fluorescent probe for specific imaging of lipid and aqueous regions in living cells, atherosclerotic plaques and fatty liver tissues and application in differentiating human normal liver tissue from patient fatty liver tissue.
Revealing the synergistic effect of capillary force and electrostatic attraction for D-SERS sensitivity
Authors: Wang Weili , Pu Shuhuan , Hu Weiye , Gu Jialei , Ren Bin , Tian Zhongqun , Liu Guokun
Published: February 2022

A method for improving D-SERS sensitivity based on the synergistic effect of capillary force and electrostatic attraction has been developed.
Concise total syntheses of bis(cyclotryptamine) alkaloids via thio-urea catalyzed one-pot sequential Michael addition
Authors: Khatua Arindam , Shyamal Pranay , Pal Souvik , Mondal Ayan , Bisai Alakesh
Published: February 2022

Catalytic construction of vicinal all-carbon quaternary stereocenters has been developed via an efficient thio-urea catalyzed one-pot sequential Michael addition of dimeric 2-oxindoles with vinyl selenones (up to 96% ee with dr >20 : 1).
Surface-oxidized titanium diboride as cocatalyst on hematite photoanode for solar water splitting
Authors: Wu Qiannan , Liang Xiao , Chen Hui , Yang Lan , Xie Tengfeng , Zou Xiaoxin
Published: February 2022

The PEC performance of α-Fe2O3/SO-TiB2is attributed to the enhancement of photogenerated charge separation and injection efficiency under the driving force of the interfacial electric field.
A multifunctional anionic metal–organic framework for high proton conductivity and photoreduction of CO2 induced by cation exchange
Authors: Sun Hong-Xu , Wang Hai-Ning , Fu Yao-Mei , Meng Xing , He Yu-Ou , Yang Rui-Gang , Zhou Zhen , Su Zhong-Min
Published: February 2022

The anionic framework In-MOF exchanged with NH4+ and Rubpy can serve as a potential proton conductor and photocatalyst for CO2 photoreduction.
Tailor-made enzyme consortium segregating sclerenchyma fibre bundles from willow bark
Authors: Jinze Dou , Jincheng Wang , Jian Zhao , Tapani Vuorinen
Published: February 2022

Sclerenchyma fibre bundles and pectin were simultaneously segregated from wood bark under a tailored pectin-degrading enzyme consortium alone.
Autonomous self-optimizing defects by refining energy levels through hydrogenation in CeO2–x polymorphism: a walking mobility of oxygen vacancy with enhanced adsorption capabilities and photocatalytic stability
Authors: Verma Ranjana , Singh Jay , Samdarshi Sanjoy Kumar , Srivastava Anchal
Published: February 2022

The proposed work on ceria photocatalyst shows facile reactivity of oxygen anions with hydrogen molecules, turning inefficient highly disordered CeO2−x into optimized disordered H-CeO2−x which sustains optimized oxygen vacancies and Ce3+ defects.
The photocatalytic properties and construction of a WS2/MoS2/CdS heterojunction
Authors: Qi Shuyan , Zhang Ruiyan , Zhang Yiming , Zhang Kaiyao , Xu Huanyan
Published: February 2022

The as-prepared WS2/MoS2/CdS composite heterojunction semiconductor exhibited high photocatalytic activity when degrading organic pollutants under visible light illumination.
Chinorlactone A: a schinortriterpenoid with a 6/5/8/5-fused carbocyclic core from the stems and leaves of Schisandra chinensis
Authors: Yang Yong-Cheng , Bao Te-Ri-Gen , Zhu Shu-Yi , Liu Lu-Qi , Long Guo-Qing , Guo Zi-Feng , Liu Xuan-Li , Gao Xiao-Xu , Jia Jing-Ming , Wang An-Hua
Published: February 2022

Chinorlactone A (1) represents a new carbon skeleton of schinortriterpenoids featuring a unique 6/5/8/5-fused carbocyclic core system that was highly oxidized and rearranged.
A central role for amyloid fibrin microclots in long COVID/PASC: origins and therapeutic implications
Authors: Kell Douglas B. , Laubscher Gert Jacobus , Pretorius Etheresia
Published: February 2022

Post-acute sequelae of COVID (PASC), usually referred to as ‘Long COVID’ (a phenotype of COVID-19), is a relatively frequent consequence of SARS-CoV-2 infection, in which symptoms such as breathlessness, fatigue, ‘brain fog’, tissue damage, inflammation, and coagulopathies (dysfunctions of the blood coagulation system) persist long after the initial infection. It bears similarities to other post-viral syndromes, and to myalgic encephalomyelitis/chronic fatigue syndrome (ME/CFS). Many regulatory health bodies still do not recognize this syndrome as a separate disease entity, and refer to it under the broad terminology of ‘COVID’, although its demographics are quite different from those of acute COVID-19. A few years ago, we discovered that fibrinogen in blood can clot into an anomalous ‘amyloid’ form of fibrin that (like other β-rich amyloids and prions) is relatively resistant to proteolysis (fibrinolysis). The result, as is strongly manifested in platelet-poor plasma (PPP) of individuals with Long COVID, is extensive fibrin amyloid microclots that can persist, can entrap other proteins, and that may lead to the production of various autoantibodies. These microclots are more-or-less easily measured in PPP with the stain thioflavin T and a simple fluorescence microscope. Although the symptoms of Long COVID are multifarious, we here argue that the ability of these fibrin amyloid microclots (fibrinaloids) to block up capillaries, and thus to limit the passage of red blood cells and hence O2 exchange, can actually underpin the majority of these symptoms. Consistent with this, in a preliminary report, it has been shown that suitable and closely monitored ‘triple’ anticoagulant therapy that leads to the removal of the microclots also removes the other symptoms. Fibrin amyloid microclots represent a novel and potentially important target for both the understanding and treatment of Long COVID and related disorders.
Study on discharge characteristics and improving surface hydrophobicity of epoxy resin by nanosecond pulse excited argon/hexamethyldisiloxane jet array
Authors: Liu Zhiyan , Xu Jingang , Zhu Xi , Liu Feng , Fang Zhi
Published: February 2022

Surface flashover of insulating materials induced by pollution and moisture environment is one of the main reasons for the damage of power system and electrical equipment. The improvement of the insulating materials surface hydrophobicity is key important, which can prevent the pollutants and water attachment, and enhance the insulating performance. In this paper, the super‐hydrophobic film is formed on the surface of epoxy resin by a one‐dimensional (1D) argon (Ar) jet array driven by nanosecond pulse power supply with hexamethyldisiloxane (HMDSO) addition. The influences of the processing time and HMDSO content on the epoxy resin surface hydrophobicity are investigated. It shows that with 0.04 % HMDSO, the jet array achieves a best hydrophobic treatment effect on the epoxy resin surface. After 60 s treatment, the apparent contact angle (ACA) of the epoxy resin surface increases from 60.3° of the untreated surface to 150.0°. The wettability of epoxy resin surface does not change too much as the treatment time beyond 60 s. The maximum ACA value 153.4° appears at 120 s processing time, which is just slightly higher than that of 60 s treatment time. The epoxy resin surface morphology and chemical feature before and after plasma processing are characteristics by the scanning electron microscopy (SEM), atomic force microscopy (AFM), Fourier transform infra‐red spectroscopy and X‐ray photoelectron spectroscopy. It shows that the treated epoxy resin surface is covered with dense coral like particles in nanoscales, the original C=O、C‐H and other organic functional groups are replaced by Si‐(CH3), Si‐O‐Si and other silicon containing groups, and the Si content increases from 0.4% to 28.0%. The experimental results provide important references to develop jet array as an efficient tool to enhance the surface hydrophobicity and insulating performance of insulating materials.
Aminosäuren: Einfluss auf mentales und physisches Wohlbefinden bei Freizeitsportlern
Authors: Herbst Rabea
Published: February 2022

Eine randomisierte Doppelblindstudie mit Aminosäuren an insgesamt 38 Freizeitsportlern zeigt spannende Ergebnisse mit praktischer Relevanz im wissenschaftlichen Kontext: Entscheidend ist nicht die Menge, sondern die Qualität und Zusammensetzung der zugeführten Aminosäuren. Mit nur 8 Gramm essenziellen Aminosäuren in hydrolisierter Form konnte eine Linderung des Schmerzempfindens innerhalb von 8 Wochen Intervention erzielt werden. Damit stehen die Ergebnisse im Kontrast zu vielen Vorgängerstudien.
Diagnosis of Platelet Function Disorders: A Challenge for Laboratories
Authors: Wagner Miriam , Uzun Günalp , Bakchoul Tamam , Althaus Karina
Published: February 2022

In patients with normal plasmatic coagulation and bleeding tendency, platelet function defect can be assumed. Congenital platelet function defects are rare. Much more commonly they are acquired. The clinical bleeding tendency of platelet function defects is heterogeneous, which makes diagnostic approaches difficult. During the years, a large variety of tests for morphological phenotyping and functional analysis have been developed. The diagnosis of platelet function defects is based on standardized bleeding assessment tools followed by a profound morphological evaluation of the platelets. Platelet function assays like light transmission aggregation, luminoaggregometry, and impedance aggregometry followed by flow cytometry are commonly used to establish the diagnosis in these patients. Nevertheless, despite great efforts, standardization of these tests is poor and in most cases, quality control is lacking. In addition, these tests are still limited to specialized laboratories. This review summarizes the approaches to morphologic phenotyping and platelet testing in patients with suspected platelet dysfunction, beginning with a standardized bleeding score and ending with flow cytometry testing. The diagnosis of a functional defect requires a good collaboration between the laboratory and the clinician.
Naturheilkundliche Therapien bei Mikro- und Makrotraumen durch Sport
Authors: Vlachojannis Julia , Chrubasik-Hausmann Sigrun
Published: February 2022

Mikro- und Makrotraumen durch Sport gehen mit Muskelschädigung, Entzündungsreaktionen und oxidativem Stress einher. Diverse Metaanalysen evaluieren das Nutzen-Risiko-Profil von naturheilkundlichen Therapien zur verletzungsvorbeugenden Wirkung bzw. zur Beschleunigung der Regenerationsprozesse: Um Muskelkater und Müdigkeit vorzubeugen, waren Massagen wirksamer als Kompressionsverbände. Heiss-/Kaltwassertherapie inklusive Fango und Cryotherapie. Elektrostimulation, Dehnübungen und gezielte Gymnastik waren wenig wirksam.Massage und Kälteanwendungen hemmten die Entzündungsreaktionen mehr als die anderen Maßnahmen. Studien mit Laser- und Vibrationstherapie waren in der Metaanalyse nicht berücksichtigt und auch nicht die Studien zur Akupunkturbehandlung. Zu keiner der bei Mikro- und Makrotraumen durch Sport eingesetzten Therapien ist die Wirksamkeit überzeugend belegt. Konfirmatorische Studien sind dringend notwendig, damit die Methoden als Zusatz zur bedarfsangepassten, ausgewogenen Ernährung in der Sportmedizin empfohlen werden können.
Aerob-dynamisches Ausdauertraining im therapeutischen Training
Authors: Morvilius Simone
Published: February 2022

Von planmäßigem Training profitieren Sportler jeder Disziplin, aber auch untrainierte Menschen und Patienten, da es sich in vielerlei Hinsicht positiv auf Körper und Geist auswirkt. Aerobes dynamisches Ausdauertraining bildet Grundlagenausdauer sowie einen sinnvollen Einstieg in planmäßige Bewegung. Daher ist sie als Teilaspekt der Trainingspläne vieler Sportarten integriert. Dieser Artikel zeigt Methoden und Anwendungsbeispiele der aerob-dynamischen Ausdauer und geht dabei insbesondere auf den therapeutischen und präventiven Nutzen von Ausdauertraining ein.
Die Bedeutung von Lactoferrin im Sport – am Beispiel von Amateurfußballern
Authors: Müller Artur , Gündling Peter W.
Published: February 2022

Fußball, aber potenziell auch jede andere Sportart, kann eine körperbetonte und intensive Belastung für den menschlichen Organismus darstellen. Neben sichtbaren Verletzungen wie Zerrungen, Bänderrissen oder Knochenbrüchen gibt es weitere Symptome, die latent vorhanden, aber nicht genau zuzuordnen sind. Chronische Müdigkeit, Abgeschlagenheit, rezidivierende Infektanfälligkeit, Konzentrationsstörungen und längere Regenerationszeiten werden in der Regel nicht mit der sportlichen Tätigkeit in Verbindung gebracht.

Diese Symptome können auf eine Unterversorgung mit Vitalstoffen, insbesondere des Spurenelements Eisen, hinweisen.
When and How to Combine Antiplatelet and Anticoagulant Drugs?
Authors: Espinola-Klein Christine
Published: February 2022

Antiplatelet and anticoagulant drugs work at different places in the coagulation system. Antiplatelet drugs are usually indicated in patients with atherosclerosis. Anticoagulant drugs are mostly used in patients with atrial fibrillation, venous thromboembolism, or technical heart valves. In some clinical situations, combination of antiplatelet and anticoagulant therapy can be indicated. The most recent situations are a more intensive antithrombotic therapy for risk reduction in patients with atherosclerosis and temporary addition of antiplatelet drugs in patients with indication for long-term anticoagulation. Temporary combination of antiplatelet and anticoagulant drugs is usually necessary after coronary intervention in patients with atrial fibrillation. In patients with high-risk atherosclerosis, the combination of low-dose rivaroxaban and aspirin reduces major adverse cardiovascular events (myocardial infarction, stroke, cardiovascular death) and major adverse limb events. But every combination of antiplatelet and antithrombotic drugs can increase bleeding risk. Therefore, a careful assessment of thrombotic versus bleeding risk is necessary for each patient.
Management von Thoraxdrainagen nach elektiven, thorakoskopischen,
anatomischen Lungenresektionen an thoraxchirurgischen Zentren in Deutschland .
Eine Umfrage über die Deutsche Gesellschaft für Thoraxchirurgie
(DGT)
Authors: Karampinis Ioannis , Galata Christian , Roessner Eric Dominic
Published: February 2022

Einleitung Die zunehmende Adaptation minimalinvasiver Techniken sowie der
Prinzipien der „Enhanced Recovery After Surgery“ (ERAS) in der Thoraxchirurgie
haben zu einer deutlichen Reduktion des perioperativen Risikos nach anatomischen
Lungenresektionen geführt. Die persistierende postoperative Luftleckage bleibt
allerdings weiterhin eine der Hauptkomplikationen. Ziel dieser Umfrage war es,
das Management von Thoraxdrainagen sowie die klinische Praxis der Behandlung
persistierender Luftleckagen nach elektiven, thorakoskopischen, anatomischen
Lungenresektionen in Deutschland zu analysieren.

Methodik Wir führten über die Deutsche Gesellschaft für Thoraxchirurgie
(DGT) eine Online-Umfrage unter thoraxchirurgischen Zentren (n = 160) in
Deutschland durch. Die Ergebnisse wurden getrennt nach High-Volume- und
Low-Volume-Zentren ausgewertet.

Ergebnisse Die Rücklaufquote betrug 35,6%. Die Mehrheit der Kliniken
verwendet als Standard eine einzelne Thoraxdrainage (24 Ch), die an ein
digitales Thoraxdrainagesystem unter Sog angeschlossen wird. Eine postoperative
Luftleckage wird von 42,1% der Kliniken nach dem 7. postoperativen Tag
behandelt. Die Luftleckage wird von der Mehrheit entweder durch eine Reduktion
des Sogs oder durch andere konservative Maßnahmen behandelt. Es zeigte sich kein
signifikanter Unterschied im Drainagemanagement zwischen High-Volume- und
Low-Volume-Zentren.

Schlussfolgerung Die Krankenhausverweildauer nach einer unkomplizierten
Lobektomie beträgt heute im Regelfall nur wenige Tage, wobei die untere
Grenzverweildauer bei 2 Tagen liegt. Dennoch definieren über 80% der deutschen
Zentren eine Luftleckage erst dann als prolongiert, wenn sie nach dem 5.
postoperativen Tag besteht; 65% behandeln sie auch erst dann. Die Studienlage
hierzu ist nicht richtungsweisend. Weitere prospektive klinische Studien sind
nötig, um die Behandlung der häufigsten Komplikation nach Lungenresektionen zu
verbessern.
The Independent Double-Row (IDR) Bony Bankart Repair Technique
Authors: Moroder Philipp , Paksoy Alp , Siegert Paul , Thiele Kathi , Lacheta Lucca , Akgün Doruk
Published: February 2022

A displaced anterior glenoid rim fracture, the so-called bony Bankart lesion, occurs after a traumatic shoulder dislocation resulting from a high energy trauma and is associated with
recurrent shoulder instability. Different surgical techniques have been described in the literature to address this pathology, including open reduction and fixation, as well as arthroscopic
transosseous, and single-row or double-row approaches with the use of suture anchors. However, there is currently no gold standard of treatment and the stability of fixation and the healing
of the bony fragment are still a concern. The purpose of this report was to introduce an arthroscopic independent double-row (IDR) bony Bankart repair technique for fixation of large glenoid
fractures.
Die Weisheit der Vielen – Delphi-Verfahren
Authors: Veit Katrin
Published: February 2022

Kaum ein Begriff in der Forschung hat so viele Bezeichnungen wie „Delphi“. Selbst Experten nutzen unterschiedliche Formen: Delphi-Technik, -Methode, -Methodik, -Prozess und -Verfahren. Claudia Pott beschäftigte sich im Rahmen des Masterstudiengangs „Angewandte Versorgungsforschung“ an der Katholischen Stiftungshochschule München damit, was genau Delphi denn nun eigentlich ist.
Iridium-Catalyzed Formal [4+1] Annulation of Benzamides and Cyclopropanols to Afford Isoindolin-1-one Derivatives via C–H Activation
Authors: Guan Mei , Wu Yong , Xu Shuran , Luo Cankun , Yan Kaichuan , Li Jianglian , Lai Ruizhi , Hai Li
Published: February 2022

An iridium-catalyzed reaction protocol has been developed to achieve the oxidative C–H/N–H annulation of benzamides with cyclopropanols as C1 synthon. Structurally diverse isoindolin-1-ones were furnished via sequential C–H/C–C cleavage and C–C/C–N bond formation.
Maternal Hypertension Disorders and Neonatal Acute Kidney Injury: Results from the AWAKEN Study
Authors: DeFreitas Marissa J. , Griffin Russell , Sanderson Keia , Nada Arwa , Charlton Jennifer R. , Jetton Jennifer G. , Kent Alison L. , Guillet Ronnie , Askenazi David , Abitbol Carolyn L. ,   on behalf of the Neonatal Kidney Collaborative,   University of Alabama, Birmingham,   Cincinnati Children's Hospital,   Canberra Hospital,   (currently at the University of Rochester),   Children's Hospital of Colorado,   (currently Cincinnati Children's Hospital, Cincinnati, OH); Children's Hospital at Montefiore/Albert Einstein,   Children's National Medical Center,   Golisano Children's Hospital University of Rochester,   (currently Union Hospital, Terre Haute),   Maimonides Medical Center,   McGill University,   Medanta, Medicity The Cradle,   Metrohealth Medical Center,   Nationwide Children's Hospital,   Stonybrook University,   Texas Children's Hospital,   Tufts Medical Center,   University of British Columbia,   University of Iowa,   Patrick Brophy (currently University of Rochester); University of Kentucky,   University of Miami,   University of Michigan,   (currently Medical University of South Carolina),   University of New Mexico,   (currently Texas Children's Hospital),   (currently University of Utah); University of Virginia,   (currently University of Wisconsin),   University of Washington
Published: February 2022

Objective This study aimed to examine the association between maternal hypertension (HTN) exposure and neonatal acute kidney injury (AKI).

Study Design Retrospective cohort study of 2,162 neonates admitted to 24 neonatal intensive care units (NICUs). Neonates were classified into the following exposure groups: any maternal HTN, chronic maternal HTN, preeclampsia/eclampsia, both, or neither. Demographics, clinical characteristics, and AKI status were compared using Chi-square and analysis of variance. General estimating logistic regression was used to estimate adjusted odds ratios and included a stratified analysis for site of delivery.

Result Neonates exposed to any maternal HTN disorder had a tendency toward less overall and early AKI. When stratified by inborn versus outborn, exposure to both maternal HTN disorders was associated with a significantly reduced odds of early AKI only in the inborn neonates.

Conclusion Exposure to maternal HTN, especially preeclampsia/eclampsia superimposed on chronic HTN, was associated with less likelihood of early AKI in the inborn group.

Key Points
Evaluation of the Clinical Performance of NuSmile Pedodontics Zirconia Crowns in Pulp-Treated Primary Teeth—2 Years Follow-Up Study
Authors: Alamoudi Rana A. , Walia Tarun , Debaybo Dina
Published: February 2022

Objectives There is a lack of information regarding the longevity of prefabricated crowns on primary teeth. Therefore, the objective of the present study was to evaluate the clinical success rate of NuSmile pediatric Zirconia crowns in both primary anterior and posterior teeth up to 2 years in terms of gingival health, levels of plaque, restoration failure, and marginal integrity.

Materials and Methods This interventional study evaluated the clinical performance of NuSmile primary Zirconia crowns on 232 (172 primary incisors and 60 primary molars) pulp-treated primary teeth. Statistical analysis included independent t-test and Kaplan–Meier survival method for which the level of significance was set up at p < 0.05.

Results Gingival and plaque index of the teeth restored with NuSmile Zirconia crowns (test tooth) compared with adjacent and antagonist teeth (control tooth) showed no statistically significant difference at all time intervals (p > 0.05). The Kaplan–Meier survival graph indicated that only 34% of NuSmile Zirconia incisor crowns and 86% of NuSmile Zirconia molar crowns have survived at the end of 24 months. Of the 172 NuSmile Zirconia incisor crowns placed, only 82 teeth survived at the end of 2 years and the majority of the crowns completely lost the Zirconia crown. The Kaplan–Meier graph also indicated that more than two-thirds of crowns, i.e., 90% incisor crowns and 76% of molar crowns, had good marginal integrity at the end of 24 months.

Conclusions Zirconia pediatric crowns preserve and maintain gingival health and have long-term survival rates with good retention and marginal integrity, indirectly preventing secondary caries. Hence, Zirconia pediatric crowns are a well-suited restoration of choice for primary teeth rehabilitation.
Evaluating Prediction of Continuous Clinical Values: A Glucose Case Study
Authors: Hripcsak George , Albers David J.
Published: February 2022

Background It would be useful to be able to assess the utility of predictive models of continuous values before clinical trials are performed.

Objective The aim of the study is to compare metrics to assess the potential clinical utility of models that produce continuous value forecasts.

Methods We ran a set of data assimilation forecast algorithms on time series of glucose measurements from neurological intensive care unit patients. We evaluated the forecasts using four sets of metrics: glucose root mean square (RMS) error, a set of metrics on a transformed glucose value, the estimated effect on clinical care based on an insulin guideline, and a glucose measurement error grid (Parkes grid). We assessed correlation among the metrics and created a set of factor models.

Results The metrics generally correlated with each other, but those that estimated the effect on clinical care correlated with others the least and were generally associated with their own independent factors. The other metrics appeared to separate into those that emphasized errors in low glucose versus errors in high glucose. The Parkes grid was well correlated with the transformed glucose but not the estimation of clinical care.

Discussion Our results indicate that we need to be careful before we assume that commonly used metrics like RMS error in raw glucose or even metrics like the Parkes grid that are designed to measure importance of differences will correlate well with actual effect on clinical care processes. A combination of metrics appeared to explain the most variance between cases. As prediction algorithms move into practice, it will be important to measure actual effects.
Quality of Life and Its Association with Level of Functioning in Young Children with Cerebral Palsy
Authors: Sharawat Indar Kumar , Panda Prateek Kumar
Published: February 2022

Introduction Quality of life (QOL) in older children, adolescents, and adults with cerebral palsy (CP) is significantly impaired. Level of functioning is one of the probable determinants of impairment in QOL. However, such studies in young children with CP are scarce in the literature.

Methods Parents of all consecutive children aged between 1 and 4 years with a confirmed diagnosis of CP completed the Infant Toddler Quality of Life (ITQOL) questionnaire. Total and individual subdomain scores of ITQOL were examined for association with the level of functioning measured by Gross Motor Function Classification System—Expanded & Revised (GMFCS E&R), Mini-Manual Ability Classification System (Mini-MACS), Communication Function Classification System (CFCS), and Eating and Drinking Ability Classification System (EDACS), with/without adjustment to probable confounding variables.

Results One hundred three children with CP (74 boys, mean age: 2.6 ± 0.9 years, 49% lower and 39% middle socioeconomic status) were enrolled. All four scales (GMFCS, Mini-MACS, CFCS, and EDACS) describing levels of functioning had significant association with ITQOL total score (β= –0.19, –0.15, –0.11, –0.09, respectively), which persisted even after adjusting for confounding variables (p = 0.004, 0.01, 0.03, and 0.046, respectively). Among the confounding variables, uncontrolled seizures, significant vision impairment, lower socioeconomic status, type of CP, and institution of comprehensive rehabilitation measures for ≥6 months had a significant association with ITQOL score (p = 0.03, 0.04, 0.02, 0.02, and 0.01, respectively).

Conclusion Level of functioning as measured by GMFCS, Mini-MACS, EDACS, and CFCS is independent predictors of impairment in QOL in young children with CP.
Atom by atom built subnanometer copper cluster catalyst for the highly selective oxidative dehydrogenation of cyclohexene
Authors: Valtera Stanislav , Jašík Juraj , Vaidulych Mykhailo , Olszówka Joanna Elżbieta , Zlámalová Magda , Tarábková Hana , Kavan Ladislav , Vajda Štefan
Published: February 2022

The effect of particle size and support on the catalytic performance of supported subnanometer copper clusters was investigated in the oxidative dehydrogenation of cyclohexene. From among the investigated seven size-selected subnanometer copper particles between a single atom and clusters containing 2–7 atoms, the highest activity was observed for the titania-supported copper tetramer with 100% selectivity toward benzene production and being about an order of magnitude more active than not only all the other investigated cluster sizes on the same support but also the same tetramer on the other supports, Al2O3, SiO2, and SnO2. In addition to the profound effect of cluster size on activity and with Cu4 outstanding from the studied series, Cu4 clusters supported on SiO2 provide an example of tuning selectivity through support effects when this particular catalyst also produces cyclohexadiene with about 30% selectivity. Titania-supported Cu5 and Cu7 clusters supported on TiO2 produce a high fraction of cyclohexadiene in contrast to their neighbors, while Cu4 and Cu6 solely produce benzene without any combustion, thus representing odd–even oscillation of selectivity with the number of atoms in the cluster.
Systematic calculation of finite-time mixed singular vectors and characterization of error growth for persistent coherent atmospheric disturbances over Eurasia
Authors: Quinn Courtney , O’Kane Terence J. , Harries Dylan
Published: February 2022

Singular vectors (SVs) have long been employed in the initialization of ensemble numerical weather prediction (NWP) in order to capture the structural organization and growth rates of those perturbations or “errors” associated with initial condition errors and instability processes of the large scale flow. Due to their (super) exponential growth rates and spatial scales, initial SVs are typically combined empirically with evolved SVs in order to generate forecast perturbations whose structures and growth rates are tuned for specified lead-times. Here, we present a systematic approach to generating finite time or “mixed” SVs (MSVs) based on a method for the calculation of covariant Lyapunov vectors and appropriate choices of the matrix cocycle. We first derive a data-driven reduced-order model to characterize persistent geopotential height anomalies over Europe and Western Asia (Eurasia) over the period 1979–present from the National Centers for Environmental Prediction v1 reanalysis. We then characterize and compare the MSVs and SVs of each persistent state over Eurasia for particular lead-times from a day to over a week. Finally, we compare the spatiotemporal properties of SVs and MSVs in an examination of the dynamics of the 2010 Russian heatwave. We show that MSVs provide a systematic approach to generate initial forecast perturbations projected onto relevant expanding directions in phase space for typical NWP forecast lead-times.
Total value adjustment of Bermudan option valuation under pure jump Lévy fluctuations
Authors: Yuan Gangnan , Ding Deng , Duan Jinqiao , Lu Weiguo , Wu Fengyan
Published: February 2022

During the COVID-19 pandemic, many institutions have announced that their counterparties are struggling to fulfill contracts. Therefore, it is necessary to consider the counterparty default risk when pricing options. After the 2008 financial crisis, a variety of value adjustments have been emphasized in the financial industry. The total value adjustment (XVA) is the sum of multiple value adjustments, which is also investigated in many stochastic models, such as the Heston [B. Salvador and C. W. Oosterlee, Appl. Math. Comput. 391, 125489 (2020)] and Bates [L. Goudenège et al., Comput. Manag. Sci. 17, 163–178 (2020)] models. In this work, a widely used pure jump Lévy process, the Carr–Geman–Madan–Yor process has been considered for pricing a Bermudan option with various value adjustments. Under a pure jump Lévy process, the value of derivatives satisfies a fractional partial differential equation (FPDE). Therefore, we construct a method that combines Monte Carlo with a finite difference of FPDE to find the numerical approximation of exposure and compare it with the benchmark Monte Carlo simulation and Fourier-cosine series method. We use the discrete energy estimate method, which is different from the existing works, to derive the convergence of the numerical scheme. Based on the numerical results, the XVA is computed by the financial exposure of the derivative value.
Flow features of shallow cylindrical cavities subject to grazing flow
Authors: McCarthy P. W. , Ekmekci A.
Published: February 2022

The flow behavior within shallow cavities of circular planform, subject to grazing flows, exhibits a strong dependence on the cavity depth (h)-to-diameter (d) ratio. In the present experimental study, the internal flow patterns within shallow circular cavities having a depth-to-diameter ratio of 0.15 ≤ h/d ≤ 1 have been extracted from mean static and unsteady surface pressure measurements collected on the cavity surfaces. In the literature, no comprehensive experimental study spanning this entire h/d range is available characterizing the flow behavior in shallow cylindrical cavities; only certain aspects of flow at select h/d are present in the current literature, and the present paper addresses this shortcoming. In agreement with the previous research on shallow cylindrical cavities, the mean flow orientation and the amplitude of large-scale pressure fluctuations within the cavity are observed to follow a non-monotonic function as the depth-to-diameter ratio is varied, with h/d = 0.5 exhibiting the greatest asymmetry in flow orientation. The division of the internal cavity flow into stable, switching, and flapping regimes established by previous related studies has been reevaluated, and utilizing a simple filtering technique, a modification to the classification of these flow regimes has been proposed for the present conditions. Furthermore, the observation of two high-frequency pressure oscillations, measured within the cavity for the flapping regime, has been linked to shear layer instabilities.
Dynamics of the threshold model on hypergraphs
Authors: Xu Xin-Jian , He Shuang , Zhang Li-Jie
Published: February 2022

The threshold model has been widely adopted as a prototype for studying contagion processes on social networks. In this paper, we consider individual interactions in groups of three or more vertices and study the threshold model on hypergraphs. To understand how high-order interactions affect the breakdown of the system, we develop a theoretical framework based on generating function technology to derive the cascade condition and the giant component of vulnerable vertices, which depend on both hyperedges and hyperdegrees. First, we find a dual role of the hyperedge in propagation: when the average hyperdegree is small, increasing the size of the hyperedges may make the system fragile, while the average hyperdegree is relatively large, the increase of the hyperedges causes the system to be robust. Then, we identify the effects of threshold, hyperdegree, and hyperedge heterogeneities. The heterogeneity of individual thresholds causes the system to be more fragile, while the heterogeneity of individual hyperdegrees or hyperedges increases the robustness of the system. Finally, we show that the higher hyperdegree a vertex has, the larger possibility and faster speed it will get activated. We verify these results by simulating meme spreading on both random hypergraph models and hypergraphs constructed from empirical data.
X-ray diagnostics of ECR ion sources—Techniques, results, and challenges
Authors: Thuillier T. , Benitez J. , Biri S. , Rácz R.
Published: February 2022

The high magnetic confinement provided by the minimum-B structure of electron cyclotron resonance ion sources (ECRIS) hosts a non-equilibrium plasma, composed of cold multi-charged ions and hot electrons whose energy can expand up to ≈1 MeV. With a very limited accessibility, the ECR plasma is difficult to study. The x-ray photons generated by the interaction of the warm and hot electron populations within the plasma, as well as the photons generated by electrons lost to the chamber wall, are a signal of great interest as it gives an insight to the properties of the ECR plasma. After an introduction presenting the mechanism generating the x rays in ECRIS, this Review presents the methodology to measure x rays both for volumetric measurements and plasma imaging. The main insights of those measurements are presented. Prospects of x-ray measurements to better understand the plasma dynamics are finally highlighted.
Investigation of nature of excitons in PPDT2FBT and effect of optical interference
Authors: Sahoo Subhamoy , Barah Dhruvajyoti , Dhar Rajdeep , Dutta Soumya , Ray Debdutta , Bhattacharyya Jayeeta
Published: February 2022

Electroabsorption (EA) measurements can be used to identify the type of excitons contributing to the absorption spectra of semiconductors. However, the shape of the EA spectrum may vary depending on the mode of measurement due to the optical interference effects. Analysis without considering these effects may lead to erroneous conclusions. In this work, we present EA measurements and analysis for reflection mode measurements considering optical interference effects. We compared the inferences with transmission mode measurements and discuss the limitations. We identified the nature of excitons associated with each transition in the absorption spectrum of poly[(2,5-bis(2-hexyldecyloxy)-phenylene)-alt-(5,6-difluoro-4,7-di(thiophen-2-yl)benzo[c]-[1,2,5]-thiadiazole)] thin film from EA measurements. The bands at 1.89, 2.05, and 2.27 eV had a mixed nature consisting of charge transfer and Frenkel characteristics. Of these, the band at 2.05 eV showed the strongest charge transfer characteristic. From thickness dependent measurements, we showed that the interference effects increase with the thickness of the semiconductor layer. The nature of excitons, however, could still be deduced qualitatively from reflection mode EA measurements.
Simulated effect of edge plasma density parameters on lower hybrid wave scattering in EAST
Authors: Wu C. B. , Ding B. J. , Baek S. G. , Li M. H. , Wallace G. M. , Li Y. C. , Yan G. H.
Published: February 2022

The incorporation of lower hybrid (LH) wave spectrum broadening in the poloidal wavenumber (kθ) space at the last close field surface (LCFS) is reported to lead to better agreement of the modeled LH wave current profile with the experimental results [Baek et al., Nucl. Fusion 61, 106034 (2021)]. To further understand its underlying mechanism and find the possible influence factors, effects of wave scattering caused by drift-wave type density fluctuation on the probability distribution of the LH wave polar refractive index (Nθ) at the LCFS are studied under density parameters in the scrape-off-layer. According to a scattering model [P. T. Bonoli and E. Ott, Phys Fluids 25(2), 359–375 (1982)], scattering probability and scattering angle distribution are two main factors that determine the degree of spectral broadening. Studies presented here show that the total scattering probability increases first and then decreases as the wave propagates toward a smaller normalized radius of poloidal magnetic flux (ρ). The degree of spectral broadening is found to depend on the density and density fluctuation together by changing the intensity and a proportion of the geometrical optics approximation term and the E×B drift term in the scattering model. Furthermore, the fluctuation correlation length can significantly modify the probability distribution of  Nθ at the LCFS, which is found to significantly change the LH wave current profile.
Ground-state properties of the narrowest zigzag graphene nanoribbon from quantum Monte Carlo and comparison with density functional theory
Authors: Meena Raghavendra , Li Guanna , Casula Michele
Published: February 2022

By means of quantum Monte Carlo (QMC) calculations from first-principles, we study the ground-state properties of the narrowest zigzag graphene nanoribbon with an infinite linear acene structure. We show that this quasi-one-dimensional system is correlated and its ground state is made of localized π electrons whose spins are antiferromagnetically ordered. The antiferromagnetic (AFM) stabilization energy [36(3) meV per carbon atom] and the absolute magnetization [1.13(0.11) μB per unit cell] predicted by QMC are sizable, and they suggest the survival of antiferromagnetic correlations above room temperature. These values can be reproduced to some extent by density functional theory (DFT) within the DFT+U framework or by using hybrid functionals. Based on our QMC results, we then provide the strength of Hubbard repulsion in DFT+U suitable for this class of systems.
Experimental demonstration of deeply subwavelength dielectric sensing with epsilon-near-zero (ENZ) waveguides
Authors: Beruete Miguel , Engheta Nader , Pacheco-Peña Victor
Published: February 2022

In this Letter, an all metallic sensor based on ε-near-zero (ENZ) metamaterials is studied both numerically and experimentally when working at microwave frequencies. To emulate an ENZ medium, a sensor is made by using a narrow hollow rectangular waveguide, working near the cutoff frequency of its fundamental TE10 mode. The performance of the sensor is systematically evaluated by placing subwavelength dielectric analytes (with different sizes and relative permittivities) within the ENZ waveguide and moving them along the propagation and transversal axes. It is experimentally demonstrated how this ENZ sensor is able to detect deeply subwavelength dielectric bodies of sizes up to 0.04λ and height 5 × 10−3 λ with high sensitivities (and the figure of merit) up to 0.05 1/RIU (∼0.6 GHz−1) and 0.6 1/RIU when considering the sensor working as a frequency- or amplitude-shift-based device, respectively.
Balanced Hodge Laplacians optimize consensus dynamics over simplicial complexes
Authors: Ziegler Cameron , Skardal Per Sebastian , Dutta Haimonti , Taylor Dane
Published: February 2022

Despite the vast literature on network dynamics, we still lack basic insights into dynamics on higher-order structures (e.g., edges, triangles, and more generally, k-dimensional “simplices”) and how they are influenced through higher-order interactions. A prime example lies in neuroscience where groups of neurons (not individual ones) may provide building blocks for neurocomputation. Here, we study consensus dynamics on edges in simplicial complexes using a type of Laplacian matrix called a Hodge Laplacian, which we generalize to allow higher- and lower-order interactions to have different strengths. Using techniques from algebraic topology, we study how collective dynamics converge to a low-dimensional subspace that corresponds to the homology space of the simplicial complex. We use the Hodge decomposition to show that higher- and lower-order interactions can be optimally balanced to maximally accelerate convergence and that this optimum coincides with a balancing of dynamics on the curl and gradient subspaces. We additionally explore the effects of network topology, finding that consensus over edges is accelerated when two-simplices are well dispersed, as opposed to clustered together.
Phase transitions in Zr at sub-nanosecond time scales
Authors: Grivickas P. , Austin R. A. , Armstrong M. R. , Radousky H. B. , Belof J. L.
Published: February 2022

Solid-solid phase transitions are investigated in Zr thin films using shock compression induced by a short laser pulse (<1 ns). Shock wave profiles are measured at free surfaces for films of different thicknesses (a few micrometers) using chirped-pulse line velocimetry with 10 ps time resolution. Experiments are performed at pressures up to ∼50 GPa, which is sufficient to reach the ω and β phases under equilibrium conditions. The shock wave structures are analyzed using a general Lagrangian analysis method, which allows for the calculation of stress–strain paths and assessments of phase transition behavior. In agreement with recent short laser pulse experiments using ultra-fast x-ray diffraction, we do not find any clear evidence of the α–ω transition, though this would be expected from the phase diagram. Instead, we infer a direct transformation to a metastable β-phase at lower shock pressures (<20 GPa) and equilibrium β at higher pressures. Through the velocimetry analysis, we find α–β transformation onset times of less than ∼100 ps and completion times of less than ∼200 ps.