bluuebunny/crossref_metadata_2025 huggingface dataset:
A new photochromic Gd-MOF with photoswitchable bluish-white to greenish-yellow emission based on electron transfer
Authors: Li Pei-Xin , Xie Zhi-Xin , Jin Ai-Ping , Li Jing , Guo Guo-Cong
Published: October 2020

A new Gd-MOF exhibits interesting properties of photoswitchable bluish white light to greenish yellow light emission as a result of electron transfer (ET). Photoluminescence studies on the dual-emitter Gd-MOF, which paves the way for white emission though ET.
Site-specific chemical fatty-acylation for gain-of-function analysis of protein S-palmitoylation in live cells
Authors: Li Yumeng , Wang Shushu , Chen Yanchi , Li Manjia , Dong Xiaoshu , Hang Howard C. , Peng Tao
Published: October 2020

Chemically installed fatty-acylation recapitulates the function of S-palmitoylation in regulating protein membrane affinity and signaling in live cells.
A new dipeptide as a selective gelator of Cu(ii), Zn(ii), and Pb(ii)
Authors: Kumar Santosh , Nandi Sujay Kumar , Suman Saurav , Haldar Debasish
Published: October 2020

Metallogelation was observed selectively for CuSO4, ZnSO4 and Pb(OAc)2 and a dipeptide containing N-phenylglycine and l-Phe, whereas other metals and analogue dipeptides failed to form gel.
Realization of red plasmon shifts by the selective etching of Ag nanorods
Authors: Zhu Xingzhong , Xu Juan , Yun Qinru , Wang Changshun , Ruan Qifeng , Kan Caixia
Published: October 2020

The red plasmon shifts is realized through selective deposition of Au atoms and etching of Ag atoms on the Ag nanorods.
Masking specific effects of ionic liquid constituents at the solid–liquid interface by surface functionalization
Authors: Katana Bojana , Takács Dóra , Bobbink Felix D. , Dyson Paul J. , Alsharif Nizar B. , Tomšič Matija , Szilagyi Istvan
Published: October 2020

Ion specific effects of ionic liquid constituents on the colloidal stability of two types of particles (positively charged amidine and polyimidazolium-functionalized sulfate latexes) were investigated in solutions containing different anions and 1-butyl-3-methylimidazolium cation.
Surface mobility and impact of precursor dosing during atomic layer deposition of platinum:in situmonitoring of nucleation and island growth
Authors: Dendooven Jolien , Van Daele Michiel , Solano Eduardo , Ramachandran Ranjith K. , Minjauw Matthias M. , Resta Andrea , Vlad Alina , Garreau Yves , Coati Alessandro , Portale Giuseppe , Detavernier Christophe
Published: October 2020

The nucleation rate and diffusion-driven growth of Pt nanoparticles are revealed within situX-ray fluorescence and scattering measurements during ALD: the particle morphology at a certain Pt loading is similar for high and low precursor exposures.
Adsorption properties of acrolein, propanal, 2-propenol, and 1-propanol on Ag(111)
Authors: Muir Mark , Molina David L. , Islam Arephin , Abdel-Rahman Mohammed K. , Trenary Michael
Published: October 2020

The properties of acrolein and its hydrogenation products, 2-propenol, propanal, and 1-propanol adsorbed on Ag(111) at 85 K were determined.
Glassy GaS: transparent and unusually rigid thin films for visible to mid-IR memory applications
Authors: Tverjanovich Andrey , Khomenko Maxim , Bereznev Sergei , Fontanari Daniele , Sokolov Anton , Usuki Takeshi , Ohara Koji , Le Coq David , Masselin Pascal , Bychkov Eugene
Published: October 2020

An unusually rigid glassy GaS film obtained by PLD shows an excellent light-induced damage threshold promising for memory applications.
Industrial carbon dioxide capture and utilization: state of the art and future challenges
Authors: Gao Wanlin , Liang Shuyu , Wang Rujie , Jiang Qian , Zhang Yu , Zheng Qianwen , Xie Bingqiao , Toe Cui Ying , Zhu Xuancan , Wang Junya , Huang Liang , Gao Yanshan , Wang Zheng , Jo Changbum , Wang Qiang , Wang Lidong , Liu Yuefeng , Louis Benoit , Scott Jason , Roger Anne-Cecile , Amal Rose , He Hong , Park Sang-Eon
Published: October 2020

This review covers the sustainable development of advanced improvements in CO2capture and utilization.
Asymmetric synthesis with ynamides: unique reaction control, chemical diversity and applications
Authors: Lynch Ciarán C. , Sripada Archita , Wolf Christian
Published: October 2020

The diversity, utility and mechanistic aspects of asymmetric synthesis with ynamides developed during the last decade is discussed.
Precursor-templated synthesis of thermodynamically unfavored platinum nanoplates for the oxygen reduction reaction
Authors: Nakamoto Tatsuichiro , Motomiya Ken-ichi , Yokoyama Shun , Takahashi Hideyuki
Published: October 2020

A precipitated precursor itself templated to synthesize thermodynamically unfavored Pt nanoplates.
Electrically active and hydrogen passivated Zn in GaAs/AlGaAs specifically distinguished during secondary ion mass spectrometry depth profiling
Authors: Wójcik Adrianna , Kolkowski Walery , Pasternak Iwona , Strupiński Włodzimierz , Kozdra Sylwia , Michałowski Paweł Piotr
Published: October 2020

A novel method of measuring active and hydrogen-passivated (inactive) impurity depth profiles using Secondary Ion Mass Spectrometry.
Imidacloprid exposure suppresses cytokine production and neutrophil infiltration in TLR2-dependent activation of RBL-2H3 cells and skin inflammation of BALB/c mice
Authors: Shi Linbo , Xu Huaping , Min Fangfang , Li Xin , Shi Xiaoyun , Gao Jinyan , Chen Hongbing
Published: October 2020

Imidacloprid suppressed TNF-α and IL-6 production and neutrophil infiltration, without altering mast cell degranulation.
Click inspired synthesis of p-tert-butyl calix[4]arene tethered benzotriazolyl dendrimers and their evaluation as anti-bacterial and anti-biofilm agents
Authors: Agrahari Anand K. , Singh Ashish K. , Singh Anoop S. , Singh Mala , Maji Pathik , Yadav Shivangi , Rajkhowa Sanchayita , Prakash Pradyot , Tiwari Vinod K.
Published: October 2020

CuAAC inspired calix-[4]arene tethered benzotriazolyl dendrimers were developed and investigated for their therapeutic potential, where 7 displayed potent anti-bacterial and anti-biofilm activities against drug-resistant & slime producing organisms.
A conjugated porphyrin as a red-light sensitizer for near-infrared emission of ytterbium(iii) ion
Authors: Balasooriya Dinesh , Liu Beibei , He Hongshan , Sykes Andew , May P. Stanley
Published: October 2020

A conjugated porphyrin with broader absorption in the visible region was synthesized for sensitizing the near-infrared emission of ytterbium(iii) ions.
Synthetic strategies for the ibophyllidine alkaloids
Authors: Reuß Franziska , Heretsch Philipp
Published: October 2020

Synthetic strategies for the ibophyllidines, indole alkaloids with a characteristic pyrroloindoline substructure, are discussed and compared with their proposed biosynthesis.
Atomic mechanisms of gold nanoparticle growth in ionic liquids studied by in situ scanning transmission electron microscopy
Authors: Keller Debora , Henninen Trond R. , Erni Rolf
Published: October 2020

This work reveals direct, experimental insights into dynamic, atomic mechanisms of gold nanoparticle growth in liquid phase by electron microscopy.
Nanoconfinement effects on structural anomalies in imidazolium ionic liquids
Authors: Ivanov Mikhail Yu. , Poryvaev Artem S. , Polyukhov Daniil M. , Prikhod'ko Sergey A. , Adonin Nicolay Yu. , Fedin Matvey V.
Published: October 2020

Imidazolium ILs confined in MOFs exhibit anomalous nanostructuring with prospects in the design of new smart nanomaterials.
Mechanically tightening, untying and retying a protein trefoil knot by single-molecule force spectroscopy
Authors: Wang Han , Li Hongbin
Published: October 2020

Optical tweezers are used to stretch a knotted protein along different directions to probe its unfolding–folding behaviors, and the conformational change of its knot structure.
Binding site exchange kinetics revealed through efficient spin–spin dephasing of hyperpolarized129Xe
Authors: Kunth Martin , Schröder Leif
Published: October 2020

Localized detection of hyperpolarized, exchanging Xe spins enables quantitative insights at unprecedented sensitivity for characterizing chemical exchange kinetics in various contexts such as host–guest interactions and displacement assays.
Transporter tandems: precise tools for normalizing active transporter in the plasma membrane
Authors: Tschirka Julia , Bach Markus , Kisis Ilmars , Lemmen Julia , Gnoth Mark Jean , Gründemann Dirk
Published: October 2020

The transport efficiency (TE) describes the performance of a transport protein for a specific substrate. To compare the TE of different transporters, the number of active transporters in the plasma membrane must be monitored, as it may vary for each transporter and experiment. Available methods, like LC–MS quantification of tryptic peptides, fail to discriminate inactive intracellular transporters or, like cell-surface biotinylation followed by affinity chromatography and Western blotting, are imprecise and very laborious. We wanted to normalize active transporters by the activity of a second transporter. A transporter tandem, generated by joining two transporter cDNAs into a single open reading frame, should guarantee a 1 : 1 stoichiometry. Here we created a series of tandems with different linkers between the human ergothioneine (ET) transporter ETT (gene symbol SLC22A4) and organic cation transporter OCT2 (SLC22A2). The linker sequence strongly affected the expression strength. The stoichiometry was validated by absolute peptide quantification and untargeted peptide analysis. Compared with wild-type ETT, the normalized ET clearance of the natural variant L503F was higher (f = 1.34); G462E was completely inactive. The general usefulness of the tandem strategy was demonstrated by linking several transporters with ETT; every construct was active in both parts. Transporter tandems can be used - without membrane isolation or protein quantification — as precise tools for transporter number normalization, to identify, for example, relevant transporters for a drug. It is necessary, however, to find suitable linkers, to check the order of transporters, and to verify the absence of functional interference by saturation kinetics.
„Wird erst einmal der Macer gedruckt sein…“
Authors: Niedenthal Tobias
Published: October 2020

Der „Macer floridus“ (alternativ „De viribus herbarum“) gehört zweifellos zu den wichtigsten Werken der europäischen Pflanzenheilkunde. Das lateinische Lehrgedicht aus dem 11. Jahrhundert, das in 77 Kapiteln die wichtigsten Arzneipflanzen der Zeit behandelt, ist der Allgemeinheit heute eher unbekannt, was nicht zuletzt daran liegen mag, dass es bereits relativ kurz nach seiner Entstehung in nahezu alle wichtigen europäischen Volkssprachen übertragen und noch im Mittelalter vielfach ungenannt in Kräuterbuch-Kompilationen eingearbeitet wurde. Während die Bedeutung des Werkes in seiner Gänze in der Neuzeit zunehmend verblasste, wurden zahlreiche Anwendungen noch über Jahrhunderte tradiert.
Was wissen Sie über…die Leber?
Authors: Schmid Eva C.
Published: October 2020

In dieser Ausgabe beschäftigen sich alle Wissensquiz-Fragen mit dem Thema Leber.
Prüfungsthema: Leber
Authors: Schmid Eva C.
Published: October 2020

In diesem HPA-Prüfungstrainer beschäftigen sich alle Fragen mit der Leber.
Ein Auge auf die Nachbarschaft
Authors: Lohmann Maria
Published: October 2020

Häufig sind Alkoholgenuss und Überernährung an Leber-Galle-Erkrankungen beteiligt, zunehmend jedoch auch Dysbiosen, Medikamente, Schadstoffe und Diabetes mellitus. Neben der gängigen Leberdiagnostik liefert auch die Irisdiagnose wertvolle Hinweise, wobei gilt: Die Therapie sollte möglichst beginnen, bevor die Laborwerte auffällig werden. Diätetik, Mariendistel, Artischocke, Probiotika, Selen und Zink zählen zum erfolgreichen Repertoire der naturheilkundlichen Leber-Galle-Therapie.
Radikalfänger vor der Haustür
Authors: Stumpf Ursula
Published: October 2020

Der gewöhnliche Odermennig gilt traditionell als Leber- und Gallemittel. In Studien kann er sich als Antioxidans sogar mit Grüntee messen.
Grün, sauer, bitter: Ernährungstherapie für die Leber
Authors: März Henrike
Published: October 2020

Die Leber ist an zahlreichen Prozessen wie dem Kohlenhydrat-, Eiweiß- und Fettstoffwechsel, aber auch an der Entgiftung und Mikronährstoffspeicherung wesentlich beteiligt. Präventiv kann man das Organ durch die Ernährung unterstützen, beispielsweise mit Bitterstoffen, Alkoholverzicht, Früchten mit natürlicher Säure und grüner Pflanzenkost. Bei Erkrankungen der Leber wie der nichtalkoholischen Fettleber sollte die Ernährung an die bestehende Leberfunktionseinschränkung angepasst werden.
Botschafter des Ostens
Authors: Bögel-Witt Martina
Published: October 2020

Die Leber hat in der TCM die Aufgabe, das Qi zu bewegen und zu verteilen sowie das Blut zu speichern. Sie korrespondiert mit anderen Zang-Organen und ist an einer Vielzahl von Erkrankungen beteiligt. Insbesondere Stimmungsschwankungen, Störungen der Augen und des Schlafes sowie Kopfschmerzen zeigen häufig einen Zusammenhang mit Leberstörungen wie Aufsteigendes Leber- Yang, Leber-Qi-Stagnation oder Loderndes Leber-Feuer. Im Fallbeispiel kann eine fortschreitende Makuladegeneration durch ein sehr spezifisches Akupunktur- und Tuinakonzept stabilisiert werden.
Der Große Wiesenknopf
Authors: Bunse Marek , Stintzing Florian C. , Kammerer Dietmar R.
Published: October 2020

Der Große Wiesenknopf (Sanguisorba officinalis L.) – eine Pflanze aus der Familie der Rosaceae – findet seit über 2000 Jahren vorwiegend im chinesischen Raum Anwendung bei der Behandlung von Verbrennungen, Blutungen und schlecht heilenden Wunden. Hydroalkoholische Auszüge der Wurzeln werden heute insbesondere in der Komplementärmedizin angewendet. Aber auch die Kosmetikindustrie zeigt steigendes Interesse an den Inhaltsstoffen dieser Pflanze. Beispielsweise finden Sanguisorba-Zubereitungen aufgrund ihrer UV-protektiven Wirkung, ihrer Dermatitis-lindernden Eigenschaften und der vielversprechenden Anti-Aging-Effekte Anwendung in verschiedenen Creme-Formulierungen. Die Inhaltsstoffe, besonders der Wurzel von S. officinalis, und deren Pharmakologie werden seit dem letzten Jahrzehnt intensiv erforscht. Neue phytochemische Untersuchungen der Blüten zeigen, dass neben Wurzeln und Kraut auch diese Pflanzenteile Triterpene, Phenole, fette Öle, aber auch Amine enthalten. Um die Gesamtheit der Inhaltsstoffe von S. officinalis und die damit verbundenen möglichen pharmazeutischen Anwendungen angemessen bewerten zu können, bietet dieser Beitrag einen Überblick über den wissenschaftlichen Kenntnisstand zur Pharmakognosie von S. officinalis.
Metabolic Syndrome Pathophysiology and Predisposing Factors
Authors: Bovolini António , Garcia Juliana , Andrade Maria Amparo , Duarte José Alberto
Published: October 2020

Metabolic syndrome (MetS) is a cluster of cardiometabolic risk factors with high prevalence among adult populations and elevated costs for public health systems worldwide. Despite the lack of consensus regarding the syndrome definition and diagnosis criteria, it is characterized by the coexistence of risk factors such as abdominal obesity, atherogenic dyslipidemia, elevated blood pressure, a prothrombotic and pro-inflammatory state, insulin resistance (IR), and higher glucose levels, factors indubitably linked to an increased risk of developing chronic conditions, such as type 2 diabetes (T2D) and cardiovascular disease (CVD). The syndrome has a complex and multifaceted origin not fully understood; however, it has been strongly suggested that sedentarism and unbalanced dietary patterns might play a fundamental role in its development. The purpose of this review is to provide an overview from the syndrome epidemiology, costs, and main etiological traits from its relationship with unhealthy diet patterns and sedentary lifestyles.
Under-appreciated and Overlooked Modes of Exercises on Key Vascular
Functions
Authors: Tanaka Hirofumi
Published: October 2020

The arterial system has two primary functions. The conduit function is to
transport adequate supply of oxygen and nutrients to the tissues, and the
cushioning function is to buffer and cushion the pulsatile pressure exerted
by intermittent ventricular contractions. The impairments in these two
functions often result from physiological changes characterized by
endothelial dysfunction and arterial stiffening. Habitual physical exercise
has been advocated to combat these physiological dysfunctions. However,
exercise is remarkably diverse, as it can be performed in different media
(water, land or snow), seasons (winter or summer), and settings (individual,
pair or team). In contrast to mainstream modes of exercise including walking
and running, many of the alternative or “minor” forms of
exercise have been under-researched by investigators in research fields and
overlooked by clinicians and practitioners in clinical settings. It remains
largely unknown whether these alternative forms of exercise are associated
with favorable changes in arterial stiffness and endothelium-dependent
vasodilation. The current review introduces and summarizes research
investigations that evaluated the impacts of these under-appreciated and
overlooked exercises and their impacts on key markers of vascular functions
in humans.
More than a Metric: How Training Load is Used in Elite Sport for Athlete Management
Authors: West Stephen W. , Clubb Jo , Torres-Ronda Lorena , Howells Daniel , Leng Edward , Vescovi Jason D. , Carmody Sean , Posthumus Michael , Dalen-Lorentsen Torstein , Windt Johann
Published: October 2020

Training load monitoring is a core aspect of modern-day sport science practice. Collecting, cleaning, analysing, interpreting, and disseminating load data is usually undertaken with a view to improve player performance and/or manage injury risk. To target these outcomes, practitioners attempt to optimise load at different stages throughout the training process, like adjusting individual sessions, planning day-to-day, periodising the season, and managing athletes with a long-term view. With greater investment in training load monitoring comes greater expectations, as stakeholders count on practitioners to transform data into informed, meaningful decisions. In this editorial we highlight how training load monitoring has many potential applications and cannot be simply reduced to one metric and/or calculation. With experience across a variety of sporting backgrounds, this editorial details the challenges and contextual factors that must be considered when interpreting such data. It further demonstrates the need for those working with athletes to develop strong communication channels with all stakeholders in the decision-making process. Importantly, this editorial highlights the complexity associated with using training load for managing injury risk and explores the potential for framing training load with a performance and training progression mindset.
Instructing Ultrasound-guided Examination Techniques Using a Social
Media Smartphone App
Authors: Rigamonti Lia , Kahle Patrick , Peters Harm , Wolfarth Bernd , Thouet Thomas , Bonaventura Klaus , Back David Alexander
Published: October 2020

Social media applications on smartphones allow for new avenues of instruction
in sports medicine and exercise sciences. This study tested the feasibility
of instructing health care personnel through videos of ultrasound vascular
measurements distributed by a social media messenger application. After two
training sessions with an ultrasound device, voluntary physicians
(n=10) and nurses (n=10) received a video for the
performance of an ultrasound-guided determination of intima-media-thickness
and diameter of the femoral arteries via a social media messenger
application. All participants examined the same healthy human subject. There
was no significant difference between the groups regarding overall time of
performance, measurements of the femoral arteries, or a specifically
designed “assessment of mobile imparted arterial ultrasound
determination” score. The physicians group achieved significantly
higher scores in the established “objective structured assessment of
ultrasound skills” score (p=0.019). Approval of the setting
was high in both groups. Transmission of videos via social media
applications can be used for instructions on the performance of
ultrasound-guided vascular examinations in sports medicine, even if
investigators’ performances differ depending on their grade of
ultrasound experience. In the future, the chosen approach should be tested
in practical scientific examination settings.
Neuromuscular and Mobility Responses to a Vibration Session in Hypoxia in Multiple Sclerosis
Authors: Andreu-Caravaca Luis , Chung Linda H. , Ramos-Campo Domingo Jesús , Marín-Cascales Elena , Encarnación-Martínez Alberto , Rubio-Arias Jacobo Á
Published: October 2020

The aim of this study was to investigate the acute effects of vibration training (WBVT) under hypoxic and normoxic conditions on the voluntary rate of force development (RFD), balance and muscle oxygen saturation (SMO2) in persons with Multiple Sclerosis (MS). 10 participants completed the study (30% males, 44.4±7.7 years, 164.3±8.9 cm, 65.2±11.1 kg, 2.5±1.3 Expanded Disability Status Scale, 24.1±4.0 kg.m−2 BMI). Maximal force, RFD during isometric knee extension, static balance with eyes open and closed and sit-to-stand test were evaluated before and immediately after one session of WBVT (12 60-s bout of vibration; frequency 35 Hz; amplitude 4 mm; 1-min rest intervals) under both normoxic and hypoxic conditions. In addition, SMO2 of the gastrocnemius lateralis was assessed during each condition. No changes were found in force, static balance and sit-to-stand test. Time-to-peak RFD increased in the left leg (p=0.02) and tended to increase in the right leg (p=0.06) after the hypoxic session. SMO2 resulted in significant increases from the initial to final intervals of the WBVT under both hypoxic and normoxic conditions (p<0.05). Increases in SMO2 during WBVT demonstrates muscle work that may contribute to the observed muscle adaptations in long-term WBVT programs without inducing decreases in neuromuscular activation, physical function and balance within a session.
Cyclic cis-1,3-Diamines Derived from Bicyclic Hydrazines: Synthesis and Applications
Authors: Benedetti Erica , Micouin Laurent , Fleurisson Claire
Published: October 2020

Cyclic cis-1,3-diamines are versatile building blocks frequently found in natural molecules or biologically active compounds. In comparison with widely studied 1,2-diamines, and despite their chemical similarity, 1,3-diamines have been investigated less intensively probably because of a lack of general synthetic procedures giving access to these compounds with good levels of chemo-, regio-, and stereocontrol. In this Account we will give a general overview of the biological interest of cyclic cis-1,3-diamines. We will then describe the synthesis and potential applications of these compounds with a particular focus on the work realized in our laboratory.

1 Introduction

2 Biological Relevance of the cis-1,3-Diamine Motif

3 Classical Synthetic Strategies towards cis-1,3-Diamines

4 N–N Bond Cleavage of Bicyclic Hydrazines: A Versatile Method to Access cis-1,3-Diamines

4.1 Preparation of Five-Membered Cyclic cis-1,3-Diamino Alcohols

4.2 Access to Fluorinated 1,3-cis-Diaminocyclopentanes

4.3 Synthesis of cis-1,3-Diaminocyclohexitols

4.4 Formation of Cyclic cis-3,5-Diaminopiperidines

5 Applications of Cyclic cis-1,3-Diamines

5.1 Small-Molecular RNA Binders

5.2 Fluorinated 1,3-Diamino Cyclopentanes as NMR Probes

6 Concluding Remarks
Longitudinal Analysis of Continuous Pulse Oximetry as Prognostic Factor in Neonatal Respiratory Distress
Authors: Solís-García Gonzalo , Maderuelo-Rodríguez Elena , Perez-Pérez Teresa , Torres-Soblechero Laura , Gutiérrez-Vélez Ana , Ramos-Navarro Cristina , López-Martínez Raúl , Sánchez-Luna Manuel
Published: October 2020

Objective Analysis of longitudinal data can provide neonatologists with tools that can help predict clinical deterioration and improve outcomes. The aim of this study is to analyze continuous monitoring data in newborns, using vital signs to develop predictive models for intensive care admission and time to discharge.

Study Design We conducted a retrospective cohort study, including term and preterm newborns with respiratory distress patients admitted to the neonatal ward. Clinical and epidemiological data, as well as mean heart rate and saturation, at every minute for the first 12 hours of admission were collected. Multivariate mixed, survival and joint models were developed.

Results A total of 56,377 heart rate and 56,412 oxygen saturation data were analyzed from 80 admitted patients. Of them, 73 were discharged home and 7 required transfer to the intensive care unit (ICU). Longitudinal evolution of heart rate (p < 0.01) and oxygen saturation (p = 0.01) were associated with time to discharge, as well as birth weight (p < 0.01) and type of delivery (p < 0.01). Longitudinal heart rate evolution (p < 0.01) and fraction of inspired oxygen at admission at the ward (p < 0.01) predicted neonatal ICU (NICU) admission.

Conclusion Longitudinal evolution of heart rate can help predict time to transfer to intensive care, and both heart rate and oxygen saturation can help predict time to discharge. Analysis of continuous monitoring data in patients admitted to neonatal wards provides useful tools to stratify risks and helps in taking medical decisions.

Key Points
Longitudinal Survey of COVID-19 Burden and Related Policies in U.S. Neonatal Intensive Care Units
Authors: Ahmad Kaashif A. , Darcy-Mahoney Ashley , Kelleher Amy S. , Ellsbury Dan L. , Tolia Veeral N. , Clark Reese H.
Published: October 2020

Objective This study aimed to determine the prevalence of confirmed novel coronavirus disease 2019 (COVID-19) disease or infants under investigation among a cohort of U.S. neonatal intensive care units (NICUs). Secondarily, to evaluate hospital policies regarding maternal COVID-19 screening and related to those infants born to mothers under investigation or confirmed to have COVID-19.

Study Design Serial cross-sectional surveys of MEDNAX-affiliated NICUs from March 26 to April 3, April 8 to April 19, May 4 to May 22, and July 13 to August 2, 2020. The surveys included questions regarding COVID-19 patient burden and policies regarding infant separation, feeding practices, and universal maternal screening.

Results Among 386 MEDNAX-affiliated NICUs, responses were received from 153 (42%), 160 (44%), 165 (45%), 148 (38%) across four rounds representing an active patient census of 3,465, 3,486, 3,452, and 3,442 NICU admitted patients on the day of survey completion. Confirmed COVID-19 disease in NICU admitted infants was rare, with the prevalence rising from 0.03 (1 patient) to 0.44% (15 patients) across the four survey rounds, while the prevalence of patients under investigation increased from 0.8 to 2.6%. Hospitals isolating infants from COVID-19-positive mothers fell from 46 to 20% between the second and fourth surveys, while centers permitting direct maternal breastfeeding increased 17 to 47% over the same period. Centers reporting universal severe acute respiratory syndrome-coronavirus-2 (SARS-CoV-2) screening for all expectant mothers increased from 52 to 69%.

Conclusion Among a large cohort of NICU infants, the prevalence of infants under investigation or with confirmed neonatal COVID-19 disease was low. Policies regarding universal maternal screening for SARS-CoV-2, infant isolation from positive mothers, and direct maternal breastfeeding for infants born to positive mothers are rapidly evolving. As universal maternal screening for SARS-CoV-2 becomes more common, the impact of these policies requires further investigation.

Key Points
New algebraically solvable systems of two autonomous first-order ordinary differential equations with purely quadratic right-hand sides
Authors: Calogero F. , Conte R. , Leyvraz F.
Published: October 2020

We identify many new solvable subcases of the general dynamical system characterized by two autonomous first-order ordinary differential equations with purely quadratic right-hand sides and the solvable character of these dynamical systems amounting to the possibility to obtain the solution of their initial value problem via algebraic operations. Equivalently, by considering the analytic continuation of these systems to complex time, their algebraically solvable character corresponds to the fact that their general solution either is single-valued or features only a finite number of algebraic branch points as functions of complex time (the independent variable). Thus, our results provide a major enlargement of the class of solvable systems beyond those with a single-valued general solution identified by Garnier about 60 years ago. An interesting property of several of these new dynamical systems is the elementary character of their general solution, identifiable as the roots of a polynomial with explicitly obtainable time-dependent coefficients. We also mention that, using a time-dependent change of (dependent and independent) variables involving the imaginary parameter iω, isochronous variants of each of the algebraically solvable models we identify, can be explicitly exhibited: by this we mean that these variants all feature the remarkable property that their generic solution is periodic with a period that is a fixed integer multiple of the basic period T = 2π/ω.
Controlling T
c of iridium films using the proximity effect
Authors: Hennings-Yeomans R. , Chang C. L. , Ding J. , Drobizhev A. , Fujikawa B. K. , Han S. , Karapetrov G. , Kolomensky Yu. G. , Novosad V. , O’Donnell T. , Ouellet J. L. , Pearson J. , Polakovic T. , Reggio D. , Schmidt B. , Sheff B. , Singh V. , Smith R. J. , Wang G. , Welliver B. , Yefremenko V. G. , Zhang J.
Published: October 2020

A superconducting Transition-Edge Sensor (TES) with low-Tc is essential in high resolution calorimetric detection. With the motivation of developing sensitive calorimeters for applications in cryogenic neutrinoless double beta decay searches, we have been investigating methods to reduce the Tc of an Ir film down to 20 mK. Utilizing the proximity effect between a superconductor and a normal metal, we found two room temperature fabrication recipes for making Ir-based low-Tc films. In the first approach, an Ir film sandwiched between two Au films, a Au/Ir/Au trilayer, has a tunable Tc in the range of 20–100 mK depending on the relative thicknesses. In the second approach, a paramagnetic Pt thin film is used to create the Ir/Pt bilayer with a tunable Tc in the same range. We present a detailed study of fabrication and characterization of Ir-based low-Tc films and compare the experimental results to the theoretical models. We show that Ir-based films with a predictable and reproducible critical temperature can be consistently fabricated for use in large scale detector applications.
Complex networks exhibit intermittent synchronization
Authors: Vera-Ávila V. P. , Sevilla-Escoboza J. R. , Leyva I.
Published: October 2020

The path toward the synchronization of an ensemble of dynamical units goes through a series of transitions determined by the dynamics and the structure of the connections network. In some systems on the verge of complete synchronization, intermittent synchronization, a time-dependent state where full synchronization alternates with non-synchronized periods, has been observed. This phenomenon has been recently considered to have functional relevance in neuronal ensembles and other networked biological systems close to criticality. We characterize the intermittent state as a function of the network topology to show that the different structures can encourage or inhibit the appearance of early signs of intermittency. In particular, we study the local intermittency and show how the nodes incorporate to intermittency in hierarchical order, which can provide information about the node topological role even when the structure is unknown.
Potential impacts of blockchain based equity crowdfunding on the economic feasibility of offshore wind energy investments
Authors: Stekli Joseph , Cali Umit
Published: October 2020

This paper explores the potential to reduce the levelized cost of electricity (LCOE) of offshore wind technology through the use of digitalized financial innovations made possible by Distributed Ledger Technology (DLT). Specifically, this paper proposed a novel application of DLT to crowdsource project finance for clean energy projects. An introduction to DLT technology and some of its potential applications is provided first. Next, the potential to move from a more centralized, top-down energy system to a more decentralized, two-way transactive energy system enabled by DLT is discussed. Within this new energy system framework, the idea of crowd-sourced equity funding of the capital cost of renewable energy is introduced. The impact of crowdfunded equity on the LCOE is then explored via the creation of a theoretical offshore wind installation off the coast of New Jersey. An existing offshore wind capital cost model is modified for use in the U.S., and an existing wind annual energy production model is utilized to provide inputs into a LCOE model. Finally, the potential impacts that DLT based crowdfunded equity may have on cost of debt, debt tenor, and debt-to-equity ratio are also input into the LCOE model in order to examine the range of potential impacts it may have on offshore wind LCOE.
Deep learning for UV absorption spectra with SchNarc: First steps toward transferability in chemical compound space
Authors: Westermayr J. , Marquetand P.
Published: October 2020

Machine learning (ML) has shown to advance the research field of quantum chemistry in almost any possible direction and has also recently been applied to investigate the multifaceted photochemistry of molecules. In this paper, we pursue two goals: (i) We show how ML can be used to model permanent dipole moments for excited states and transition dipole moments by adapting the charge model of Gastegger et al. [Chem. Sci. 8, 6924–6935 (2017)], which was originally proposed for the permanent dipole moment vector of the electronic ground state. (ii) We investigate the transferability of our excited-state ML models in chemical space, i.e., whether an ML model can predict the properties of molecules that it has never been trained on and whether it can learn the different excited states of two molecules simultaneously. To this aim, we employ and extend our previously reported SchNarc approach for excited-state ML. We calculate UV absorption spectra from excited-state energies and transition dipole moments as well as electrostatic potentials from latent charges inferred by the ML model of the permanent dipole moment vectors. We train our ML models on CH2NH2+ and C2H4, while predictions are carried out for these molecules and additionally for CHNH2, CH2NH, and C2H5+. The results indicate that transferability is possible for the excited states.
Magnetic-field control of near-field radiative heat transfer between graphene-based hyperbolic metamaterials
Authors: Zhang Bo , Song Jinlin , Lu Lu , Li Bowen , Zhou Kun , Cheng Qiang , Luo Zixue
Published: October 2020

Due to the optical transitions between non-equidistant quantized Landau levels in an external magnetic field, graphene can be employed to dynamically tune the near-field radiative heat transfer (NFRHT). In this paper, we investigate the magnetic-field control of NFRHT between two graphene-based hyperbolic metamaterials (GHMs). We find that the magnetic field significantly regulates the NFRHT between two GHMs via modifying the intrinsic hyperbolic modes. Specifically, the radiative heat transfer in the low-frequency range is remarkably suppressed for chemical potential of graphene of 0.05 eV accompanied by the splitting of the heat flux peak with the increase in the magnetic field intensity. We also analyze the magnetoresistance effect related to the heat flux, which reaches 78.23% when H = 7 T. Moreover, we find that the effect of the magnetic field on the hyperbolic modes of GHMs is much stronger for lower chemical potentials. We look forward to the applications of our findings in dynamical thermal management at the nanoscale.
Dynamic mode of viscoelastic capsules in steady and oscillating shear flow
Authors: Zhang Yuling , Han Yunlong , Zhang Lili , Chen Qiaoyue , Ding Mingming , Shi Tongfei
Published: October 2020

Because capsules exhibit viscoelasticity and shear resistance, the study of their dynamic motion under external flow is vital for biomedical and industrial applications. Toward this end, the present study uses the finite-element method to delve into the motion and deformation of viscoelastic capsules under steady and oscillating shear flow. In the steady shear, the effect of membrane viscosity is not obvious enough, which only slows the phase angle of capsules, which is consistent with previous work. However, the effect of membrane viscosity is more significant in the oscillatory shear, and we find that the deformation of capsules is affected by both viscosity and elasticity and exhibits two modes: For shear amplitudes γ0 < 0.06 or frequencies f > 0.3 Hz, the capsules essentially return to their original shape after being deformed. For amplitudes γ0 ≥ 0.06 or frequencies f ≤ 0.3 Hz, the capsules are strongly deformed and cannot return to their original state, which easily leads to membrane wrinkles and stress concentration. The results of this study systematically illustrate the dynamic behavior of viscoelastic capsules, which is critical to expound a capsule for use in drug transport, cell screening, and physiological processes.
Secondary structure specified polarizabilities of residues for an evaluation of circular dichroism spectra of proteins
Authors: Granados-Ramírez Carmen Giovana , Carbajal-Tinoco Mauricio D.
Published: October 2020

We present a model of circular dichroism for proteins that is based on the classical electromagnetic theory for optical activity. The two additional constituents of the model are as follows: an appropriate characterization of the secondary structure of the protein residues and the assignment of an effective polarizability to each type of classified residue. The set of effective polarizabilities is obtained by means of a Monte Carlo statistical method, which is used to analyze a series of synchrotron radiation circular dichroism spectra together with their corresponding crystallographic structures. As a result, the predicted spectra from our model are in good accord with experimental data, as well as with the results of some other theoretical approaches.
Impact of oxygen vacancy on the ferroelectric properties of lanthanum-doped hafnium oxide
Authors: Islamov Damir R. , Zalyalov Timur M. , Orlov Oleg M. , Gritsenko Vladimir A. , Krasnikov Gennady Ya.
Published: October 2020

The discovery of ferroelectric properties in hafnium oxide has brought back the interest in the ferroelectric non-volatile memory as a possible alternative for low power consumption electronic memories. As far as real hafnium oxide-based materials have defects like oxygen vacancies, their presence might affect the ferroelectric properties due to oxygen atom movements during repolarization processes. In this work, the transport experiments are combined with the modeling to study evolution of the oxygen vacancy concentration during the endurance and to determine the optimal defect density for a higher residual polarization in lanthanum-doped hafnium oxide.
Electrical control of spin polarization of transmission in pure-carbon systems of helical graphene nanoribbons
Authors: Liu Zhong-Pei , Guo Yan-Dong , Zeng Hong-Li , Li Jun-Feng , Jiang Yun-Yu , Yan Xiao-Hong
Published: October 2020

Compared with conventional magnetic ways, modulating a spin-polarized current through electrical means could greatly reduce nano-devices’ energy consumption and dimensions, which emerges as a new research area in spintronics. Inspired by the experimental progress on the synthesis of helically twisted graphene, we study the electronic transport of kekulene-like helical graphene nanoribbons through first-principles calculations. By applying a gate voltage, the system can be switched between spin-unpolarized and completely spin-polarized states, realizing an electrically controlled spin filter. Moreover, a fine modulation of the spin polarization can also be achieved, where transmission with any ratio of spin-up to spin-down electrons can be obtained, beyond the traditional spin filter. The analysis shows that it is the particular transmission spectra that play a key role, where two wide peaks with opposite spins reside partially overlapped around the Fermi level. They originate from the p orbitals of the zigzag edge part in the helical structure. Since the configuration only consists of carbon atoms, the electrical control of spin polarization is realized in a pure-carbon nano-system, showing great application potentials.
Low-temperature fabrication of carbon-electrode based, hole-conductor-free and mesoscopic perovskite solar cells with power conversion efficiency > 12% and storage-stability > 220 days
Authors: Shi Tingting , Lin Siyuan , Fang Mei , Kong Deming , Yuan Yongbo , Gao Yongli , Yang Bingchu , Han Hongwei , Zhou Conghua
Published: October 2020

A low-temperature fabrication routine is developed for hole-conductor-free and mesoscopic perovskite solar cells using a TiO2 nanoparticle-binding carbon electrode as the top electrode. Vacuum treatment is adopted to help the infiltration and formation processes of the organic–inorganic hybrid perovskite crystallites. It is observed that such treatment not only condenses the mesoporous skeleton and improves film conductance of the carbon electrode but also makes the perovskite crystallites grow in the core part of the mesoporous skeleton. As such, the extraction process of photogenerated charge carriers is accelerated due to the strengthened interfacial contact between the perovskite crystallites and the skeleton. Accordingly, the photo-to-electric power conversion efficiency of the low-temperature devices is upgraded from 7.38 (±1.40)% to 10.17 (±0.86)% (optimized at 12.29%, AM 1.5 G, 100 mW/cm2). In addition, prolonged stability is observed. Due to the condensed device structure, storage stability of 225 days has been achieved in ambient air (with relative humidity of about 40–60%), even without encapsulation. The proposed strategy is helpful in further reducing the production cost.
Impact of severe plastic deformation on the relaxation of glassy and supercooled liquid states of amorphous Pd40Ni40P20
Authors: Hassanpour Afrouz , Hilke Sven , Rösner Harald , Divinski Sergiy V. , Wilde Gerhard
Published: October 2020

The impact of severe plastic deformation by high-pressure torsion on the relaxation of the glassy and supercooled liquid states of Pd40Ni40P20 was investigated using a combination of differential scanning calorimetry, low-temperature heat capacity, and fluctuation electron microscopy. The changes in the calorimetric signals due to deformation and subsequent heat treatments were analyzed and a correlation between deformation (rejuvenation) and annealing (relaxation) was found in relation to medium-range order (MRO). Moreover, a coupling between the occurrence of an exothermic peak in the supercooled liquid state and specific changes in the MRO types were identified. These findings are comprehended in a potential energy landscape scheme offering a new approach for MRO engineering of glasses.
Unimolecular fragmentation and radiative cooling of isolated PAH ions: A quantitative study
Authors: Stockett Mark H. , Bull James N. , Buntine Jack T. , Carrascosa Eduardo , Ji MingChao , Kono Naoko , Schmidt Henning T. , Zettergren Henning
Published: October 2020

Time-resolved spontaneous and laser-induced unimolecular fragmentation of perylene cations (C20H12+) has been measured on timescales up to 2 s in a cryogenic electrostatic ion beam storage ring. We elaborate a quantitative model, which includes fragmentation in competition with radiative cooling via both vibrational and electronic (recurrent fluorescence) de-excitation. Excellent agreement with experimental results is found when sequential fragmentation of daughter ions co-stored with the parent perylene ions is included in the model. Based on the comparison of the model to experiment, we constrain the oscillator strength of the D1 → D0 emissive electronic transition in perylene (fRF = 0.055 ± 0.011), as well as the absolute absorption cross section of the D5 ← D0 excitation transition (σabs > 670 Mb). The former transition is responsible for the laser-induced and recurrent fluorescence of perylene, and the latter is the most prominent in the absorption spectrum. The vibrational cooling rate is found to be consistent with the simple harmonic cascade approximation. Quantitative experimental benchmarks of unimolecular processes in polycyclic aromatic hydrocarbon ions like perylene are important for refining astrochemical models.
Non-adiabatic quantum dynamics without potential energy surfaces based on second-quantized electrons: Application within the framework of the MCTDH method
Authors: Sasmal Sudip , Vendrell Oriol
Published: October 2020

A first principles quantum formalism to describe the non-adiabatic dynamics of electrons and nuclei based on a second quantization representation (SQR) of the electronic motion combined with the usual representation of the nuclear coordinates is introduced. This procedure circumvents the introduction of potential energy surfaces and non-adiabatic couplings, providing an alternative to the Born–Oppenheimer approximation. An important feature of the molecular Hamiltonian in the mixed first quantized representation for the nuclei and the SQR representation for the electrons is that all degrees of freedom, nuclear positions and electronic occupations, are distinguishable. This makes the approach compatible with various tensor decomposition Ansätze for the propagation of the nuclear–electronic wavefunction. Here, we describe the application of this formalism within the multi-configuration time-dependent Hartree framework and its multilayer generalization, corresponding to Tucker and hierarchical Tucker tensor decompositions of the wavefunction, respectively. The approach is applied to the calculation of the photodissociation cross section of the HeH+ molecule under extreme ultraviolet irradiation, which features non-adiabatic effects and quantum interferences between the two possible fragmentation channels, He + H+ and He+ + H. These calculations are compared with the usual description based on ab initio potential energy surfaces and non-adiabatic coupling matrix elements, which fully agree. The proof-of-principle calculations serve to illustrate the advantages and drawbacks of this formalism, which are discussed in detail, as well as possible ways to overcome them. We close with an outlook of possible application domains where the formalism might outperform the usual approach, for example, in situations that combine a strong static correlation of the electrons with non-adiabatic electronic–nuclear effects.