bluuebunny/crossref_metadata_2025 huggingface dataset:
Anchoring zinc-doped carbon dots on a paper-based chip for highly sensitive fluorescence detection of copper ions
Authors: Miao Qinglan , Qi Ji , Li Yuanyuan , Fan Xinxia , Deng Dongmei , Yan Xiaoxia , He Haibo , Luo Liqiang
Published: August 2021

A novel paper-based chip that anchored zinc-doped carbon dots was constructed for sensitive and stable fluorescent detection of Cu2+. Zn doping increased the active sites for simplifying the modification of carbon dots.
Trace analysis and identification of 33 sulfonamides and sulfonamide potentiators in eggs by ultrahigh-performance liquid chromatography coupled with quadrupole-high-field orbitrap high-resolution mass spectrometry
Authors: Cheng Suode , Wei Zhou , Zhiming Xiao , Yang Li , Xia Fan
Published: August 2021

A method was established for the simultaneous trace analysis and identification of 27 sulfonamides and 6 sulfonamide potentiators in eggs.
Hybrid micelles enhance tumour therapy by remodelling biodistribution and improving intracellular drug release
Authors: Liu Xuhan , Liu Wei , Lu Jiafa , Li Qin , Han Wei
Published: August 2021

Compared with PEG-PLLA micelles, hybrid micelles have advantages of decreased plasma protein adsorption, reduced deposition in RES-related organs, enhanced tumor accumulation and efficient intracellular drug release.
Helical mesoscopic crystals based on an achiral charge-transfer complex with controllable untwisting/breaking
Authors: Yang Canglei , Luo Lixing , Chen Jinqiu , Yang Bo , Wang Wei , Wang Hebin , Long Guankui , Liu Guangfeng , Zhang Jing , Huang Wei
Published: August 2021

The donor and acceptor molecules self-assemble into a helical morphology under the effect of polar solvent. By controlling the temperature to induce phase transition, the co-crystal undergoes predictable crystal breaking or untwisting.
Transition-metal difluorocarbene complexes
Authors: Zhou Wei , Pan Wen-Jie , Chen Jie , Zhang Min , Lin Jin-Hong , Cao Weiguo , Xiao Ji-Chang
Published: August 2021

We review the recent developments in the chemistry of transition-metal difluorocarbenes, including bonding and utility of MCF2complexes.
Isolation and reactivity of a gold(i) hydroxytrifluoroborate complex stabilized by anion-π+ interactions
Authors: Zhou Jiliang , Litle Elishua D. , Gabbaï François P.
Published: August 2021

A new ambiphilic phosphine-xanthylium ligand is described, along with its ability to stabilize a catalytically competent Au–μ(OH)–BF3 complex via anion-π+ interactions.
Selective replacement of organosilicon units in the cluster [(PhSi)4S6] with coinage metal complex fragments
Authors: Nier Simon , Ringelband Sven , Dehnen Stefanie
Published: August 2021

Clusters [(Et3PAg)3(PhSi)3S6] and [(Me3PCu)(PhSi)3S6]2+ yield from selective replacement of one {SiPh} group in [(PhSi)4S6] by coinage metal complex fragments, which affects the optical properties.
New phase transition pattern of fivefold twins transformed into lamellar structure in Ti3Al alloy
Authors: Liu Yu-tao , Gao Ting-hong , Gao Yue , Li Lian-xin , Tan Min , Xie Quan , Chen Qian , Tian Ze-an , Liang Yong-chao , Wang Bei
Published: August 2021

A new phase transition pattern of fivefold twins into a lamellar structure leading to a second phase transition was found in Ti3Al alloy.
NMR study on the cellulose dissolution mechanism in CaCl2·6H2O–LiCl molten salt hydrate
Authors: Liu Yiyang , Huang Hailong , Tang Rui , Han Ling , Yang Jing , Xu Min , Ge Min , Tang Yuanyuan , Fu Xiaobin , Liu Hongtao , Qian Yuan
Published: August 2021

A green molten salt hydrate was prepared and investigated for its role in the cellulose dissolution process through solid-state NMR techniques.
Air separation via two-step solar thermochemical cycles based on SrFeO3−δ and (Ba,La)0.15Sr0.85FeO3−δ perovskite reduction/oxidation reactions to produce N2: rate limiting mechanism(s) determination
Authors: Nguyen Nhu Pailes , Farr Tyler P. , Bush H. Evan , Ambrosini Andrea , Loutzenhiser Peter G.
Published: August 2021

Two-step solar thermochemical cycles based on reversible reactions of SrFeO3−δ and (Ba,La)0.15Sr0.85FeO3−δ perovskites were considered for air separation.
Yet another perspective on hole interactions
Authors: Tarannam Naziha , Shukla Rahul , Kozuch Sebastian
Published: August 2021

Hole interactions are known by different names depending on their key atom (e.g.halogen, chalcogen, triel or hydrogen bonds), and the geometry of the interaction (σ, π, δ). Maybe we can make some order by analysing their molecular orbitals?
On the nature of bonding in the photochemical addition of two ethylenes: C–C bond formation in the excited state?
Authors: Guerra Cristian , Ayarde-Henríquez Leandro , Duque-Noreña Mario , Cárdenas Carlos , Pérez Patricia , Chamorro Eduardo
Published: August 2021

Abrupt changes in the ELF topology can be associated with bonding events along the [2+2] cycloaddition process. Activation of carbon centers features the excited surface, whereas the C–C bond formation occurs in the ground state.
Non-plasmonic Ni nanoparticles catalyzed visible light selective hydrogenolysis of aryl ethers in lignin under mild conditions
Authors: Li Peifeng , Ouyang Yixuan , Xiao Gang , Zhao Yilin , Sarina Sarina , Baeyens Jan , Su Haijia , Zhu Huai-Yong
Published: August 2021

A visible-light-driven procedure using non-plasmonic and non-precious Ni nanoparticles was developed for the selective hydrogenolysis of lignin aryl ether bonds under mild conditions.
Ni–Al/CoOx-catalyzed hydrodeoxygenation of 5-hydroxymethylfurfural into 2,5-dimethylfuran at low temperatures without external hydrogen
Authors: Xia Zhanghui , Niu Libo , An Yadan , Bian Gang , Li Tianming , Bai Guoyi
Published: August 2021

Catalytic hydrodeoxygenation of 5-hydroxymethylfurfural into 2,5-dimethylfuran has received great interest in recent years.
Improving the ZT of SnTe using electronic structure engineering: unusual behavior of Bi dopant in the presence of Pb as a co-dopant
Authors: Shenoy U. Sandhya , Bhat D. Krishna
Published: August 2021

Extraordinary tuning of electronic structure of SnTe by Bi in the presence of Pb as a co-adjuvant dopant. Synergistic effect of resonance level, increase in the band gap, valence and conduction sub-bands convergence leads to enhanced TE performance.
A green approach for A3-coupling reactions: an experimental and theoretical study on NHC silver and gold catalysts
Authors: Costabile Chiara , Mariconda Annaluisa , Sirignano Marco , Crispini Alessandra , Scarpelli Francesca , Longo Pasquale
Published: August 2021

N-heterocyclic carbene silver and gold complexes active in A3-coupling (aldehyde–alkyne–amine) reactions in green conditions.
Conjugated microporous polymers as an ideal platform for tunable emission via π-conjugation
Authors: Zhang Yuwei , Chen Zhangfu , Sun Qikun , Shi Wei , Liu Qianyu , Wan Jieqiong , Li Zhongping
Published: August 2021

Emissive conjugated microporous polymers were tunable from green to red via the π-conjugation effects in the vertex.
Ultrathin porous amine-based solid adsorbent incorporated zeolitic imidazolate framework-8 membrane for gas separation
Authors: Qin Yu , Xu Li , Liu Liying , Deng Xiaoyu , Gao Yucheng , Ding Zhongwei
Published: August 2021

The amine-based solid adsorbent was innovatively incorporated during the fabrication of the ZIF-8 membrane for gas separation.
Correction: Graph neural network based coarse-grained mapping prediction
Authors: Li Zhiheng , Wellawatte Geemi P. , Chakraborty Maghesree , Gandhi Heta A. , Xu Chenliang , White Andrew D.
Published: August 2021

Correction for ‘Graph neural network based coarse-grained mapping prediction’ by Zhiheng Li et al., Chem. Sci., 2020, 11, 9524–9531, DOI: 10.1039/D0SC02458A.
Metal–support interactions in Fe–Cu–K admixed with SAPO-34 catalysts for highly selective transformation of CO2 and H2 into lower olefins
Authors: Ding Jie , Liu Qiang , Ye Run-ping , Gong Weibo , Zhang Fan , He Xiang , Zhang Yulong , Zhong Qin , Argyle Morris D. , Fan Maohong
Published: August 2021

Strong interactions between Fe–Cu–K and SAPO-34 in admixed catalysts composed of Fe–Cu–K and SAPO-34 result in the changes of structures, reducible properties and mass transfer between Fe-Cu-K and SAPO-34, which contribute to good activities.
Mussel-inspired self-assembly engineered implant coatings for synergistic anti-infection and osteogenesis acceleration
Authors: Han Mingyue , Dong Zhiyun , Li Jianshu , Luo Jun , Yin Derong , Sun Lizhong , Tao Siying , Zhen Li , Yang Jiaojiao , Li Jiyao
Published: August 2021

A facile and flexible strategy was presented for implant modificationviatannic acid mediated layer-by-layer self-assembly coatings of polyethylene glycol and peptides. The obtained implants exhibit synergistic anti-fouling and osteogenic performances.
One-step preparation of bioactive enzyme/inorganic materials
Authors: Malhotra Mansi , Puglia Megan K. , Baveghems Clive L. , Pattammattel Ajith , Koubeck Monica E. , Bruder Katharine , Kumar Challa V.
Published: August 2021

One-step exfoliation of α-zirconium phosphate sheets by using two methods: using a shear reactor and a magnetic stirrer, for enzymology applications.
Leakage current characteristics and ageing assessment technology of roof arrester under ultra harmonics overvoltage
Authors: Sun Jixing , Ding Fan , Lv Yunlong , Ren Jiayi , Song Sibo , Li Tiance , Zhi Qingyun , Guo Changwang
Published: August 2021

The large leakage current of the roof arrester caused by the high‐frequency resonant overvoltage on the high‐speed train occurs intermittently, which will cause the arrester to overheat locally. In this work, the overheating issue of the arrester under Ultra Harmonics Overvoltage is studied. Then, the relationship between the active power and the voltage (including amplitude and frequency) of the arrester is investigated, and the impact mechanism of the harmonic voltage on the overheating fault of the arrester is analysed based on experiments in this work. It is found that the total leakage current of the arrester is proportional to the amplitude and frequency of the applied voltage. The internal resistance of the arrester is independent of the amplitude of the voltage, but it will decrease with the increase of the frequency. The main reason that leads to thermal breakdown of the arrester valve under high‐frequency harmonic voltage is the heating power elevation of the arrester valve. The research study can provide theoretical basis and data support for the design, type selection and monitoring of the high‐speed train roof arrester.
Certification of the efficient random number generation technique based on single‐photon detector arrays and time‐to‐digital converters
Authors: Stanco Andrea , Marangon Davide G. , Vallone Giuseppe , Burri Samuel , Charbon Edoardo , Villoresi Paolo
Published: August 2021

True random number generators (TRNGs) allow the generation of true random bit sequences, guaranteeing the unpredictability and perfect balancing of the generated values. TRNGs can be realised from the sampling of quantum phenomena, for instance, the detection of single photons. Here, a recently proposed technique, which implements a quantum random number generator (QRNG) out of a device that was realised for a different scope, is further analysed and certified [1]. The combination of a CMOS single‐photon avalanche diode (SPAD) array, a high‐resolution time‐to‐digital converter (TDC) implemented on a field programmable gate array (FPGA), the exploitation of a single‐photon temporal degree of freedom, and an unbiased procedure provided by H. Zhou and J. Bruck [2, 3] allows the generation of true random bits with a high bitrate in a compact and easy‐to‐calibrate device. Indeed, the use of the ‘Zhou–Bruck’ method allows the removal of any correlation from the binary representation of decimal data. This perfectly fits with the usage of a device with non‐idealities like SPAD's afterpulses, pixel cross‐correlation, and time‐to‐digital converter non‐uniform conversion. In this work, an in‐depth analysis and certification of the technique presented in [1] is provided by processing the data with the NIST suite tests in order to prove the effectiveness and validity of this approach.
Neuere Ansätze in der Psychotherapie der chronischen Depression
Authors: Backenstraß Matthias
Published: August 2021

Die chronische Depression – anhand der DSM-5-Diagnose „Persistierende Depressive Störung“ klar definiert – ist eine häufige psychische Erkrankung und geht mit einer erheblichen Belastung einher. Neuere Therapieansätze versuchen unter Berücksichtigung relevanter Entstehungs- und Aufrechterhaltungsfaktoren das Behandlungsangebot zu verbessern. Dieser Beitrag beschreibt Grundsätze zur Diagnostik und therapeutischer Verfahren.
Depression(stherapie) – ein Feld der Integration?
Authors: Schauenburg Henning
Published: August 2021

Wer hätte gedacht, dass uns die Wirklichkeit auf eine solche Weise mit dem Thema Depression konfrontieren würde, wie es durch die Corona-Pandemie geschieht? Viele Menschen sind Belastungen ausgesetzt, haben berufliche und familiäre Sorgen, Zukunftsängste – typische Faktoren, die ein Anwachsen depressiver Erkrankungen erwarten lassen.
Stepped Care zur Verbesserung der Versorgung von Menschen mit Depression
Authors: Watzke Birgit , Heddaeus Daniela , Hesse Savion , Steinmann Maya , Härter Martin
Published: August 2021

Stepped Care (gestufte Behandlung) bietet einen passenden Rahmen, um evidenzbasierte Behandlungsempfehlungen bei Depression umzusetzen und dabei bestehende Defizite in der Versorgung zu reduzieren. Dadurch können niedrigschwellige Interventionen innerhalb eines adäquaten klinischen Rahmens durchgeführt werden. Im Beitrag werden Kernmerkmale, Evidenzlage und mögliche Weiterentwicklungen zu Stepped Care vorgestellt.
Bilder meiner Depression – wenn die Worte fehlen
Authors: Kleine Jenny Elisabeth
Published: August 2021

Depressionen sind für Außenstehende schwer zu verstehen und für Betroffene schwer zu beschreiben. Doch da, wo Worte fehlen, können manchmal Bilder sprechen. Das Projekt „Bilder meiner Depression“ visualisiert die individuellen Depressionen von zehn Frauen.
Fallbericht Borderline und chronische Depression
Authors: Merkl-Maßmann Angela , Berg Stephanie , Rufer Martin , Hähnlein Vera
Published: August 2021

Eine 39-jährige Patientin mit der Diagnose Borderline-Persönlichkeitsstörung wird wegen extremer innerer Unruhe und schwerer depressiver Symptomatik zur Krisenintervention eingewiesen.
Blood Pharming – eine realistische Option?
Authors: Kronstein-Wiedemann Romy , Thiel Jessica , Tonn Torsten
Published: August 2021

Die Bluttransfusion ist ein wesentlicher und unersetzlicher Teil der modernen Medizin. Jedoch stellt vor allem bei Patienten mit sehr seltenen Blutgruppenkonstellationen der Mangel an Blutprodukten auch heute noch ein wichtiges Gesundheitsproblem weltweit dar. Um diesem Problem entgegenzutreten, versucht man seit einiger Zeit künstlich rote Blutzellen zu generieren. Diese haben potenzielle Vorteile gegenüber Spenderblut, wie z. B. ein verringertes Risiko für die Übertragung von Infektionskrankheiten. Diese Übersicht fasst die aktuellen Entwicklungen über den Prozess der Erythropoese, die Expansionsstrategien der erythrozytären Zellen, der verschiedenen Quellen für ex vivo expandierte Erythrozyten, die Hürden für die klinische Anwendung und die zukünftigen Möglichkeiten der Anwendung zusammen.
Nachweis von Antikörpern gegen SARS-CoV-2
Authors: Jahrsdörfer Bernd , Schrezenmeier Hubert
Published: August 2021

Der folgende Beitrag gibt einen Überblick über kommerziell erhältliche Testsysteme zur Untersuchung von Probenmaterial aus Blut auf verschiedene Antikörper gegen SARS-CoV-2. Dabei wird auch auf mögliche Anwendungen solcher Testungen eingegangen, angefangen von Seroprävalenz- und Longitudinalstudien über das Screening potenzieller Rekonvaleszenzplasmaspender bis hin zum Monitoring der humoralen Immunantwort nach Impfung gegen SARS-CoV-2.
Therapeutische Apheresen
Authors: Witt Volker
Published: August 2021

Apheresen können ihre therapeutische Wirkung entfalten durch die Entfernung von pathologischen Komponenten, den Austausch von krankhaften Komponenten oder die Entnahme von kranken Komponenten, um sie außerhalb des Körpers zu behandeln. Der Beitrag stellt die verschiedenen Verfahren und Einsatzmöglichkeiten vor.
Endoscopic submucosal dissection vs. endoscopic mucosal resection for early Barrett's neoplasia in the West: a retrospective study
Authors: Mejia Perez Lady Katherine , Yang Dennis , Draganov Peter V. , Jawaid Salmaan , Chak Amitabh , Dumot John , Alaber Omar , Vargo John J. , Jang Sunguk , Mehta Neal , Fukami Norio , Chua Tiffany , Gabr Moamen , Kudaravalli Praneeth , Aihara Hiroyuki , Maluf-Filho Fauze , Ngamruengphong Saowanee , Pourmousavi Khoshknab Milad , Bhatt Amit
Published: August 2021

Background The difference in clinical outcomes after endoscopic submucosal dissection (ESD) and endoscopic mucosal resection (EMR) for early Barrett's esophagus (BE) neoplasia remains unclear. We compared the recurrence/residual tissue rates, resection outcomes, and adverse events after ESD and EMR for early BE neoplasia.

Methods We included patients who underwent EMR or ESD for BE-associated high grade dysplasia (HGD) or T1a esophageal adenocarcinoma (EAC) at eight academic hospitals. We compared demographic, procedural, and histologic characteristics, and follow-up data. A time-to-event analysis was performed to evaluate recurrence/residual disease and a Kaplan–Meier curve was used to compare the groups.

Results 243 patients (150 EMR; 93 ESD) were included. EMR had lower en bloc (43 % vs. 89 %; P < 0.001) and R0 (56 % vs. 73 %; P = 0.01) rates than ESD. There was no difference in the rates of perforation (0.7 % vs. 0; P > 0.99), early bleeding (0.7 % vs. 1 %; P > 0.99), delayed bleeding (3.3 % vs. 2.1 %; P = 0.71), and stricture (10 % vs. 16 %; P = 0.16) between EMR and ESD. Patients with non-curative resections who underwent further therapy were excluded from the recurrence analysis. Recurrent/residual disease was 31.4 % [44/140] for EMR and 3.5 % [3/85] for ESD during a median (interquartile range) follow-up of 15.5 (6.75–30) and 8 (2–18) months, respectively. Recurrence-/residual disease-free survival was significantly higher in the ESD group. More patients required additional endoscopic resection procedures to treat recurrent/residual disease after EMR (EMR 24.2 % vs. ESD 3.5 %; P < 0.001).

Conclusions ESD is safe and results in more definitive treatment of early BE neoplasia, with significantly lower recurrence/residual disease rates and less need for repeat endoscopic treatments than with EMR.
Zur Konzeptgeschichte der Myotonia congenita: Die Beiträge
von Julius Thomsen und Adolph Seeligmüller
Authors: Arendt Carolin , Zierz Stephan
Published: August 2021

Die Erkrankung Myotonia congenita wurde als Entität 1876 erstmals durch
Julius Thomsen beschrieben. Noch im gleichen Jahr wurde diese Beschreibung von
Adolph Seeligmüller kritisch betrachtet und um wesentliche Befunde
ergänzt. Bereits Charles Bell, Moritz Benedict und Ernst von Leyden
hatten vor 1876 die Symptomatik der Erkrankung beschrieben, ohne jedoch eine
neue Entität anzunehmen. Der Vergleich der Publikationen von Thomsen und
Seeligmüller von 1876 untereinander und mit Seeligmüllers
Lehrbuchkapitel von 1887 sowie mit dem heute genetisch gesicherten
Krankheitsbild zeigt, dass Seeligmüller zurecht zwei Aspekte an Thomsens
Publikation kritisierte: (i) Die von Thomsen vermutete Pathogenese in
„der einen Thätigkeitshälfte des Gehirns, des
Willens“ mit „Sitz im Cerebrospinalsysteme“ und (ii) die
Annahme einer Koordinationsstörung im Sinne einer Ataxie [1].
Demgegenüber diskutierte Seeligmüller eine „schwerer
beweglich Muskelsubstanz“ [2] als Pathogenese mit der er gleichwohl eine
angeborene Affection der Seitenstränge des Rückenmarks nicht
ausschließen wollte. Es wäre deshalb durchaus gerechtfertigt
gewesen, Seeligmüllers Anteil an der Konzeptgeschichte der Myotonia
congenita durch die Aufnahme seines Namens in das Eponym zu würdigen
[3].
An Expedient Approach to Pyrazolo[3,4-b]pyridine-3-carboxamides via Palladium-Catalyzed Aminocarbonylation
Authors: Keating John J. , Alam Ryan M.
Published: August 2021

Pyrazolo[3,4-b]pyridine is a privileged scaffold found in many small drug molecules that possess a wide range of pharmacological properties. Efforts to further develop and exploit synthetic methodologies that permit the functionalization of this heterocyclic moiety warrant investigation. To this end, a series of novel 1,3-disubstituted pyrazolo[3,4-b]pyridine-3-carboxamide derivatives have been prepared by introducing the 3-carboxamide moiety using palladium-catalyzed aminocarbonylation methodology and employing CO gas generated ex situ using a two-chamber reactor (COware®). The functional group tolerance of this optimized aminocarbonylation protocol is highlighted through the synthesis of a range of diversely substituted C-3 carbox­amide pyrazolo[3,4-b]pyridines in excellent yields of up to 99%.
Thumb Injuries and Instabilities. Part 2: Spectrum of Lesions
Authors: Blum Alain G. , van Holsbeeck Marnix T. , Bianchi Stefano
Published: August 2021

The motor function of the thumb and its alignment with regard to the hand make it particularly vulnerable to trauma. Pathology encountered in this joint is varied, and imaging techniques play a crucial role in the diagnosis and characterization of injury. Despite advances in imaging technology, acute thumb injuries remain a challenge for radiologists. Currently, standard radiography and ultrasonography are frequently used first-line imaging techniques. Computed tomography is most often indicated for complex fractures and dislocations. Magnetic resonance imaging may be used to optimally characterize soft tissues and bone marrow. In this article, we cover the most common traumatic injuries: fractures, dislocations, collateral ligament injuries of the metacarpophalangeal joint, as well as soft tissue lesions.
Safe Lines to Life Savers—A Focus on Rescuer Safety
Authors: Sharma Ashima , Narla Sreelekha , Pasupuleti Shalini
Published: August 2021

Objective To describe and discuss the new cardiopulmonary resuscitation (CPR) guidelines during the coronavirus disease 2019 (COVID-19) period.

Background The ongoing COVID-19 pandemic has affected the entire humankind despite immense efforts by the government, like mandatory personal protection, lockdown, and so forth. Numerous health care workers (HCW) lay rescuers during resuscitation are at risk of acquiring infection. This resulted in the formulation of additional guidelines during CPR, specific to COVID-19.

Method A narrative overview of new resuscitation guidelines made for protecting rescuers during COVID-19 by American Heart Association (AHA), European guidelines on resuscitation update, Research Society of Anesthesiology and Clinical Pharmacology, and Indian Resuscitation Council (IRC).

Discussion An overview of all new steps of resuscitation starting from the checking responsiveness of the patient, rescuer safety, control of aerosolization, number of team members, CPR, airway management, drugs and dosages, defibrillation, appropriateness of continuing resuscitation, and discussing the changes made in standard guidelines.
Unveiling Potential Active Constituents and Pharmacological Mechanisms of Pudilanxiaoyan Oral Liquid for Anti-Coronavirus Pneumonia Using Network Pharmacology
Authors: Tong Ying-Peng , Shen Xiao-Fei , Li Chao , Zhou Qi , Jiang Chun-Xiao , Li Na , Xie Zhen-Da , Zhu Zi-Ping , Wang Jian-Xin
Published: August 2021

The outbreak of novel coronavirus pneumonia (COVID-19), defined as a worldwide pandemic, has been a public health emergency of international concern. Pudilanxiaoyan oral liquid (PDL), an effective drug of Traditional Chinese Medicine (TCM), is considered to be an effective and alternative means for clinical prevention of COVID-19. The purpose of this study was to identify potential active constituents of PDL, and explore its underlying anti-COVID-19 mechanism using network pharmacology. Integration of target prediction (SwissTargetPrediction and STITCH database) was used to elucidate the active components of PDL. Protein–protein interaction network analyses, gene ontology, Kyoto Encyclopedia of Genes and Genomes pathway enrichment analyses, network construction, and molecular docking were applied to analyze the prospective mechanisms of the predicted target genes. Our results showed that the key active ingredients in PDL were luteolin, apigenin, esculetin, chrysin, baicalein, oroxylin A, baicalin, wogonin, cymaroside, and gallic acid. A majority of the predicted targets were mainly involved in the pathways related to viral infection, lung injury, and inflammatory responses. An in vitro study further inferred that inhibiting the activity of nuclear factor (NF)-кB signaling pathway was a key mechanism by which PDL exerted anti-COVID-19 effects. This study not only provides chemical basis and pharmacology of PDL but also the rationale for strategies to exploring future TCM for COVID-19 therapy.
Prediction Model Assessing Risk of Delivery after Diagnosis of Abnormal Umbilical Artery Doppler
Authors: Yu Hope Y. , Has Phinnara , Danilack Valery A. , Werner Erika F. , Rouse Dwight J.
Published: August 2021

Objective Umbilical artery Doppler (UAD) velocimetry abnormalities are associated with increased neonatal morbidity and mortality. Currently, there are no risk stratification methods to assist in antepartum management such as timing of antenatal corticosteroids (ACS). Therefore, we sought to develop a model to predict risk of delivery within 7 days following diagnosis of abnormal UAD velocimetry in patients with fetal growth restriction (FGR).

Study Design Retrospective single referral center study of liveborn singleton pregnancies complicated by FGR and ≥1 abnormal UAD velocimetry value (≥95th percentile for gestational age [GA]). We considered 17 variables and used backward stepwise logistic regression to create a multivariable model for the prediction of delivery within 7 days. We assessed model fit with calibration, discrimination, likelihood ratios, and area under the curve. Internal validation of the model was assessed by using the bootstrap method.

Results Between 2008 and 2015, a total of 176 patients were eligible and included for model development. Median (range) GA at initial eligibility was 32.1 weeks (28.1–36.1 weeks) and from initial eligibility until delivery was 21 days (0–104 days). Fifty-two patients (30%) were delivered in the 7 days following inclusion. GA at first abnormal UAD, severity of first abnormal UAD, oligohydramnios, preeclampsia, and pre-pregnancy BMI were included in the model. The model had an area under the ROC curve of 0.94 (95% confidence interval [CI]: 0.90–0.98), sensitivity of 85%, and specificity of 91%. If the model alone were used for ACS timing, 85% of the cohort who delivered in the following week would have received ACS, and ACS would not have been given to 91% who delivered later. Internal validation yielded similar results with a mean area under the curve (95% CI) of 0.94 (0.88–0.98).

Conclusion If validated externally, our model can be used to predict risk of delivery in patients with FGR and abnormal UAD velocimetry, potentially improving timing of ACS.

Key Points
P-type conductivity and suppression of green luminescence in Mg/N co-implanted GaN by gyrotron microwave annealing
Authors: Meyers V. , Rocco E. , Hogan K. , McEwen B. , Shevelev M. , Sklyar V. , Jones K. , Derenge M. , Shahedipour-Sandvik F.
Published: August 2021

Co-implantation of Mg with N has been shown to improve p-type conductivity in Mg-implanted GaN. Achievement of p-type material still requires temperatures beyond the thermodynamic stability of GaN, however. In this study, we present results of implantation and anneal activation of GaN, co-implanted with Mg and N or Mg only by repeated, short thermal cycles of 1350 °C using a high-power gyrotron microwave source with a quasi-gaussian intensity profile. Spatial variations in optical and electrical properties of the resulting films are characterized by photoluminescence and diode I–V and C–V measurements. Resistive Mg/N co-implanted and annealed material shows dominant luminescence of the VN-related green luminescence (GL2) band at 2.37 eV and relatively lower intensity acceptor-related ultraviolet luminescence (UVL) at 3.27 eV. However, a material showing p–n diode behavior shows higher-intensity UVL luminescence and suppression of the GL2 band, permitting observation of the yellow luminescence (YL) present in the as-grown GaN. The YL is attributed to unintentionally introduced CN–ON complexes and is commonly observed in GaN grown by metalorganic chemical vapor deposition but is typically absent in implanted/annealed GaN. Co-implanted material is compared to material implanted only with Mg and annealed under the same conditions, which shows p-type activation, but contains persistent GL2 luminescence post-anneal and lowers maximum hole concentration.
Stability of two-layer flows past slippery surfaces. I. Horizontal channels
Authors: Ramakrishnan Vignesh , Mushthaq Remil , Roy Anubhab , Vengadesan S.
Published: August 2021

We study the role of wall slip on the stability of a two-layered plane Poiseuille flow. The equations of motion for the base flow state are derived, and a linear stability analysis is carried out to arrive at the fourth-order Orr–Sommerfeld equations for the fluid layers. An asymptotic analysis is conducted for wavenumbers in the long wavelength limit. The Orr–Sommerfeld equations are solved numerically using a multidomain Chebyshev Collocation Method to arrive at the spectrum of eigenvalues and their associated eigenfunctions. The effect of wall slip on the stability characteristics of the flow system is examined in greater detail. It is observed that slip brings about a stabilizing, as well as a destabilizing effect on the flow system.
Design, simulation, and test of surface and volume radio frequency coils for 13C magnetic resonance imaging and spectroscopy
Authors: Frijia Francesca , Flori Alessandra , Giovannetti Giulio
Published: August 2021

Hyperpolarized 13C Magnetic Resonance (MR) is a promising technique for in vivo non-invasive assessment of metabolism in humans. Despite the considerable signal increase provided by hyperpolarization techniques, the low molar concentration of derivate 13C metabolites gives rise to technological limits in terms of data quality. The development of dedicated radio frequency coils, capable of providing a large field of view with high signal-to-noise ratio data, is thus a fundamental task. This work describes the design, simulation, and test of a surface and a volume coil, both designed to be integrated with a clinical scanner for hyperpolarized 13C studies in small animal models, with the purpose to provide a detailed characterization and comparison of their performance. In particular, coil inductance was evaluated with analytical calculation, while the magnetostatic theory was employed for coils magnetic field pattern estimation. Workbench tests permitted us to characterize coil performance in terms of quality factor and efficiency. Additionally, this Tutorial summarizes the acquisition experience for the reconstruction of 13C spectroscopic maps in phantom using the two designed coils and a 3 T MR clinical scanner. We believe that this Tutorial could be interesting for graduate students and researchers in the field of magnetic resonance coil design and development, especially for 13C studies.
Elucidating the effects of oxygen- and nitrogen-containing functional groups in graphene nanomaterials for applied electrochemistry by density functional theory
Authors: Gupta Sanju , Dimakis Nicholas
Published: August 2021

Graphene nanomaterials functionalized with oxygen groups [graphene oxide (GO) and reduced GO (rGO)] are either doped with element nitrogen or nitrogen-containing aromatic moieties followed by the investigation of electrochemical properties that generally show enhanced electroanalytical performance. We studied structural, morphological, and physical–chemical properties using correlative techniques. While we attribute their improved properties promoted simultaneously by topologically interconnected mesoporous network morphology, the presence of heteroatom species, and lattice vibrational structure, the complex interpretation requires the need to supplement the experimental observations with theoretical calculations for further insights. The complex interplay of pore size and redox properties revealing distinctive supercapacitive (ion-adsorption controlled) and pseudocapacitive (diffusion-controlled) energy storage mechanistic contributions arises from the combined effects of oxygen and nitrogen functional groups, most likely located on the basal plane and at the pore edge plane sites. The density functional theory calculations provided band structure and electron transfer from Mulliken and Hirshfeld population analyses helping discern the nature of various functional groups in diverse graphene. Interestingly, while quaternary (N—Q) and pyridinic-N-oxides (N—O) on the basal planes show enhanced capacitance due to positive charge and thus an improved electron transfer at higher current loads identified in nitrogen-doped aerogel (AG/nitrogenated) and GO-derived rGO by chemical and electrochemical properties, the other important functional groups affecting the energy storage are pyridinic (N-6) and pyrrolic (N-5) nitrogen groups on the edge of the rGO nanosheet in association with carboxylic (—COOH) and quinone (C=O) functional groups in nitrogenated functional graphene/graphene aerogel and rGO coated polyaniline, contributing to a pseudocapacitive character.
Broadband diffuse field sound insulation of double layer metamaterial plates lined with porous material
Authors: Wang Shuaixing , Xiao Yong , Guo Jiajia , Zhang Hao , Wen Jihong
Published: August 2021

We propose a composite acoustic metamaterial consisting of double layer metamaterial plates (DLMPs) lined with porous material (PM). Numerical results show that DLMPs lined with PM can produce a very high diffuse field sound transmission loss (STL) beyond the mass law over an ultra-wide low-frequency range. The unusual behavior is interpreted by explicit formulas. For validation, a large-scale specimen is fabricated using light surface mass density (5.72 kg/m2) and small thickness (5 cm). Measured data show that the specimen possesses an excellent diffuse field STL deeply breaking the mass law at broadband low frequencies (248–1624 Hz), and simultaneously, it has an improved diffuse field STL within a wide low-frequency band (208–850 Hz) compared with the conventional double layer homogeneous plates lined with PM. Owing to the simple construction, light weight, and thinness, the proposed composite metamaterial has promising applications in noise control engineering.
Large cross-polarization rotation of light on graphene
Authors: Liu Jian , Chen Shizhen , Luo Hailu , Shu Weixing , Wen Shuangchun
Published: August 2021

A large cross-polarization (CP) rotation of light is found on the graphene surface experimentally and applied to measuring the layer number of graphene. First, a general propagation model for the polarization of light reflected on the graphene is established. By using this model, it is found that the CP effect rotates remarkably with the incident polarization near the pseudo-Brewster angle. More importantly, such a rotation differs noticeably for graphene surfaces with distinct layers, thereby providing a simple and efficient approach to detect the graphene layer number. Finally, the CP rotation is shown to be accompanied by the rotation of the spin Hall effect of light. Further experiments are performed to validate the theoretical results.
Light-driven boats using asymmetrical convection flow
Authors: Sugioka Hideyuki , Someya Yusuke
Published: August 2021

Self-propelled microrobots have been attracting much attention. In this study, we report that a light-driven boat using asymmetrical convection flow moves toward the colder end. Specifically, we demonstrated that a floating circular structure consisting of a light-reflecting semi-circular part and a light-absorbing semi-circular part moves toward the end of the light-reflecting part under light irradiation. In addition, by visualizing the flow field under the boat, we confirmed that the boat generated a convection flow toward the cold side and was moving to ride on the flow. Our device is useful for biomedical applications and water remediation.
An optical synapse based on a polymer waveguide with a GST225 active layer
Authors: Ionin V. V. , Kiselev A. V. , Burtsev A. A. , Mikhalevsky V. A. , Eliseev N. N. , Asharchuk I. M. , Sokolov V. I. , Lotin A. A.
Published: August 2021

This paper presents the results of an experimental study, implementation, and numerical simulation of the transmissivity of a polymer waveguide covered by a GST225 thin film with various phase states. The paper considers an optical synapse prototype based on the interface between the waveguide and an optically controlled GST225 film. We demonstrate the fundamental possibility of controlling an optical signal in the telecommunication C-range as it passes through the synaptic interface via the action of an external laser on an optically active GST225 film. Experimentally, 40% single- and multi-level modulations of the optical signal intensity are achieved. The numerical simulation results are in line with the experimental data. Based on this principle, next-generation all-optical storage and computing devices that simulate the properties of biological synapses and neurons can be developed.
Thermo-mechanical properties of Cr–Co–Ni alloys from longitudinal spin fluctuation theory
Authors: Dong Zhihua , Li Wei , Jiang Bin , Li Qian , Pan Fusheng , Vitos Levente
Published: August 2021

Accounting for longitudinal spin fluctuations in the paramagnetic state, we calculate elastic constants and stacking fault energy as a function of temperature and chemical composition for Cr–Co–Ni alloys. The longitudinal spin fluctuations are demonstrated to be important for the quantitative description of the thermo-mechanical properties and the corresponding chemical and temperature dependences. Replacing Ni with Cr and Co is found to yield opposite influence on the mechanical properties at finite temperature. A high thermal stability in plasticity is predicted in the low Cr regime in Cr–Co–Ni alloys, while a good thermal stability in elasticity can be achieved in the high Cr and low Co regime. The present advance in thermo-chemical-magnetic-property enhances the understanding required for an intelligent design of multicomponent alloys toward high-technology applications.
Ionic liquid glasses: properties and applications
Authors: Ivanov M. Yu. , Surovtsev N. V. , Fedin M. V.
Published: August 2021

Ionic liquids (ILs) are considered as an alternative to conventional organic solvents used in industry, and the distinctive physical and chemical properties of these substances are being actively investigated. Ionic liquids can be applied in a number of areas, including polymerization reactions, catalysis and biomedicine. Although the overwhelming majority of studies are focused on the liquid state of ILs, an understanding of their properties in a glassy state can stimulate innovations in organic synthesis, energy storage and cryopreservation. This review aims at a systematic description of the properties and applications of ILs in the glassy state, which has not been published previously and appears relevant and demanded by the scientific community.
 The bibliography includes 286 references.
The N terminus of α-synuclein dictates fibril formation
Authors: McGlinchey Ryan P. , Ni Xiaodan , Shadish Jared A. , Jiang Jiansen , Lee Jennifer C.
Published: August 2021

Significance

α-Synuclein truncations are prevalent in Parkinson’s disease. While C-terminal truncations are known to accelerate α-synuclein aggregation, the understanding of how N-terminal truncations influence fibril formation lags behind. Here, we show that the removal of N-terminal residues outside the canonical amyloid core weakens the fibril seeding efficiency and hinders propagation. Remarkably, a unique, asymmetric amyloid core is revealed by cryogenic electron microscopy in the N-terminally truncated 41–140 variant, highlighting the strong influence of the N terminus in dictating fibril structure. This work offers insights into the interplay of truncations and full-length proteins; thus, changes in their relative levels could prove to be beneficial for molecular intervention.
Amino acids activate mTORC1 to release roe deer embryos from decelerated proliferation during diapause
Authors: van der Weijden Vera A. , Bick Jochen T. , Bauersachs Stefan , Rüegg Anna B. , Hildebrandt Thomas B. , Goeritz Frank , Jewgenow Katarina , Giesbertz Pieter , Daniel Hannelore , Derisoud Emilie , Chavatte-Palmer Pascale , Bruckmaier Rupert M. , Drews Barbara , Ulbrich Susanne E.
Published: August 2021

Significance

In mammals, embryo development can halt at the hatched blastocyst stage. Uniquely, proliferation of diapausing embryonic roe deer cells decelerates to a doubling time of 2 to 3 wk over a period of 4 mo. We highlight nutrient sensing as an important factor regulating embryonic developmental pace. The resumption of embryo development is characterized by an increase in uterine fluid mTORC1-activating amino acids, embryonic mTORC1 activity, and expression of metabolism and cell cycle genes. We propose selective mTORC1 inhibition via reduced estrogen signaling and high let-7 levels as mechanisms for slow cell cycle progression. We hypothesize that it is the lack of embryonic mTORC2 inhibition during embryonic diapause in the roe deer that enables the continuous decelerated rate of proliferation.
Ssu72 phosphatase directly binds to ZAP-70, thereby providing fine-tuning of TCR signaling and preventing spontaneous inflammation
Authors: Ko Jae Sung , Jeong Dongjin , Koh Jaemoon , Jung Hyeryeon , Jung Kyeong Cheon , Jeon Yoon Kyung , Kim Hye Young , Yi Eugene C. , Lee Ho , Lee Chang-Woo , Chung Doo Hyun
Published: August 2021

Significance

The appropriate T cell receptor (TCR)–mediated activation in T cells is mandatory for efficient adaptive immunity. However, the mechanism for maintaining appropriate TCR signaling remains elusive. Moreover, Ssu72 is a phosphatase that regulates RNA polymerase II activity in the nucleus, and its functions in the fine-tuning of TCR signaling has not been investigated. This study demonstrates that Ssu72 regulates the fine-tuning of TCR signaling by binding to ZAP-70 and regulating its tyrosine phosphorylation, thereby preventing spontaneous inflammation. These results provide an immunologic insight for the fine-tuning of TCR signaling during autoimmunity.
Bayesian metamodeling of complex biological systems across varying representations
Authors: Raveh Barak , Sun Liping , White Kate L. , Sanyal Tanmoy , Tempkin Jeremy , Zheng Dongqing , Bharath Kala , Singla Jitin , Wang Chenxi , Zhao Jihui , Li Angdi , Graham Nicholas A. , Kesselman Carl , Stevens Raymond C. , Sali Andrej
Published: August 2021

Significance

Cells are the basic units of life, yet their architecture and function remain to be fully characterized. This work describes Bayesian metamodeling, a modeling approach that divides and conquers a large problem of modeling numerous aspects of the cell into computing a number of smaller models of different types, followed by assembling these models into a complete map of the cell. Metamodeling enables a facile collaboration of multiple research groups and communities, thus maximizing the sharing of expertise, resources, data, and models. A proof of principle is provided by a model of glucose-stimulated insulin secretion produced by the Pancreatic β-Cell Consortium.
Pathway conversion enables a double-lock mechanism to maintain DNA methylation and genome stability
Authors: He Li , Zhao Cheng , Zhang Qingzhu , Zinta Gaurav , Wang Dong , Lozano-Durán Rosa , Zhu Jian-Kang
Published: August 2021

Significance

In plants, several DNA methylation pathways help maintain DNA methylation patterns to ensure that transposons remain in a silenced state and cell-specific DNA methylation is preserved after cell division. Here, we demonstrate that loss of function of the chromatin remodeler DDM1 induces a pathway conversion from CMT2- to RdDM-dependency to ensure the maintenance of CHH methylation. In plants defective in both DDM1 and RdDM, there is strong reactivation of TEs and a burst of TE transposition. Thus, our work not only identifies a variant of the RdDM pathway, but also shows that DNA methylation maintenance at a given locus is an adaptable process, revealing the existence of a double-insurance mechanism for the regulation of DNA methylation to guarantee genome integrity.
Knowledge types and presuppositions
Authors: Navera Jocelyn A. S. , Gustilo Leah
Published: August 2021

Public apologies are so prevalent in our social lives that they have become a subject of scholarly investigation all over the globe. The present study, which involves coding, frequency counting, and qualitative analysis, examines the strategic aspects of 16 public apologies issued to Filipino apologizees. The results of our analysis indicate that apologizers often choose varied knowledge types and draw upon presuppositions to strategically omit details that can negatively influence their credibility and the reception of their apology. More specifically, apologizers use the audience’s presuppositions to avoid presenting common knowledge of the offense that may incriminate them further; they also omit the mention of future action that may hold them more accountable for their transgressions. Our present analysis bolsters the view that although the sincerity of public apologies cannot be exactly measured, they are still performed as part of image repair and management of interpersonal relationships.
Mechanical competition alters the cellular interpretation of an endogenous genetic program
Authors: Bhide Sourabh , Gombalova Denisa , Mönke Gregor , Stegmaier Johannes , Zinchenko Valentyna , Kreshuk Anna , Belmonte Julio M. , Leptin Maria
Published: August 2021

The intrinsic genetic program of a cell is not sufficient to explain all of the cell’s activities. External mechanical stimuli are increasingly recognized as determinants of cell behavior. In the epithelial folding event that constitutes the beginning of gastrulation in Drosophila, the genetic program of the future mesoderm leads to the establishment of a contractile actomyosin network that triggers apical constriction of cells and thereby tissue folding. However, some cells do not constrict but instead stretch, even though they share the same genetic program as their constricting neighbors. We show here that tissue-wide interactions force these cells to expand even when an otherwise sufficient amount of apical, active actomyosin is present. Models based on contractile forces and linear stress–strain responses do not reproduce experimental observations, but simulations in which cells behave as ductile materials with nonlinear mechanical properties do. Our models show that this behavior is a general emergent property of actomyosin networks in a supracellular context, in accordance with our experimental observations of actin reorganization within stretching cells.