bluuebunny/crossref_metadata_2025 huggingface dataset:
Dehumidification at high temperature and high humidity by low-temperature regenerative polymers
Authors: Wakita Hidenobu , Okumura Yasuaki
Published: February 2022

Poly(N-acryloylglycinamide-co-acrylonitrile) adsorbed moisture at high temperature and was regenerated at low temperature, due to the decrease in the glass transition temperature by adsorbed water.
Effect of chemical substitution on the construction of boroxine-based supramolecular crystalline polymers featuring B←N dative bonds
Authors: Bhandary Subhrajyoti , Shukla Rahul , Van Hecke Kristof
Published: February 2022

B←N dative bond-associated molecular to polymeric crystals have been synthesized by tuning their electronic features. The supramolecular and quantum crystallographic aspects of the B←N dative bonds were thoroughly investigated.
Role of mechanical deformation in the thermal transport of sI-type methane hydrate
Authors: Xu Ke , Lin Yanwen , Shi Qiao , Li Tong , Zhang Zhisen , Wu Jianyang
Published: February 2022

Thermal conductivity of methane hydrates is greatly dictated by mechanical strain.
Real-time monitoring the staged interactions between cationic surfactants and a phospholipid bilayer membrane
Authors: Xia Yu , Sun Shuqing , Zhang Zhihong , Ma Wendong , Dou Yujiang , Bao Meimei , Yang Kai , Yuan Bing , Kang Zhenhui
Published: February 2022

The membrane actions of a cationic surfactant occur in a concentration-dependent and dynamically-staged way.
Photoelectron angular distributions as sensitive probes of surfactant layer structure at the liquid–vapor interface
Authors: Dupuy Rémi , Filser Jakob , Richter Clemens , Seidel Robert , Trinter Florian , Buttersack Tillmann , Nicolas Christophe , Bozek John , Hergenhahn Uwe , Oberhofer Harald , Winter Bernd , Reuter Karsten , Bluhm Hendrik
Published: February 2022

Photoelectron angular distributions can yield information on the relative depth of different molecular groups at the liquid–vapor interface.
Surface dynamics on submonolayer Pb/Cu(001) surfaces
Authors: Borisova S. D. , Eremeev S. V. , Rusina G. G. , Chulkov E. V.
Published: February 2022

The interplay of the atomic structure and phonon spectra of various two-dimensional ordered phases forming during submonolayer (from 0.375 ML to ultimate 0.6 ML) Pb adsorption on a Cu(001) surface is investigated using embedded atom method interatomic interaction potentials.
Preparation of water-dispersible Janus nanosheets from K4Nb6O17·3H2O and their behaviour as a two-dimensional surfactant on air–water and water-toluene interfaces
Authors: Suzuki Ryoko , Nagai Tomoki , Onitsuka Emika , Idota Naokazu , Kunitake Masashi , Nishimi Taisei , Sugahara Yoshiyuki
Published: February 2022

Water dispersible K4Nb6O17·3H2O-based Janus nanosheets were successfully prepared and exhibited unique behaviour at the water–air interface and at the water–toluene interface.
Crystal-array-assisted growth of a perovskite absorption layer for efficient and stable solar cells
Authors: Shen Zhichao , Han Qifeng , Luo Xinhui , Shen Yangzi , Wang Tao , Zhang Caiyi , Wang Yanbo , Chen Han , Yang Xudong , Zhang Yiqiang , Han Liyuan
Published: February 2022

The PCA regularly distributing on the substrate served as templated crystals and induced a well-organized bottom-up crystallization process, which greatly improved the crystallinity of the perovskite film.
K/O co-doping and introduction of cyano groups in polymeric carbon nitride towards efficient simultaneous solar photocatalytic water splitting and biorefineries
Authors: Yang Xiaopan , Ma Jiliang , Sun Shaofei , Liu Zhendong , Sun Runcang
Published: February 2022

The simultaneous production of hydrogen and biomass-based chemicals from biomass-derived feedstock aqueous solutions via photocatalysis is appealing because no additional sacrificial agent is needed.
One-step hydroxylation of aryl and heteroaryl fluorides using mechanochemistry
Authors: Rodrigo Eduardo , Wiechert Rainer , Walter Magnus W. , Braje Wilfried , Geneste Hervé
Published: February 2022

Simple use of KOH allows the direct F to OH exchange of aromatic and heteroaromatic substrates under mechanochemical conditions.
A mono-oxo-bridged binuclear iron(iii) complex with a Fe–O–Fe angle of 180.0° and its catalytic activity for hydrogen evolution
Authors: Sun Xia-Xing , Du Juan , Tan Jie-Jie , Zhan Shu-Zhong
Published: February 2022

There are potential applications for binuclear oxo-bridged iron complexes in biological processes, catalysts, and magnetic materials, and the design of new bridged-iron complexes is important.
Fast self-healing solid polymer electrolyte with high ionic conductivity for lithium metal batteries
Authors: Zhang Ling-Jun , Zhou Lu , Yan Yang , Wu Ming-Xing , Wu Na
Published: February 2022

By introducing multiple molecule/intermolecular hydrogen bonds into the polydimethylsiloxane elastomer system, the solid polymeric electrolyte with high ion conductivity and high electrochemical stability obtains the fast self-healing speed.
A highly selective and sensitive spectrofluorimetric method for the assessment of 3-nitrotyrosine in serum using (Eu(TTA)3Phen) photo probe
Authors: Attia Mohmed S. , Youssef Ahmed O. , Abdel-Sattar Nour A. , Amin Mohammed A. , Alharthi Sarah , Mohamed Ekram H. , Mahmoud Safwat A. , Abou-Omar Mona N.
Published: February 2022

A simple, accurate and fast method was developed for the assessment of 3-nitrotyrosine as a biomarker for the early diagnosis of liver cirrhosis with minimal hepatic encephalopathy (MHE) using a (Eu(TTA)3Phen) photo probe.
Folic acid functionalized aggregation-induced emission nanoparticles for tumor cell targeted imaging and photodynamic therapy
Authors: Wen Danning , Zhang Xueyun , Ding Lei , Wen Huan , Liu Wen , Zhang Chengwu , Wang Bin , Li Lihong , Diao Haipeng
Published: February 2022

Herein, a novel nanoparticle, FFM1, displays good water solubility, biocompatibility and AIE emission properties. It has shown potential application value in targeted diagnosis and photodynamic therapy of tumors by recognizing folate receptor.
VR in chemistry, a review of scientific research on advanced atomic/molecular visualization
Authors: Fombona-Pascual Alba , Fombona Javier , Vázquez-Cano Esteban
Published: February 2022

Atomic/molecular visualization for human sight is usually generated by a software that reproduces a 3D reality on a 2D screen. Although Virtual Reality (VR) software was originally developed for the gaming industry, now it is used in academia for chemistry teaching. This work reviews the scientific literature on 3D visualization in stereoscopic vision, the VR. VR has the capability to simulate reality since we do not observe these real particles, but it reproduces their shapes and movements digitally. The aim of this study is to present the applications of this technology and to show the function of VR in the field of chemistry and the potential for implementation of VR in research and educational settings. The review is based on 219 articles and meeting papers, between 2018 and 2020, obtained from Web of Science (WoS). A series of registers from the WoS repository was analyzed and assigned to three groups, an analysis of 2D support software, analysis of research on Virtual Reality (VR), and research on Virtual Laboratories (VL). The research on advanced atomic/molecular simulation reveals discrepancies regarding the VR effectiveness of Chemistry teaching. Novel Virtual Reality Laboratory (VRL) methodologies are emerging that have a high impact on educational and research scenarios. VL and VRL entail several advantages and drawbacks, such as the implementation of new methodologies, the increase in the students’ motivation, the growth of new spaces for collaborative online interaction, and the interaction with physical structure of any impossible, dangerous, or not feasible elements. Finally, the article compares the main features and the learning outcomes of the VRL and the traditional laboratory.
Photoinduced immobilization of 2-methacryloyloxyethyl phosphorylcholine polymers with different molecular architectures on a poly(ether ether ketone) surface
Authors: Fukazawa Kyoko , Mu Mingwei , Chen Sheng-Han , Ishihara Kazuhiko
Published: February 2022

Poly(ether ether ketone) (PEEK) has seen increasing use in biomedical fields as a replacement for metal implants.
Ambipolar organic phototransistors with bulk heterojunction films of p-type and n-type indacenodithienothiophene-containing conjugated polymers
Authors: Son Hyunji , Kim Taehoon , Lee Chulyeon , Kim Hwajeong , Kim Youngkyoo
Published: February 2022

Ambipolar organic phototransistors with blend films of p-type and n-type indacenodithienothiophene (IDTT)-based conjugated polymers can detect a full range of visible light with high sensitivity up to 1400%.
Excited-state modulation via alteration of the heterocyclic moiety in 9,9-dimethylfluorene-based Ir(iii) phosphorescent dopants for blue PhOLEDs
Authors: Yun Bo-Sun , Kim So-Yoen , Kim Jin-Hyoung , Lee Sanghun , Son Ho-Jin , Kang Sang Ook
Published: February 2022

Alteration of heterocyclic moiety (:C → Ir vs. N → Ir) and change of π-conjugation length in the main chelating ligand significantly affect the excited-state properties of phosphorescent Ir(iii) complexes.
A NIR-emissive probe with a remarkable Stokes shift for CO-releasing molecule-3 detection in cells andin vivo
Authors: Li Songjiao , Yang Ke , Zeng Jiayu , Xia Yuqing , Cheng Dan , He Longwei
Published: February 2022

A NIR-emitting probe with a remarkable Stokes shift for detecting CO-releasing molecule-3 in living cells andin vivo.
Carbon dots-decorated hydroxyapatite nanowires–lanthanide metal–organic framework composites as fluorescent sensors for the detection of dopamine
Authors: Sun Mengyao , Zhang Lei , Xu Sen , Yu Bohao , Wang Yajie , Zhang Lingyi , Zhang Weibing
Published: February 2022

A ratiometric composite fluorescent probe (HAPNWs-CDs-Tb/MOF) with hydroxyapatite carrier and the fluorescence ratio of carbon dots and lanthanide metal organic framework as the response signal was prepared for the detection of dopamine.
A vinylogous Norrish reaction as a strategy for light-mediated ring expansion
Authors: Gorobets Evgueni , Papatzimas James W. , Dourado Jorge , Yousefalizadeh Goonay , Lee JinGyu , Brownsey Duncan K. , Stamplecoskie Kevin , Davis Rebecca , Derksen Darren J.
Published: February 2022

Photo-mediated ring expansion using UV-A light. 22 examples, 75–96% yield. The mechanism was investigated by DFT and Transient Absorption Spectroscopy.
Correction: Antibody-coated microstructures for selective isolation of immune cells in blood
Authors: Li Jiyu , Liu Ya , Ren Jifeng , Tay Benjamin Zikai , Luo Tao , Fan Lei , Sun Dong , Luo Guannan , Lau Denvid , Marcos  , Lam Raymond H. W.
Published: February 2022

Correction for ‘Antibody-coated microstructures for selective isolation of immune cells in blood’ by Jiyu Li et al., Lab Chip, 2020, 20, 1072–1082, DOI: 10.1039/D0LC00078G.
A new method for C(sp2)–H sulfonylmethylation with glyoxylic acid and sodium sulfinates
Authors: Chen Jiewen , Tian Jinhong , Wen Kangmei , Gao Qiwen , Shi Jie , Yao Xingang , Wu Ting , Tang Xiaodong
Published: February 2022

A novel and efficient method for C(sp2)–H sulfonylmethylation with glyoxylic acid and sodium sulfinates was developed.
Introduction to CO2 capture, utilization and storage (CCUS)
Authors: Wang Qiang , Pfeiffer Heriberto , Amal Rose , O'Hare Dermot
Published: February 2022

Qiang Wang, Heriberto Pfeiffer, Rose Amal, and Dermot O'Hare introduce the Reaction Chemistry & Engineering themed collection on CO2 capture, utilization and storage (CCUS).
A search for cool molecular gas in GK Persei and other classical novae
Authors: Kamiński Tomek , Mazurek Helena J. , Menten Karl M. , Tylenda Romuald
Published: February 2022

Detecting molecular line emission from classical nova remnants has the potential to reveal information on the composition of the ejecta, in particular accurate isotopic ratios in the matter processed by a thermonuclear runaway. We conducted searches toward more than 100 classical novae for emission in lines of CO or HCN molecules using single-dish telescopes and interferometric arrays at millimeter and submillimeter wavelengths. The survey demonstrates that classical novae, young or old, are not strong sources of molecular emission at submillimeter or millimeter wavelengths. Additionally, we mapped CO emission around Nova Persei 1901 (GK Per), earlier claimed to be of circumstellar origin. Our measurements indicate that the observed emission is from the interstellar medium. Although no molecular emission at millimeter or submillimeter wavelengths has been found in classical novae, it is still likely that some will be detected with high-sensitivity interferometers such as ALMA.
Morphing for faster computations with finite difference time domain algorithms
Authors: Aznavourian Ronald , Guenneau Sébastien , Ungureanu Bogdan , Marot Julien
Published: February 2022

In the framework of wave propagation, finite difference time domain (FDTD) algorithms, yield high computational time. We propose to use morphing algorithms to deduce some approximate wave pictures of their interactions with fluid-solid structures of various shapes and different sizes deduced from FDTD computations of scattering by solids of three given shapes: triangular, circular and elliptic ones. The error in theL2norm between the FDTD solution and approximate solution deducedviamorphing from the source and destination images are typically less than 1% if control points are judiciously chosen. We thus propose to use a morphing algorithm to deduce approximate wave pictures: at intermediate time steps from the FDTD computation of wave pictures at a time step before and after this event, and at the same time step, but for an average frequency signal between FDTD computation of wave pictures with two different signal frequencies. We stress that our approach might greatly accelerate FDTD computations as discretizations in space and time are inherently linkedviathe Courant–Friedrichs–Lewy stability condition. Our approach requires some human intervention since the accuracy of morphing highly depends upon control points, but compared to the direct computational method our approach is much faster and requires fewer resources. We also compared our approach to some neural style transfer (NST) algorithm, which is an image transformation method based on a neural network. Our approach outperforms NST in terms of theL2norm, Mean Structural SIMilarity, expected signal to error ratio.
Complete Tracheal Ring Deformity, Recurrent Pneumothoraces and
Pleuropulmonary Blastoma in a Child: Coincidence or Common Genetic
Cause?
Authors: Thiemann Inga , Hoppen Thomas , Laur Martin , Ohlert Manuel , Lobitz Stephan , Schwerk Nicolaus , Dingemann Jens , Länger Florian , Grychtol Ruth Margarethe , Nüßlein Thomas
Published: February 2022

Complete tracheal ring deformity (CTRD) is a rare abnormality of unknown etiology
characterized by circumferentially continuous cartilaginous tracheal rings
leading to variable degrees of tracheal stenosis with or without additional
heart and lung malformations. Pleuropulmonary blastomas (PPB) are rare malignant
mesenchymal tumors, which occur almost exclusively in young children. Pathogenic
germline DICER1 variants are associated with PPB but also with other
tumors like rhabdomyosarcoma or syndromic diseases like GLOW (Global
developmental delay, lung cysts, overgrowth and Wilms tumor) syndrome. Here, we
report a case with CTRD and recurrent pneumothoraces who additionally developed
PPB on the genetic background of a pathogenic DICER1 variant.
Ultraschallgestützte Lagekontrolle des Endotrachealtubus bei
Neugeborenen
Authors: Sandig Jan , Bührer Christoph , Czernik Christoph
Published: February 2022

Eine sichere Evaluation der korrekten Lage eines Endotrachealtubus ist eine
wichtige Herausforderung in der Neonatologie. Der Point-of-Care Ultrasound ist
eine neue Methode zur Beantwortung dieser Fragestellung, die rasch
verfügbar ist, keine Strahlenexposition verursacht, mit niedrigem
Personalaufwand verbunden ist und eine geringe Belastung für die
Neugeborenen darstellt. Dieser Übersichtsartikel legt einen Fokus auf
die Evaluation der klinischen Anwendbarkeit des Point-of-Care Ultrasound zur
Untersuchung der Position des Tubus anhand von drei praxisrelevanten
Fragestellungen zur Darstellbarkeit, Vergleichbarkeit mit dem Standard der
Röntgenuntersuchung und dem Trainingsaufwand der Untersuchungstechnik.
Im ersten Schritt wurden neun Studien identifiziert, die zur Beantwortung der
Fragestellungen herangezogen wurden. Eine Darstellung der Spitze des Tubus ist
mit Hilfe des Point-of-Care Ultrasound sehr gut möglich. Die
Abschätzung der optimalen Tubuslage ist unter Bezugnahme auf anatomische
Leitstrukturen mit den Ergebnissen der Röntgen-Thoraxaufnahme
vergleichbar. Die Untersuchungstechnik ist für Ärztinnen und
Ärzte mit Vorerfahrungen im Ultraschall geeignet. Erfolgversprechende
Anwendungsgebiete des Point-of-care Ultrasound sind Notfall-Intubationen, der
routinemäßige Einsatz bei Frühgeborenen mit extrem
niedrigem Geburtsgewicht und in Ländern mit beschränkten
Ressourcen. Zur Förderung des Bekanntheitsgrads und der klinischen
Anwendung bietet dieser Artikel eine Praxisanleitung der
Untersuchungstechnik.
Therapeutic endoscopic ultrasound: European Society of Gastrointestinal Endoscopy (ESGE) Technical Review
Authors: van Wanrooij Roy L. J. , Bronswijk Michiel , Kunda Rastislav , Everett Simon M. , Lakhtakia Sundeep , Rimbas Mihai , Hucl Tomas , Badaoui Abdenor , Law Ryan , Arcidiacono Paolo Giorgio , Larghi Alberto , Giovannini Marc , Khashab Mouen A. , Binmoeller Kenneth F. , Barthet Marc , Pérez-Miranda Manuel , van Hooft Jeanin E. , van der Merwe Schalk W.
Published: February 2022

Main Recommendations

1 ESGE recommends a prolonged course of a prophylactic broad-spectrum antibiotic in patients with ascites who are undergoing therapeutic endoscopic ultrasound (EUS) procedures.Strong recommendation, low quality evidence.

2 ESGE recommends placement of partially or fully covered self-expandable metal stents during EUS-guided hepaticogastrostomy for biliary drainage in malignant disease.Strong recommendation, moderate quality evidence.

3 ESGE recommends EUS-guided pancreatic duct (PD) drainage should only be performed in high volume expert centers, owing to the complexity of this technique and the high risk of adverse events.Strong recommendation, low quality evidence.

4 ESGE recommends a stepwise approach to EUS-guided PD drainage in patients with favorable anatomy, starting with rendezvous-assisted endoscopic retrograde pancreatography (RV-ERP), followed by antegrade or transmural drainage only when RV-ERP fails or is not feasible.Strong recommendation, low quality evidence.

5 ESGE suggests performing transduodenal EUS-guided gallbladder drainage with a lumen-apposing metal stent (LAMS), rather than using the transgastric route, as this may reduce the risk of stent dysfunction.Weak recommendation, low quality evidence.

6 ESGE recommends using saline instillation for small-bowel distension during EUS-guided gastroenterostomy.Strong recommendation, low quality evidence.

7 ESGE recommends the use of saline instillation with a 19G needle and an electrocautery-enhanced LAMS for EUS-directed transgastric endoscopic retrograde cholangiopancreatography (EDGE) procedures.Strong recommendation, low quality evidence.

8 ESGE recommends the use of either 15- or 20-mm LAMSs for EDGE, with a preference for 20-mm LAMSs when considering a same-session ERCP.Strong recommendation, low quality evidence.
1,4,2-Dioxazol-5-ones as Isocyanate Equivalents: Chemoselective Non-Metal-Catalyzed Carboxamidation of Indoles
Authors: Soni Jigar Y. , Vala Anand , Parmar Deepa , Rayani Rahul , Kusurkar Rakesh , Guduru Ramakrishna , Kaneriya Uttam , Gondaliya Uday , Parmar Nirali
Published: February 2022

1,4,2-Dioxazol-5-ones are known to undergo decarboxylation under thermal conditions followed by Lossen’s rearrangement to give isocyanates. Described herein is the in situ trapping of the isocyanates by indoles to give indole-3-carboxamides in good to excellent yields.
Single-Session Mechanical Thrombectomy of Lower Extremity Deep Venous Thrombosis Using the ClotTriever System: A Single-Institution Experience
Authors: Wadhwa Vibhor , Malhotra Anuj , Kesselman Andrew
Published: February 2022

Purpose The aim of this study was to provide a single-center experience in utilization of the ClotTriever mechanical thrombectomy system in acute and subacute deep vein thrombosis (DVT).

Methods Retrospective review was performed for all patients who underwent DVT thrombectomy using the ClotTriever system at a single academic medical center. Data recorded included age, gender, etiology, laterality of DVT, fluoroscopy time, perioperative parameters, type of anesthesia, concomitant usage of thrombolytics and/or stents. Follow-up Doppler ultrasounds or diagnostic venograms were reviewed, and time of reintervention (if performed) and Villalta scores were recorded.

Results Ten patients were included in the study, with 6/10 female (60%), mean age 54.6 years (range: 24–80). Eight patients presented with acute iliofemoral DVT, one patient with subacute iliofemoral DVT, and one patient with subacute inferior vena cava thrombosis. Only one patient required concomitant intraprocedural thrombolytic administration, and four patients underwent same-session venous stent placement. Technical success was achieved in 90% patients and no procedure-related adverse events were observed. Reintervention within 30 days was required in two (20%) patients at 12 and 13 days. No patient required intensive care unit (ICU) stay, and mean postprocedure hospital length of stay was 2.3 days. On follow-up (mean: 214 days), five patients had no evidence of DVT and four patients showed chronic postthrombotic changes in femoropopliteal veins not requiring intervention.

Conclusion The ClotTriever mechanical venous thrombectomy system demonstrates high efficacy in removal of thrombus from lower extremities in a single session, often obviating the need for thrombolytic therapy with low reintervention rates and short postprocedure hospital stay.
Comparing the Use of DynaMed and UpToDate by Physician Trainees in Clinical Decision-Making: A Randomized Crossover Trial
Authors: Baxter Sally L. , Lander Lina , Clay Brian , Bell John , Hansen Kristen , Walker Amanda , Tai-Seale Ming
Published: February 2022

Background Costs vary substantially among electronic medical knowledge resources used for clinical decision support, warranting periodic assessment of institution-wide adoption.

Objectives To compare two medical knowledge resources, UpToDate and DynaMed Plus, regarding accuracy and time required to answer standardized clinical questions and user experience.

Methods A crossover trial design was used, wherein physicians were randomized to first use one of the two medical knowledge resources to answer six standardized questions. Following use of each resource, they were surveyed regarding their user experience. The percentage of accurate answers and time required to answer each question were recorded. The surveys assessed ease of use, enjoyment using the resource, quality of information, and ability to assess level of evidence. Tests of carry-over effects were performed. Themes were identified within open-ended survey comments regarding overall user experience.

Results Among 26 participating physicians, accuracy of answers differed by 4 percentage points or less. For all but one question, there were no significant differences in the time required for completion. Most participants felt both resources were easy to use, contained high quality of information, and enabled assessment of the level of evidence. A greater proportion of participants endorsed enjoyment of use with UpToDate (23/26, 88%) compared with DynaMed Plus (16/26, 62%). Themes from open-ended comments included interface/information presentation, coverage of clinical topics, search functions, and utility for clinical decision-making. The majority (59%) of open-ended comments expressed an overall preference for UpToDate, compared with 19% preferring DynaMed Plus.

Conclusion DynaMed Plus is noninferior to UpToDate with respect to ability to achieve accurate answers, time required for answering clinical questions, ease of use, quality of information, and ability to assess level of evidence. However, user experience was more positive with UpToDate. Future studies of electronic medical knowledge resources should continue to emphasize evaluation of usability and user experience.
Design, Implementation, Utilization, and Sustainability of a Fast Healthcare Interoperability Resources–Based Inpatient Rounding List
Authors: Taxter Alysha , Frenkel Mark , Witek Lauren , Bundy Richa , Kirkendall Eric , Miller David , Dharod Ajay
Published: February 2022

Objective We designed and implemented an application programming interface (API)-based electronic health record (EHR)-integrated rounding list and evaluated acceptability, clinician satisfaction, information accuracy, and efficiency related to the application.

Methods We developed and integrated an application, employing iterative design techniques with user feedback. EHR and application user action logs, as well as hospital safety reports, were evaluated. Rounding preparation characteristics were obtained through surveys before and after application integration. To evaluate usability, inpatient providers, including residents, fellows, and attendings were surveyed 2 weeks prior to and 6 months after enterprise-wide EHR application integration. Our primary outcome was provider time savings measured by user action logs; secondary outcomes include provider satisfaction.

Results The application was widely adopted by inpatient providers, with more than 69% of all inpatients queried by the application within 6 months of deployment. Application utilization was sustained throughout the study period with 79% (interquartile range [IQR]: 76, 82) of enterprise-wide unique patients accessed per weekday. EHR action logs showed application users spent −3.24 minutes per day (95% confidence interval [CI]: −6.8, 0.33), p = 0.07 within the EHR compared with nonusers. Median self-reported chart review time for attendings decreased from 30 minutes (IQR: 15, 60) to 20 minutes (IQR: 10, 45) after application integration (p = 0.04). Self-reported sign-out preparation time decreased by a median of 5 minutes (p < 0.01), and providers were better prepared for hand-offs (p = 0.02). There were no increased safety reports during the study period.

Conclusion This study demonstrates successful integration of a rounding application within a commercial EHR using APIs. We demonstrate increasing both provider-reported satisfaction and time savings. Rounding lists provided more accurate and timely information for rounds. Application usage was sustained across multiple specialties at 42 months. Other application designers should consider data density, optimization of provider workflows, and using real-time data transfer using novel tools when designing an application.
The Future of Pediatric Surgery—Women and Part Time?
Authors: Schmedding Andrea , Sinnig Mechthild
Published: February 2022

Introduction Working conditions are changing rapidly in medicine. We analyzed the actual work situation and future plans in the next 5 years and in the long term.

Materials and Methods A survey among the members of the German Society of Pediatric Surgery was performed asking how and where physicians work now and how and where they want to work in the future.

Results Five hundred twelve questionnaires were sent out, and 195 colleagues answered the questionnaire (99 women, 94 men, and 2 of unknown gender). Among them, 27% were trainees, 16% were fully trained pediatric surgeons, 6% were senior physicians, and 50% were consultants, while 66% worked full time, 25% worked part time, and 8% did not work in pediatric surgery. In the future, 49% of consultants and 24% of the trainees wanted to work part time. Among the 73 participants who wanted to become a department head, 33% of them also wanted to work part time.

Conclusion Pediatric surgery is changing toward a discipline with many female doctors and people working part time. Leaders in pediatric surgery should be aware of this development to adapt their working conditions to reality.
Design could lead to inexpensive, ultra-stable zinc-ion batteries
Authors: Thompson Avery
Published: February 2022

Unique structure using a dual-cation vanadium cathode results in a battery that remains stable for nearly 10,000 cycles
Robotic automation of droplet microfluidics
Authors: Tran Tuan M. , Kim Samuel C. , Modavi Cyrus , Abate Adam R.
Published: February 2022

Droplet microfluidics enables powerful analytic capabilities but often requires workflows involving macro- and microfluidic processing steps that are cumbersome to perform manually. Here, we demonstrate the automation of droplet microfluidics with commercial fluid-handling robotics. The workflows incorporate common microfluidic devices including droplet generators, mergers, and sorters and utilize the robot's native capabilities for thermal control, incubation, and plate scanning. The ability to automate microfluidic devices using commercial fluid handling will speed up the integration of these methods into biological workflows.
Scattering mechanism of hole carriers in organic molecular semiconductors deduced from analyses of terahertz absorption spectra using Drude–Anderson model
Authors: Han Y. , Miyamoto T. , Otaki T. , Takamura N. , Kida N. , Osakabe N. , Tsurumi J. , Watanabe S. , Okamoto T. , Takeya J. , Okamoto H.
Published: February 2022

To clarify the limiting factor of carrier transport in organic molecular semiconductors, we performed charge modulation spectroscopy of a field-effect transistor with a 3,11-didecyldinaphtho[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene (C10-DNBDT-NW) single crystal, which showed a hole-carrier mobility of 8.4 cm2 V−1 s−1 at 295 K. The terahertz absorption of electric-field-induced hole carriers increases with decreasing frequency down to 150 cm−1 (4.5 THz). However, it is not reproduced by the simple Drude model but tends to be suppressed with decreasing frequency. The spectral shape of the absorption and the mobility value were simultaneously reproduced by the Drude–Anderson model, which incorporates carrier scattering due to thermal molecular fluctuations. The frequency of the intermolecular vibration that dominates carrier scattering is estimated to be approximately 8 cm−1, which is in good agreement with the theoretically predicted value. Moreover, analyses of the absorption spectra at low temperatures reveal that the mobility increases to 14 cm2 V−1 s−1 at 240 K. These results demonstrate that thermal molecular fluctuations limit the mobility.
A perspective on nonlinearities in coherent magnetization dynamics
Authors: Li Jingwen , Yang Chia-Jung , Mondal Ritwik , Tzschaschel Christian , Pal Shovon
Published: February 2022

The recent thrust in ultrafast magnetization dynamics aims at extending spintronic functionalities to terahertz frequencies. Deterministic manipulation of magnetization at the corresponding ultrashort timescales requires minute control not only over the magnetization itself but also the reservoirs it is interacting with. Although the various intricate couplings between spins, phonons, and electrons—all of which are susceptible to ultrashort laser pulses—lead to many (often nonlinear) coupling routes, magnetization-dynamical nonlinearities have remained largely underexplored. In this Perspective, we highlight recent advances and foresee future developments in the rapidly evolving field of nonlinear magnetization dynamics. Given the elementary character of coherent excitations, we put particular emphasis on their nonlinearities. We briefly review theoretical aspects and assess excitation mechanisms to reach the nonlinear regime of magnetic excitations in a broad class of magnetic materials, such as ferromagnets, antiferromagnets, and ferrimagnets. We present an overview of the groundbreaking experiments that showcase the unique insights provided by magnetic nonlinearities. We conclude by discussing open challenges and opportunities that underpin the potential of nonlinear magnetization dynamics for the advancement of spintronics and cavity quantum electrodynamics with spin waves at terahertz frequencies.
Bi4Br4-based saturable absorber with robustness at high power for ultrafast photonic device
Authors: Liu Wenjun , Xiong Xiaolu , Liu Mengli , Xing XiaoWei , Chen Hailong , Ye Han , Han Junfeng , Wei Zhiyi
Published: February 2022

Saturable absorption may be induced at critical pumping power by nonlinear optical effects of nanomaterials, thereby making it possible to generate a high-power ultrafast laser. Recently, Bi4Br4 is theoretically predicted to be a member of topological insulators and is expected to be a promising candidate for saturable absorbers (SAs). We show here that Bi4Br4 features a large modulation depth of 42.3%. The Bi4Br4-based SA enables mode-locking operation at the near-infrared range, as demonstrated here by a 1.5 μm fiber laser with a signal-to-noise ratio (SNR) of 90 dB and a pulse duration of 172 fs. Moreover, the robustness of the Bi4Br4-based SA at relatively high power is of particular interest, which can be proved by a laser's stable operation state. The strong optical nonlinearity and robustness provided by Bi4Br4 may arouse a growing upsurge in the innovation of high-power ultrafast photonic devices and further development of photon applications.
High-order methods for diffuse-interface models in compressible multi-medium flows: A review
Authors: Maltsev V. , Skote M. , Tsoutsanis P.
Published: February 2022

The diffuse interface models, part of the family of the front capturing methods, provide an efficient and robust framework for the simulation of multi-species flows. They allow the integration of additional physical phenomena of increasing complexity while ensuring discrete conservation of mass, momentum, and energy. The main drawback brought by the adoption of these models consists of the interface smearing, increasing with the simulation time, therefore, requiring a counteraction through the introduction of sharpening terms and a careful selection of the discretization level. In recent years, the diffuse interface models have been solved using several numerical frameworks including finite volume, discontinuous Galerkin, and hybrid lattice Boltzmann method, in conjunction with shock and contact wave capturing schemes. The present review aims to present the recent advancements of high-order accuracy schemes with the capability of solving discontinuities without the introduction of numerical instabilities and to put them in perspective for the solution of multi-species flows with the diffuse interface method.
Single shot i-Toffoli gate in dispersively coupled superconducting qubits
Authors: Baker Aneirin J. , Huber Gerhard B. P. , Glaser Niklas J. , Roy Federico , Tsitsilin Ivan , Filipp Stefan , Hartmann Michael J.
Published: February 2022

Quantum algorithms often benefit from the ability to execute multi-qubit (>2) gates. To date, such multi-qubit gates are typically decomposed into single- and two-qubit gates, particularly in superconducting qubit architectures. The ability to perform multi-qubit operations in a single step could vastly improve the fidelity and execution time of many algorithms. Here, we propose a single shot method for executing an i-Toffoli gate, a three-qubit gate with two control and one target qubit, using currently existing superconducting hardware. We show numerical evidence for a process fidelity over 99.5% and a gate time of 450 ns for superconducting qubits interacting via tunable couplers. Our method can straight forwardly be extended to implement gates with more than two control qubits at similar fidelities.
Effect of nanopores on plasticity and their collapse mechanism in magnesium single crystal under shock loading
Authors: Jian Zhiyong , Chen Yangchun , Xiao Shifang , Yan Zini , Li Xiaofan , Wang Kun , Deng Huiqiu , Hu Wangyu
Published: February 2022

The influence of defects on the plastic properties of materials always captures much attention for ultrahigh strain-rate loading. By virtue of the planar shock compression in [0001], [101¯0], and [1¯21¯0] directions, our large-scale molecular dynamics simulations reveal that the prismatic nanopores facilitate the inelastic deformation, such as basal and prismatic glides, reorientation, and amorphization. And that, the nanopores with different center axial directions contribute to activation of various slip systems, such as basal and prismatic dislocation slip. The inelastic deformation induced nanopore collapse is an important mechanism of nanopore collapse at weak shock intensity. Three modes of collapse are obtained: a transverse and a longitudinal collapse from the basal glide, and an inclined collapse from the amorphization at the tip of the prismatic nanopore. The shear stress is highly concentrated at the elastic region about to be plastic deformation, and then attenuates mainly during inelastic deformation and nanopore collapse. The shock energy dissipation is correlated to the conversion between kinetic energy and internal energy, which leads to a higher local temperature around the prismatic nanopore.
The origin of hexagonal phase and its evolution process in Ge2Sb2Te5 alloy
Authors: Liu Cheng , Tang Qiongyan , Zheng Yonghui , Zhang Bin , Zhao Jin , Song Wenxiong , Cheng Yan , Song Zhitang
Published: February 2022

Ge2Sb2Te5 (GST) is the most important material for phase change random access memory (PCRAM) applications, while the formation of hexagonal (h-) phase results in low switching speed, large energy consumption, and worse endurance performance. Uncovering the formation mechanism of h-phase is beneficial for the further improvement of GST-based PCRAM devices. In this work, through advanced spherical aberration corrected transmission electron microscopy and transmission electron back-scattered diffraction technique, the mechanism of h-phase microstructure evolution is clearly clarified. We find that the vacancy ordering is more likely to appear around the grain boundary in a face-centered-cubic (f-) phase grain, which is the starting point for the generation of h-phase. More specifically, all the atoms in f-phase undergo a gradual shift into h-lattice positions to complete the f-to-h structural transition. By introducing an elemental dopant, for instance, carbon (C), the aggregation of C clusters prefers to distribute in the grain boundary area, which is the essential reason for postponing the generation and expansion of h-phase and greatly improving the thermal stability of C-GST material. In short, clarification of the origin of h-structure incubated from f-phase guides the optimization strategy of GST-based PCRAM devices.
Length dependence of magnetoresistance in organic spin valves
Authors: Li Dan , Zhang Huiqing , Miao Yuanyuan , Ren Junfeng , Wang Chuankui , Hu Guichao
Published: February 2022

With the Su–Schrieffer–Heeger model and Green's function method, the length dependence of magnetoresistance in organic spin valves is calculated in the frame of tunneling transport. Based on different energy level alignments between the molecule and the electrodes, the length effect on the magnetoresistance is investigated in three transport schemes, barrier tunneling, resonant tunneling, and transition between them. In the first scheme, a length-induced exponential or linear decline of the magnetoresistance is obtained. An oscillation and nonlinear dependence are observed in the second and third schemes. The mechanism is explained by investigating the transmission spectra at different lengths, where the evolution of the efficient transmission in the bias window with length differs in different schemes. The results agree with many experimental measurements qualitatively.
Applying interval stability concept to empirical model of middle Pleistocene transition
Authors: Loskutov E. , Vdovin V. , Klinshov V. , Gavrilov A. , Mukhin D. , Feigin A.
Published: February 2022

Interval stability is a novel method for the study of complex dynamical systems, allowing for the estimation of their stability to strong perturbations. This method describes how large perturbation should be to disrupt the stable dynamical regime of the system (attractor). In our work, interval stability is used for the first time to study the properties of a real natural system: to analyze the stability of the earth’s climate system during the last 2.6×106 years. The main abrupt shift in global climate during this period is the middle Pleistocene transition (MPT), which occurred about 1×106 years ago as a change of the periodicity of glacial cycles from 41 to 100 kyr. On the basis of the empirical nonlinear stochastic model proposed in our recent work, we demonstrate that the global climate stability to any perturbations decreases throughout the Pleistocene period (including the MPT), enhancing its response to fast (with a millennial scale or less) internal disturbances.
Elastic strain engineered nanomechanical GaN resonators with thermoelastic dissipation dilution up to 600 K
Authors: Sun Huanying , Sang Liwen , Shen Xiulin , Yang Xuelin , Li Tiefu , You J. Q. , Shen Bo , Liao Meiyong
Published: February 2022

Conventionally, mechanical resonators exhibit evident degradation in quality factor and large frequency fluctuation at elevated temperatures above room temperature. Here, we show that the quality factor of up to 105 of a highly stressed GaN on Si nanomechanical resonators experiences little change as temperature increasing to 600 K and the temperature coefficient of the resonance frequency (TCF) is as low as several ppm/K, several times lower than those of the conventional GaN mechanical resonators. The high quality factor and low TCF at high temperatures are attributed to the high stress and the geometrical nonlinearity of dynamical strain in the GaN resonator, where the dissipation caused by the change of the material properties with the increasing temperature is compensated by the increased stiffness. This observation violates the universality of thermal energy dissipation in mechanical resonators. The results provide a universal strategy for engineering nanomechanical resonators with ultrahigh sensitivity and ultralow noise.
Mechanism of low-temperature-annealed Ohmic contacts to AlGaN/GaN heterostructures: A study via formation and removal of Ta-based Ohmic-metals
Authors: Uryu Kazuya , Kiuchi Shota , Sato Taku , Suzuki Toshi-kazu
Published: February 2022

We studied the mechanism of low-temperature-annealed Ohmic contacts to AlGaN/GaN heterostructures via formation and removal of Ta/Al/Ta Ohmic-metals. Multi-probe Hall device measurements show one order increase in the sheet electron concentration after Ohmic-metal formation compared with that before formation, indicating that high-density doping takes place in the AlGaN/GaN heterostructure under the Ohmic-metal. However, after Ohmic-metal removal, the increased sheet electron concentration returns to the value before formation. Moreover, we formed Ni/Au Schottky contacts on the AlGaN/GaN heterostructures before Ohmic-metal formation and after Ohmic-metal removal, and confirmed that the characteristics are almost the same. These results indicate that donors do not exist after Ohmic-metal removal, suggesting that, although high-density doping takes place, high-density donors are not formed under the Ohmic-metal. The high-density doping without high-density donors could be attributed to polarization doping, playing a significant role in Ohmic contact formation.
Memristor-type chaotic mapping
Authors: Li Yongxin , Li Chunbiao , Zhao Yibo , Liu Sicong
Published: February 2022

In this letter, a compact memristor structure unit is applied for constructing the discrete chaotic system and, consequently, a memristor-type chaotic mapping is designed. Two independent system parameters are proven to be partial and total amplitude controllers. Meanwhile, the internal memristor parameter returns the map a typical bifurcation. Finally, a hardware experiment based on STM32 is carried out by verifying the theoretical finding. To the best of our knowledge, the memristor-type chaotic mapping has not been previously reported.
A mathematical model of reward-mediated learning in drug addiction
Authors: Chou Tom , D’Orsogna Maria R.
Published: February 2022

Substances of abuse are known to activate and disrupt neuronal circuits in the brain reward system. We propose a simple and easily interpretable dynamical systems model to describe the neurobiology of drug addiction that incorporates the psychiatric concepts of reward prediction error, drug-induced incentive salience, and opponent process theory. Drug-induced dopamine releases activate a biphasic reward response with pleasurable, positive “a-processes” (euphoria, rush) followed by unpleasant, negative “b-processes” (cravings, withdrawal). Neuroadaptive processes triggered by successive intakes enhance the negative component of the reward response, which the user compensates for by increasing drug dose and/or intake frequency. This positive feedback between physiological changes and drug self-administration leads to habituation, tolerance, and, eventually, to full addiction. Our model gives rise to qualitatively different pathways to addiction that can represent a diverse set of user profiles (genetics, age) and drug potencies. We find that users who have, or neuroadaptively develop, a strong b-process response to drug consumption are most at risk for addiction. Finally, we include possible mechanisms to mitigate withdrawal symptoms, such as through the use of methadone or other auxiliary drugs used in detoxification.
Study of t-ZrO2: Eu3+nanophosphor obtained by laser vaporisation using a cw CO2laser
Authors: Kostyukov A.I. , Nashivochnikov A.A. , Snytnikov Vl.N. , Rakhmanova M.I. , Snytnikov V.N.
Published: February 2022

ZrO2: Eu3+nanophosphor has been fabricated by vaporisation of a ceramic target of specified composition using a CO2laser, with subsequent vapour condensation in an argon flow. Nanoparticles with spherical morphology have been synthesised at a pressure of 0.1 atm. Thet-ZrO2phase is found to be dominant (98 %). According to the transmission electron microscopy data, the nanoparticle size is 10 ± 4 nm. The luminescence properties of fabricated nanoparticles have been studied. It is shown that the strong red luminescence of the samples is mainly due to the bands peaking at 591 and 606 nm, which are related, respectively, to the5D0→7F1and5D0→7F2transitions of Eu3+ion in thet-ZrO2structure. It is shown also that europium is uniformly distributed over the ZrO2matrix during laser synthesis. A comparative study of thet-ZrO2: Eu3+nanophosphor and the initial coarse-grained target has been performed. It is concluded that the proposed method of laser vaporisation is promising for synthesisingt-ZrO2-based nanophosphors.
Vertical stacks of pulsed (100 ns) mesa-stripe semiconductor lasers with an ultra-wide (800 μm) aperture emitting kilowatt-level peak power at a wavelength of 1060 nm
Authors: Slipchenko S.O. , Podoskin A.A. , Veselov D.A. , Efremov L.S. , Zolotarev V.V. , Kazakova A.E. , Kop’ev P.S. , Pikhtin N.A.
Published: February 2022

A pulsed source of radiation in the spectral region of 1060 nm with a kilowatt level peak output power is developed based on a vertical stack of microbars of stripe semiconductor lasers with an ultra-wide (800 μm) aperture. The laser stack contains three microbars with three emitters each, which ensures an emitting area of 2.6 × 0.4 mm. The highest radiative efficiency of the stack is 2.48 W A−1. The maximum achieved peak power reached 1400 W under pumping by current pulses with an amplitude of 650 A and a duration of 100 ns and is limited by the current source capacity.