bluuebunny/crossref_metadata_2025 huggingface dataset:
Discovery of unexpectedly complex reaction pathways for the Knorr pyrazole synthesis via transient flow
Authors: Schrecker Linden , Dickhaut Joachim , Holtze Christian , Staehle Philipp , Vranceanu Marcel , Hellgardt Klaus , Hii King Kuok (Mimi)
Published: September 2022

Kinetic data for the Knorr pyrazole synthesis were acquired using transient flow methods, including a novel reactant stoichiometry ramping method, providing new insights into the mechanism, including autocatalysis and an unexpected intermediate.
Coordination polymer-forming liquid Cu(2-isopropylimidazolate)
Authors: Watcharatpong Teerat , Pila Taweesak , Maihom Thana , Ogawa Tomohiro , Kurihara Takuya , Ohara Koji , Inoue Tadashi , Tabe Hiroyasu , Wei Yong-Sheng , Kongpatpanich Kanokwan , Horike Satoshi
Published: September 2022

The melt state of coordination polymer crystals is composed of macromolecular-chain assemblies without coordination bond breaking. The coordination-polymer-forming liquid provides various morphologies, including spun fibers.
Conversion of Organosolv and Kraft lignins into value-added compounds assisted by an acidic deep eutectic solvent
Authors: Sosa Filipe H. B. , Bjelić Ana , Coutinho João A. P. , Costa Mariana C. , Likozar Blaž , Jasiukaitytė-Grojzdek Edita , Grilc Miha , da Costa Lopes Andre M.
Published: September 2022

The valorisation of technical lignins by conversion is herein demonstrated using an acidic deep eutectic solvent in the absence or presence of a co-catalyst (H2SO4 or H2O2).
A solution-processable and highly flexible conductor of a fluoroelastomer FKM and carbon nanotubes with tuned electrical conductivity and mechanical performance
Authors: Shajari Shaghayegh , Rajabian Mahmoud , Kamkar Milad , Sudak Les Jozef , Sundararaj Uttandaraman
Published: September 2022

A highly flexible and mechanically robust, and solution processable conductor was developed with well-dispersed carbon nanotubes (CNTs) in fluoroelastomer FKM.
Heterointerface enhanced NiFe LDH/V–Co4N electrocatalysts for the oxygen evolution reaction
Authors: Zhang Shuya , Wang Lan , Xie Tianzhu , Chen Qiming , Peng Wenchao , Li Yang , Zhang Fengbao , Fan Xiaobin
Published: September 2022

The obtained NiFe LDH/V–Co4N@NF shows strong electronic interaction at the heterointerface, which remarkably boosts its OER performance.
Electronic structure engineering for electrochemical water oxidation
Authors: Babar Pravin , Mahmood Javeed , Maligal-Ganesh Raghu V , Kim Seok-Jin , Xue Zhonghua , Yavuz Cafer T.
Published: September 2022

Strategies for regulating the electronic structure of transition-metal-based electrocatalysts through doping, heterostructure, oxygen vacancies, alloy, and strain engineering are investigated.
Stabilizing black-phase FAPbI3in humid air with secondary ammoniums
Authors: Lu Ruixue , Liu Yang , Zhao Dongyuan , Guo Xin , Li Can
Published: September 2022

Three secondary ammoniums (SAs) were applied to stabilize α-FAPbI3under high humidity. Substituent-dependent distributions and functions of SAs in FAPbI3films were investigated. A photovoltaic efficiency of 23.38% with high stability was achieved.
The Mott–Schottky heterojunction MoC@NG@ZIS with enhanced kinetic response for promoting photocatalytic hydrogen production
Authors: Tan Mengxi , Yu Chengye , Luan Qingjie , Liu Chuanbao , Dong Wenjun , Su Yanjing , Qiao Lijie , Gao Lei , Lu Qipeng , Bai Yang
Published: September 2022

The Mott–Schottky heterojunction MoC@NG@ZIS exhibits an excellent photocatalytic hydrogen evolution performance of 32.96 mmol g−1 h−1 with great stability. The enhanced charge and reaction kinetics explain the remarkable photocatalytic activity.
Biocompatible non-leachable antimicrobial polymers with a nonionic hyperbranched backbone and phenolic terminal units
Authors: Arza Carlos R. , Li Xiaoya , İlk Sedef , Liu Yang , Demircan Deniz , Zhang Baozhong
Published: September 2022

Nonionic hyperbranched polymers with phenolic terminal units were synthesized, which are non-leachable, non-cytotoxic, and show significant antibacterial effect.
A bivalent aptamer and terminus-free siRNA junction nanostructure for targeted gene silencing in cancer cells
Authors: Yang Fang , Li Shunmei , Yuan Ruo , Xiang Yun
Published: September 2022

Specific and efficient gene silencing in cancer cells is achieved by a bivalent aptamer and terminus-free siRNA junction.
Synthesis and electronic properties of bridged [8]-, [12]- and [16]-cyclo-para-phenylenes
Authors: Lucas Fabien , Rault-Berthelot Joëlle , Quinton Cassandre , Poriel Cyril
Published: September 2022

Hoop-shaped π-conjugated macrocycles constitute a new family of π-conjugated systems displaying unique properties induced by their radially directed π-orbitals.
3D printable conductive ionic hydrogels with self-adhesion performance for strain sensing
Authors: Zhang Xiaoqin , Lin Shunshun , Zhang Liqiang , Guo Rui , Lu Yaozhong , Liu Sen , Su Zhiyong , Ji Zhongying , Wang Xiaolong
Published: September 2022

Ionically conductive double network hydrogel is proposed and used as strain sensors to monitor various motions of human body.
Visualizing transport in thiazole flanked isoindigo-based donor–acceptor polymer field-effect transistors
Authors: Barron John , Attar Salahuddin , Bhattacharya Payal , Yu Ping , Al-Hashimi Mohammed , Guha Suchismita
Published: September 2022

Replacing S with Se in fluorinated isoindigo (IID) copolymers enhances charge transport properties in field-effect transistors (FET). Nonlinear optical imaging from IID FETs helps visualize transport.
Emergent superconductivity in K2ReH9 under pressure
Authors: Zhao Yaping , Zhang Xiaohua , Li Xing , Ding Shicong , Liu Yong , Yang Guochun
Published: September 2022

The P63/mcm K2ReH9, arising from the rotation of hydrogen triangles in Pmma phase, exhibits a high-temperature superconductivity under pressure.
Aligned chromophores in a host–guest MOF crystal for switchable polarized nonlinear optical response
Authors: Zhang Lin , Li Hongjun , Yang Yu , Yang Deren , Cui Yuanjing , Qian Guodong
Published: September 2022

By preparing a host–guest MOF to elaborately arrange donor–acceptor ligand and dye guests, second-harmonic generation and two-photon-pumped lasing can be switched in a MOF crystal by orthogonally manipulating the excitation polarization direction.
Next-generation sequencing of Tunisian Leigh syndrome patients reveals novel variations: impact for diagnosis and treatment
Authors: Hechmi Meriem , Charif Majida , Kraoua Ichraf , Fassatoui Meriem , Dallali Hamza , Desquiret-Dumas Valerie , Bris Céline , Goudenège David , Drissi Cyrine , Galaï Saïd , Ouerhani Slah , Procaccio Vincent , Amati-Bonneau Patrizia , Abdelhak Sonia , Ben Youssef-Turki Ilhem , Lenaers Guy , Kefi Rym
Published: September 2022

Mitochondrial cytopathies, among which the Leigh syndrome (LS), are caused by variants either in the mitochondrial or the nuclear genome, affecting the oxidative phosphorylation process. The aim of the present study consisted in defining the molecular diagnosis of a group of Tunisian patients with LS.

Six children, belonging to five Tunisian families, with clinical and imaging presentations suggestive of LS were recruited. Whole mitochondrial DNA and targeted next-generation sequencing of a panel of 281 nuclear genes involved in mitochondrial physiology were performed. Bioinformatic analyses were achieved in order to identify deleterious variations.

A single m.10197G>A (p.Ala47Thr) variant was found in the mitochondrial MT-ND3 gene in one patient, while the others were related to autosomal homozygous variants: two c.1412delA (p.Gln471ArgfsTer42) and c.1264A>G (p.Thr422Ala) in SLC19A3, one c.454C>G (p.Pro152Ala) in SLC25A19 and one c.122G>A (p.Gly41Asp) in ETHE1.

Our findings demonstrate the usefulness of genomic investigations to improve LS diagnosis in consanguineous populations and further allow for treating the patients harboring variants in SLC19A3 and SLC25A19 that contribute to thiamine transport, by thiamine and biotin supplementation. Considering the Tunisian genetic background, the newly identified variants could be screened in patients with similar clinical presentation in related populations.
Comprehensive analysis of DTYMK in pan-cancer and verification in lung adenocarcinoma
Authors: Zhang Yue , Wang Hao , Liu Ying , Yang Jing , Zuo Xiaoxiao , Dong Meilian , Zhang Zhigang , Shi Yonggang , Deng Xubin , Lv Yaoyong
Published: September 2022

Previous documents have reported that the deoxythymidylate kinase (DTYMK) genes were involved in the progression of cancers. However, its significance in the analysis of pan-cancer and specific molecular mechanism were still poorly understood. In the present study, we conducted a comprehensive study of the DTYMK gene associated with its clinical relevance across a broad-spectrum of human tumors. In addition, association among DTYMK gene and tumor immunogenic features was also explored. Considering the results of pan-cancer analysis, the specific tumor lung adenocarcinoma (LUAD) was chosen to further study the DTYMK-induced signaling pathways and intercellular communications in tumor progression. Our findings demonstrated that DTYMK may be a new biomarker for the prognosis and immunotherapy in various cancers. Importantly, DTYMK was expected to be a guiding marker gene for clinical prognosis and tumor personalized therapy in LUAD.
Effects of antibiotics on bacterial cell morphology and their physiological origins
Authors: Cylke Callaghan , Si Fangwei , Banerjee Shiladitya
Published: September 2022

Characterizing the physiological response of bacterial cells to antibiotic treatment is crucial for the design of antibacterial therapies and for understanding the mechanisms of antibiotic resistance. While the effects of antibiotics are commonly characterized by their minimum inhibitory concentrations or the minimum bactericidal concentrations, the effects of antibiotics on cell morphology and physiology are less well characterized. Recent technological advances in single-cell studies of bacterial physiology have revealed how different antibiotic drugs affect the physiological state of the cell, including growth rate, cell size and shape, and macromolecular composition. Here, we review recent quantitative studies on bacterial physiology that characterize the effects of antibiotics on bacterial cell morphology and physiological parameters. In particular, we present quantitative data on how different antibiotic targets modulate cellular shape metrics including surface area, volume, surface-to-volume ratio, and the aspect ratio. Using recently developed quantitative models, we relate cell shape changes to alterations in the physiological state of the cell, characterized by changes in the rates of cell growth, protein synthesis and proteome composition. Our analysis suggests that antibiotics induce distinct morphological changes depending on their cellular targets, which may have important implications for the regulation of cellular fitness under stress.
Bitcoin transactions as a graph
Authors: Di Zhensheng , Wang Guan , Jia Lili , Chen Zhuoyi
Published: September 2022

Nowadays, blockchain is an upcoming area for researchers from different research fields. Bitcoin, as the first successful cryptocurrency, has accumulated numerous data after its existence. Here, the Bitcoin transaction graph from a graph theory perspective is investigated with more available data given now. This paper mainly focuses on the transaction graph and provides researchers with both practical and theoretical sides of the data. Several existent measurements and some newer ones are first computed and analysed. These measurements help to interpret the transaction graph more extensively. A new modified Buckley–Osthus random graph model is proposed, and a simulation of the Chung–Lu model is attempted to represent the Bitcoin transaction network. Some suggestions are given to improve the modified Buckley–Osthus model and point out the pros and cons of these random graph models. Moreover, the experiments show that scale‐free networks are fundamentally not a good model for Bitcoin transaction networks considering all the data, but the mechanics of preferential attachment is crucial. How to proceed with Bitcoin transaction graph theory from both theoretical and experimental perspectives for future studies is also discussed and analysed.
Precise motion compensation method in terahertz ISAR imaging based on sharpness maximization
Authors: Wang Hetong , Yang Qi , Wang Hongqiang , Deng Bin
Published: September 2022

According to the characteristics of the manoeuvring targets and the superiorities of Terahertz Inverse Synthetic Aperture Radar (THz‐ISAR), a precise motion compensation method based on image sharpness maximization for manoeuvring targets in the terahertz radar was proposed in this letter. Computational efficiency and compensation accuracy are improved by modified Newton's method. Then a 330‐GHz imaging radar and an experiment on a corner reflector were introduced. The validity of the method was verified, by the experimental results, to be promising in THz‐ISAR imaging of manoeuvring targets.
Joint radar communication system design based on filter bank multicarrier modulation scheme
Authors: Liu Gaogao , Yang Wenbo , Bao Yuqian , Wang Youming , Li Peng , He Zi'ang
Published: September 2022

Since orthogonal frequency division multiplexing (OFDM) signals are sensitive to Doppler shift, OFDM signals with cyclic prefix (CP) not only reduce the communication rate but also result in symmetric pseudo peaks in the ambiguity function of the radar, which eventually lead to the degradation of the performance of the joint radar communication system (JRCS). In this study, a novel JRCS is proposed based on the filter bank multicarrier (FBMC) waveform for the inverse synthetic aperture radar (ISAR) imaging and communication system. On the one hand, FBMC waveforms are capable of low orthogonality between subcarriers, which can counter Doppler and multipath effects. On the other hand, FBMC waveforms do not require CP, so the false targets can be avoided and spectral efficiency can be improved. The influence of multipath effect and Doppler shift on FBMC waveform in an integrated system is analysed in detail, and a Doppler compensation algorithm suitable for FBMC‐integrated waveform is proposed. The phase error caused by target motion can be iteratively compensated to obtain a well‐focussed ISAR image. Finally, considering the ISAR image entropy after motion compensation as the evaluation metric, extensive simulation experiments verify the noise robustness and effectiveness of the proposed algorithm. Compared with the conventional OFDM and CP‐OFDM schemes, the simulation verifies that the proposed waveform design and processing method has better performance in the ISAR imaging and communication integrated system.
Low-temperature optical constants of amorphous silicate dust analogues
Authors: Demyk K. , Gromov V. , Meny C. , Ysard N. , Paradis D. , Jones A. P. , Petitprez D. , Hubert P. , Leroux H. , Nayral C. , Delpech F.
Published: September 2022

Context. Cosmic dust models are key ingredients in advancing our understanding of astronomical environments as diverse as interstellar clouds in galaxies, circumstellar envelopes around evolved and young stars, and protoplanetary disks. Such models consist of several dust populations, each with different compositions and size distributions. They may also consider different grain shapes, although most models assume spherical grains. All include a component of silicate dust. The absorption and emission properties of these dust components are calculated from the optical constants of each dust material which have various experimental, phenomenological, and theoretical origins depending on the model.

Aims. We aim to provide the community with new sets of optical constants for amorphous silicate dust analogues at low temperatures. The analogues consist of four Mg-rich silicate samples of stoichiometry ranging from enstatite to olivine, and of eight samples of Mg- and Fe-rich silicates with a pyroxene stoichiometry and differing magnesium and iron content.

Methods. We calculated the optical constants from transmission measurements using the Kramers-Kronig relations, assuming that the grains are small compared to the wavelength and prolate in shape with axis ratios of 1.5 and 2 for the Mg- and Fe-rich samples, respectively.

Results. New optical constants for silicate dust analogues of various compositions were calculated over the wavelength range from 5 to 800 µm or 1000 µm, depending on the sample, and at temperatures of 10, 30, 100, 200, and 300 K. We determined the uncertainties on the derived optical constants based on the assumptions used to calculate them. To facilitate the use of these data in cosmic dust models, we provide optical constants extrapolated outside the measured spectral range into the ultraviolet(UV)/visual(VIS)/near-infrared(NIR) and millimetre and centimetre wavelength ranges, as well as formulae that can be used to interpolate the optical constants at any temperature in the range 10–300 K.
Nucleosynthetic yields of intermediate-mass primordial to extremely metal-poor stars
Authors: Gil-Pons P. , Doherty C. L. , Campbell S. W. , Gutiérrez J.
Published: September 2022

Context.Stellar models and nucleosynthetic yields of primordial to extremely metal-poor (EMP) stars are crucial to interpret the surface abundances of the most metal-poor stars observed and, ultimately, to better understand the earliest stellar populations. In addition, they are key ingredients of Galactic chemical evolution models.

Aims.We aim to better characterise the evolution and fates, and determine updated nucleosynthetic yields of intermediate-mass stars between primordial and EMP metallicity (Z = 10−10, 10−8, 10−7, 10−6, and 10−5). We also probed uncertainties in the nucleosynthesis of the oldest intermediate-mass stars, namely those related to the treatment of convection and convective boundaries and those related to wind prescriptions during the asymptotic giant branch (AGB) phase.

Methods.We analyse the evolution of models from their main sequence, through the thermally pulsing AGB (TP-AGB), to the latest stages of their evolution, using the Monash-Mount Stromlo stellar evolution codeMONSTAR. The results were post-processed with the codeMONSOON, which allowed for the determination of the nucleosynthetic yields of 77 species up to62Ni. By comparing them to similar calculations existing in the literature, we inspected the effects of input physics on the nucleosynthesis of EMP models.

Results.From the evolutionary point of view, as reported in former works, we identified proton ingestion episodes (PIEs) in our lowest-mass lowest-metallicity models. Models ofZ = 10−10andZ = 10−8in a narrow initial mass range around 5M⊙experience the cessation of thermal pulses, and their final fates as type-I1/2 supernovae cannot be discarded. However, the initial mass range of models eventually leading to the formation of type-I1/2 and electron-capture supernovae is considerably reduced compared to former works. All the models of initial mass ≳6–7M⊙experience a corrosive second dredge-up and, analogously to those experiencing PIEs, undergo significant metal enrichment in their envelopes. The associated increase in their opacities allows them to develop a solar-like TP-AGB or TP-super-AGB, ultimately becoming white dwarfs. Except for those undergoing the cessation of thermal pulses, all of our models show the nucleosynthetic signatures of both efficient third dredge-up and hot-bottom burning, with the activation of the NeNa cycle and the MgAlSi chains. This leads to the creation of vast amounts of CNO, with typical [N/Fe] > 4), and the characteristic abundance signature [N/Fe] > [C/Fe] > [O/Fe]. Our nucleosynthetic yields present dramatic differences with respect to recent results existing in the literature for intermediate-mass models of similar metallicities. The reason for these discrepancies lay in the poorly known input physics related to stellar winds and, above all, the treatment of convection and convective boundaries.
Controllability of a Stokes system with a diffusive boundary condition
Authors: Buffe Rémi , Takahashi Takéo
Published: September 2022

We are interested by the controllability of a fluid-structure interaction system where the fluid is viscous and incompressible and where the structure is elastic and located on a part of the boundary of the fluid domain. In this article, we simplify this system by considering a linearization and by replacing the wave/plate equation for the structure by a heat equation. We show that the corresponding system coupling the Stokes equations with a heat equation at its boundary is null-controllable. The proof is based on Carleman estimates and interpolation inequalities. One of the Carleman estimates corresponds to the case of Ventcel boundary conditions. This work can be seen as a first step to handle the real system where the structure is modeled by the wave or the plate equation.
Phase transformation model for adjusting the cooling conditions in Stelmor process to obtain the targeted structure of thermomechanically rolled wire rod used for fastener production
Authors: Piwowarczyk Michal , Wolańska Natalia , Pietrzyk Maciej , Rauch Lukasz , Kuziak Roman , Zalecki Wladyslaw
Published: September 2022

The paper demonstrates the capability of the developed phase transformation model to design the cooling conditions in the Stelmor process allowing for obtaining different types of microstructures in wire rod of 32CrB4 steel. The model based on modified JMAK equation was developed using the results of the tests conducted in a DIL 805 A/D/T dilatometer. The model is composed of sub-models of ferritic, pearlitic, bainitic and martensitic transformations. Its predictive capability was confirmed in industrial conditions by performing trials with different settings of fans involved in the cooling process on the Stelmor line of CMC Poland. Excellent performance of the model was achieved through the modification of commonly used equations which allows accurate predictions of the phase transformations start and finish temperatures, as well as volume fraction of microstructural constituents, in a wide range of cooling rates. It was demonstrated that the model can effectively be applied to design the cooling conditions in the Stelmor process, which will result in the required microstructural composition of the wire rod.
Schistosoma mansoni phosphoglycerate mutase: a glycolytic ectoenzyme with thrombolytic potential
Authors: Pirovich David B. , Da’dara Akram A. , Skelly Patrick J.
Published: September 2022

Schistosomiasis is a debilitating parasitic disease caused by intravascular flatworms called schistosomes (blood flukes) that affects >200 million people worldwide. Proteomic analysis has revealed the surprising presence of classical glycolytic enzymes – typically cytosolic proteins – located on the extracellular surface of the parasite tegument (skin). Immunolocalization experiments show that phosphoglycerate mutase (PGM) is widely expressed in parasite tissues and is highly expressed in the tegument. We demonstrate that live Schistosoma mansoni parasites express enzymatically active PGM on their tegumental surface. Suppression of PGM using RNA interference (RNAi) diminishes S. mansoni PGM (SmPGM) gene expression, protein levels, and surface enzyme activity. Sequence comparisons place SmPGM in the cofactor (2,3-bisphosphoglycerate)-dependent PGM (dPGM) family. We have produced recombinant SmPGM (rSmPGM) in an enzymatically active form in Escherichia coli. The Michaelis-Menten constant (Km) of rSmPGM for its glycolytic substrate (3-phosphoglycerate) is 0.85 mM ± 0.02. rSmPGM activity is inhibited by the dPGM-specific inhibitor vanadate. Here, we show that rSmPGM not only binds to plasminogen but also promotes its conversion to an active form (plasmin) in vitro. This supports the hypothesis that host-interactive tegumental proteins (such as SmPGM), by enhancing plasmin formation, may help degrade blood clots around the worms in the vascular microenvironment and thus promote parasite survival in vivo.
Ordnungssysteme für endoskopische Eingriffe
Authors: Beilenhoff Ulrike , Jordt Nicole
Published: September 2022

Im Rahmen von endoskopischen Eingriffen kommt umfangreiches Equipment zum Einsatz.
Dazu zählen endoskopiespezifische Großgeräte und
Zusatzinstrumente, das Monitoring zur Vitalzeichenkontrolle sowie ggf.
Narkoseeinheiten und Röntgenanlagen. In der Regel sind die
endoskopiespezifischen Großgeräte, wie Lichtquellen, Prozessoren,
Absauger, Monitore oder HF-Gerät, auf mobilen Funktionswägen oder
auf schwenkbaren Deckenstativen montiert. Beide Optionen bieten wenig bis keine
Ablagemöglichkeiten für das flexible Zusatzinstrumentarium, das je
nach Eingriff sehr umfangreich sein kann.
An Efficient One-Pot Synthesis of 1-Aminophosphonates
Authors: Kaboudin Babak , Faghih Samaneh , Alavi Sajedeh , Naimi-Jamal Mohammad Reza , Fattahi Alireza
Published: September 2022

1-Aminophosphonates are valuable compounds with wide range of applications in biological and industry. Various reaction conditions and catalysts have been reported for the synthesis of 1-aminophosphonates via three-component (dialkyl phosphite + aldehyde + amine) or two-component reaction (dialkyl phosphite + imine). Here a solvent-free synthesis of 1-aminophosphonates under very mild reaction conditions is reported. The three-component condensation reactions of dialkyl phosphite, carbonyl compound, and an amine gave 1-aminophosphonates in good to excellent yields under solvent- and catalyst-free conditions at ambient temperature. Hydrophosphorylation of imines in the presence of dialkyl phosphite under the same conditions gave also 1-aminophosphonates in good to excellent yields. These results showed that the reaction needs no catalyst or solvent for activation. It seems a tautomeric form of dialkyl phosphite (as one of the components) catalyzed the reaction. The reaction yield decreased using any solvent. In addition, a novel method is reported for the synthesis of N-deprotected 1-aminophosphonates (analogues of 1-amino acids) from N-PMP 1-aminophosphonate in the presence of TCCA. To understand the activity of the dialkyl phosphite under solvent-free conditions, the DFT calculations have provided insight into the basis of this activity.
The Efficacy of Curcumin Patch as an Adjuvant Therapeutic Agent in Managing Acute Orofacial Pain on the Post-Cleft Lip and Cleft Palate Surgery Patients: A Pragmatic Trial
Authors: Maulina Tantry , Purnomo Yohanes Yoppy , Tasman Salshabia Gabrielle Raissa , Sjamsudin Endang , Amaliya Amaliya
Published: September 2022

Objective Acute pain is one of the most common pains experienced by post-cleft lip or cleft surgery patients regardless of the administration of analgesic agents. This current study aimed to evaluate the efficacy of a curcumin patch as an adjuvant analgesic agent on the post-cleft lip and cleft palate surgery patients.

Materials and Methods Fifty-five (33 male; 22 female) participants aged 36 months or less are recruited in this pragmatic trial and randomly assigned to a control group, where no curcumin patch was applied; or the experimental group, where the participants wore a curcumin patch with a dosage of 100 mg. All participants (regardless of the group) received a standardized postsurgery analgesic agent immediately after the surgery was completed. A face, leg, activity, cry, and consolability (FLACC) scale was used to evaluate pain levels for three subsequent time points.

Statistical Analysis All data were then analyzed by using the Mann–Whitney U test to compare the mean differences between the two groups.

Results The results of the current study revealed that there was no significant difference found between the control and the experimental group when mean pain scores were compared for the first evaluation time. Yet, there was a significant difference (p < 0.01) between the two groups' mean pain scores on the second evaluation time.

Conclusion Curcumin patch was found to be effective when used as an adjuvant analgesic agent to reduce acute-orofacial postsurgery pain in cleft lip and cleft surgery patients.
Continuous versus Bolus Gastric Tube Feeding in Very Low Birth Weight Infants Supported with Noninvasive Respiratory Support: A Randomized, Pilot Study
Authors: Borenstein-Levin Liron , Riskin Arieh , Hochwald Ori , Timstut Fanny , Sendler Sofia , Shoris Irit , Littner Yoav , Dinur Gil , Kugelman Amir
Published: September 2022

Objectives This study aimed to compare time to full feeding (TFF) between continuous gastric feeding (CGF) and bolus feeding (BF) in very low birth weight (VLBW) infants supported with noninvasive ventilation (NIV) and to evaluate feasibility and identify methodological pitfalls for future large-scale studies.

Study Design This study is a randomized controlled, prospective, pilot study. VLBW premature infants, supported with NIV, were randomized while still on trophic feeding <20 mL/kg/day to receive feeding over 2 hours of CGF or over 15- to 30-minute BF. The primary outcome was TFF. Analysis was done by intention to treat.

Results Overall, 32 infants were included in this analysis, 17 in the CGF group and 15 in the BF group. Infants in the CGF group were significantly younger than the BF group (mean ± standard deviation [SD] gestational age [GA] 26.9 ± 1.2 vs. 28.9 ± 1.5 weeks, respectively). TFF was comparable with median (interquartile range [IQR]) for the two groups, 10.0 (10.0, 19.0) days in the BF group versus 12.0 (9.0, 13.0) days in the CGF group (p = 0.59). Feeding length was not found to significantly affect TFF in multivariate analysis correcting for GA. Groups were comparable in weight gain, gastrointestinal complications, length of NIV, bronchopulmonary dysplasia incidence, and age at discharge. Most infants from both groups (60% of BF and 70% of CGF) required changes in feeding length.

Conclusion In this pilot study, among VLBW infants supported with NIV, TFF was comparable between the BF and CGF groups. These results should be interpreted with caution due to the small sample size and despite the multivariate analysis correcting for the different GA. Interestingly, most infants required changes in feeding length regardless of their allocation. This feasibility study emphasizes the need for careful attention to randomization and strict feeding protocols including criteria for switching allocation in future large-scale studies aimed at determining the preferred feeding length during NIV in VLBW infants.

Key Points
Polycystic Ovary Syndrome in Adolescence
Authors: Joham Anju E. , Peña Alexia S.
Published: September 2022

Polycystic ovary syndrome (PCOS) is a common, complex, and chronic condition that presents many diagnostic and management challenges for managing clinicians. PCOS diagnosis in adolescents presents a particular challenge for treating clinicians due to the overlap of diagnostic features with normal physiological changes during adolescence. Adolescent diagnostic criteria include well-defined menstrual irregularity according to time postmenarche and hyperandrogenism, but does not require the use of pelvic ultrasound. Adolescents with only one criterion should be considered at risk of PCOS and be followed up around transition to adult care. While PCOS was traditionally considered to be a reproductive disorder, PCOS is now recognized to have major metabolic and cardiovascular health consequences and psychological sequelae that can be present from adolescence. Management of PCOS includes healthy lifestyle, metformin, combined oral contraceptive pill, and/or antiandrogens according to symptoms of concern even in adolescents at risk of PCOS.
A compact rotary magnetic tweezers device for dynamic material analysis
Authors: Berezney John P. , Valentine Megan T.
Published: September 2022

Here we present a new, compact magnetic tweezers design that enables precise application of a wide range of dynamic forces to soft materials without the need to raise or lower the magnet height above the sample. This is achieved through the controlled rotation of the permanent magnet array with respect to the fixed symmetry axis defined by a custom-built iron yoke. These design improvements increase the portability of the device and can be implemented within existing microscope setups without the need for extensive modification of the sample holders or light path. This device is particularly well-suited to active microrheology measurements using either creep analysis, in which a step force is applied to a micron-sized magnetic particle that is embedded in a complex fluid, or oscillatory microrheology, in which the particle is driven with a periodic waveform of controlled amplitude and frequency. In both cases, the motions of the particle are measured and analyzed to determine the local dynamic mechanical properties of the material.
Interface effect of Fe and Fe2O3 on the distributions of ion induced defects
Authors: Kim Hyosim , Chancey Matthew R. , Chung Thaihang , Brackenbury Ian , Liedke Maciej O. , Butterling Maik , Hirschmann Eric , Wagner Andreas , Baldwin Jon K. , Derby Ben K. , Li Nan , Yano Kayla H. , Edwards Danny J. , Wang Yongqiang , Selim Farida A.
Published: September 2022

The stability of structural materials in extreme nuclear reactor environments—with high temperature, high radiation, and corrosive media—directly affects the lifespan of the reactor. In such extreme environments, an oxide layer on the metal surface acts as a passive layer protecting the metal underneath from corrosion. To predict the irradiation effect on the metal layer in these metal/oxide bilayers, nondestructive depth-resolved positron annihilation lifetime spectroscopy (PALS) and complementary transmission electron microscopy (TEM) were used to investigate small-scale defects created by ion irradiation in an epitaxially grown (100) Fe film capped with a 50 nm Fe2O3 oxide layer. In this study, the evolution of induced vacancies was monitored, from individual vacancy formation at low doses—10−5 dpa—to larger vacancy cluster formation at increasing doses, showing the sensitivity of positron annihilation spectroscopy technique. Furthermore, PALS measurements reveal how the presence of a metal–oxide interface modifies the distribution of point defects induced by irradiation. TEM measurements show that irradiation induced dislocations at the interface is the mechanism behind the redistribution of point defects causing their accumulation close to the interface. This work demonstrates that the passive oxide layers formed during corrosion impact the distribution and accumulation of radiation induced defects in the metal underneath and emphasizes that the synergistic impact of radiation and corrosion will differ from their individual impacts.
Experimental investigation on the evolution of vacuum arc in the quench protection switch based on forced current zero
Authors: Shi Zongqian , Lv Xinkun , Guo Jing , Li Sheng , Mo Yongpeng , Sun Jiajia
Published: September 2022

In this paper, the evolution of vacuum arc under different conditions in the quench protection switch (QPS) based on forced current zero was investigated experimentally and analyzed quantitatively. Experiments were conducted with cup-shaped axial magnetic field (AMF) contacts in a demountable vacuum chamber. Images of the arc column were photographed through the observation window with a high-speed digital camera with exposure time of 2 μs. Arc appearance was analyzed quantitatively through digital image processing. Quantified arc appearance and arc voltage characteristics indicated that the high-current vacuum arc evolution in the QPS could be divided into four stages: arc formation stage, arc column merging stage, diffusing stage, and fast extinguishing stage. The influence of AMF on the evolution of high-current vacuum arc in the diffusing stage was also studied. Experiment results indicated that the vacuum arc at relatively low current had a simpler evolution process and the arc column merging had less correlation with voltage stability. It was found that the vacuum arc with a long gap distance developed faster and the time required to enter the stable burning state was shorter. In addition, the vacuum arc with long arcing time tended to constrict again, which is not beneficial to current interruption.
Spectral proper orthogonal decomposition analysis of trailing edge cutback film cooling flow
Authors: Wang Ruiqin , He Xiao , Yan Xin
Published: September 2022

Spectral proper orthogonal decomposition (SPOD) is performed to identify the spatiotemporal coherent structures of trailing edge cutback film cooling flows. The analyzed data obtained from delayed-detached eddy simulation are validated against the experimental data first, followed by the extraction of SPOD modes and the reconstruction of flow fields using the SPOD modes. Results show that the flow topology of trailing edge cutback film cooling flows is mainly determined by the blowing ratio. At low blowing ratios, the vortex shedding phenomenon is captured by the first leading SPOD mode. Its mode shape corresponds to the bluff-body wake formation of the lip featured by spanwise coherent structures, which enhance the coolant–hot gas mixing process. At high blowing ratios, the vortex shedding phenomenon is represented by both the first and the second leading SPOD modes. In addition to the lip wake mode, the mode of the bluff-body wake formation of the coolant channel rib arises, whose mode shape is featured by transverse coherent structures. These structures enhance the mixing process between the coolant flows. As the blowing ratio increases, the dominating mode gradually transits from the lip wake mode to the rib wake mode. From the SPOD reconstruction study, the deterministic unsteadiness of vortex shedding is found to contribute to a substantial proportion of unsteady kinetic energy, especially at low blowing ratios. These findings help advance the understanding of trailing edge cutback film cooling flow.
Research on magneto-hydraulic proportional control strategy for single degree of freedom supporting system of magnetic–liquid double suspension bearing
Authors: Zhao Jianhua , Zhang Hanwen , Zhang Xuze , Li Shuang , Qin Bo , Han Fang
Published: September 2022

Compared with the traditional active electromagnetic bearing, the additional hydrostatic supporting concept is imported to form magnetic–liquid double suspension bearing (MLDSB) without affecting the support performance. Therefore, the bearing carrying capacity and stiffness are greatly increased and the operational stability and reliability of MLDSB are also improved. The controlling strategy and the regulating mode have the major impact on the safe and stable operation of MLDSB, which directly determines the performance quality. MLDSB adopts the magnetic–liquid coupling supporting mode with electromagnetic suspension as the main and hydrostatic supporting as the supplement, which greatly increases the complexity and difficulty of MLDSB. Therefore, the proportional control strategy and the magneto-hydraulic coupled nonlinear controller of MLDSB are explored in this paper. First, the regulation mechanism of the single degree of freedom (DOF) supporting system is revealed, and the proportional–integral–differential controller of the electromagnetic and hydrostatic closed-loop is designed. Then, the fuzzy control idea is introduced into the single DOF supporting system to design a magnetic–liquid variable proportional fuzzy controller, and the difference between the proportional/variable proportional control modes is compared. Finally, the rotor displacement following characteristics and anti-interference characteristics in the proportional/variable proportional control mode are compared on a magnetic–liquid double suspension test bench. The results show that compared with the proportional control method, the variable proportional control method combines the advantages of fast regulation speed of the electromagnetic system and the stable and reliable advantages of the hydrostatic system. In the same step signal, the rotor can achieve unbiased following under two control modes of proportional/variable proportion, and the adjustment time of the variable proportional control mode is shorter. In two control modes, the rotor can be restored to the original equilibrium position. The maximum offset under the variable proportional control mode is smaller, and with the continuous increase of the displacement, the performance of the variable proportional control method is more obvious. The stability control of MLDSB is provided on the theoretical basis in this article.
Theoretical analysis of the elastic free energy contributions to polymer brushes in poor solvent: A refined mean-field theory
Authors: Li Cheng-Wu , Romeis Dirk , Koch Markus , Merlitz Holger , Sommer Jens-Uwe
Published: September 2022

We consider polymer brushes in poor solvent that are grafted onto planar substrates and onto the internal and external surfaces of a cylinder using molecular dynamics simulation, self-consistent field (SCF), and mean-field theory. We derive a unified expression for the mean field free energy for the three geometrical classes. While for low grafting densities, the effect of chain elasticity can be neglected in poor solvent conditions, it becomes relevant at higher grafting densities and, in particular, for concave geometries. Based on the analysis of the end monomer distribution, we introduce an analytical term that describes the elasticity as a function of grafting density. The accuracy of the model is validated with molecular dynamics simulations as well as SCF computations and shown to yield precise values for the layer thickness over a wide range of system parameters. We further apply this model to analyze the gating behavior of switchable brushes inside nanochannels.
Vibrational levels of a generalized Morse potential
Authors: Qadeer Saad , Santis Garrett D. , Stinis Panos , Xantheas Sotiris S.
Published: September 2022

A Generalized Morse Potential (GMP) is an extension of the Morse Potential (MP) with an additional exponential term and an additional parameter that compensate for MP’s erroneous behavior in the long range part of the interaction potential. Because of the additional term and parameter, the vibrational levels of the GMP cannot be solved analytically, unlike the case for the MP. We present several numerical approaches for solving the vibrational problem of the GMP based on Galerkin methods, namely, the Laguerre Polynomial Method (LPM), the Symmetrized LPM, and the Polynomial Expansion Method (PEM), and apply them to the vibrational levels of the homonuclear diatomic molecules B2, O2, and F2, for which high level theoretical near full configuration interaction (CI) electronic ground state potential energy surfaces and experimentally measured vibrational levels have been reported. Overall, the LPM produces vibrational states for the GMP that are converged to within spectroscopic accuracy of 0.01 cm−1 in between 1 and 2 orders of magnitude faster and with much fewer basis functions/grid points than the Colbert–Miller Discrete Variable Representation (CN-DVR) method for the three homonuclear diatomic molecules examined in this study. A Python library that fits and solves the GMP and similar potentials can be downloaded from https://gitlab.com/gds001uw/generalized-morse-solver.
Study of fluid displacement in three-dimensional porous media with an improved multicomponent pseudopotential lattice Boltzmann method
Authors: Sedahmed M. , Coelho R. C. V. , Araújo N. A. M. , Wahba E. M. , Warda H. A.
Published: September 2022

We generalize a recently developed improved multicomponent pseudopotential lattice Boltzmann method in three dimensions and analyze its applicability to simulate flows through realistic porous media. The model is validated and characterized via benchmarks, and we investigate its performance by simulating the displacement of immiscible fluids in three-dimensional geometries. Two samples are considered, namely, a pack of spheres obtained numerically and a Bentheimer sandstone rock sample obtained experimentally. We show that with this model, it is possible to simulate realistic viscosity ratios, to tune surface tension independently, and, most importantly, to preserve the volume of trapped fluid. We also evaluate the computational performance of the model on the graphical processing unit and mention the implemented optimizations to increase the computational speed and reduce the memory requirements.
Atomistic characterization of the SiO2 high-density liquid/low-density liquid interface
Authors: Zhang Xin , Laird Brian B. , Liang Hongtao , Lu Wenliang , Yu Zhiyong , Ma Xiangming , Cheng Ya , Yang Yang
Published: September 2022

The equilibrium silica liquid–liquid interface between the high-density liquid (HDL) phase and the low-density liquid (LDL) phase is examined using molecular-dynamics simulation. The structure, thermodynamics, and dynamics within the interfacial region are characterized in detail and compared with previous studies on the liquid–liquid phase transition (LLPT) in bulk silica, as well as traditional crystal–melt interfaces. We find that the silica HDL–LDL interface exhibits a spatial fragile-to-strong transition across the interface. Calculations of dynamics properties reveal three types of dynamical heterogeneity hybridizing within the silica HDL–LDL interface. We also observe that as the interface is traversed from HDL to LDL, the Si/O coordination number ratio jumps to an unexpectedly large value, defining a thin region of the interface where HDL and LDL exhibit significant mixing. In addition, the LLPT phase coexistence is interpreted in the framework of the traditional thermodynamics of alloys and phase equilibria.
Extension of selected configuration interaction for transcorrelated methods
Authors: Ammar Abdallah , Scemama Anthony , Giner Emmanuel
Published: September 2022

In this work, we present an extension of popular selected configuration interaction (SCI) algorithms to the Transcorrelated (TC) framework. Although we used in this work the recently introduced one-parameter correlation factor [E. Giner, J. Chem. Phys. 154, 084119 (2021)], the theory presented here is valid for any correlation factor. Thanks to the formalization of the non-Hermitian TC eigenvalue problem as a search of stationary points for a specific functional depending on both left- and right-functions, we obtain a general framework, allowing for different choices for both the selection criterion in SCI and the second order perturbative correction to the energy. After numerical investigations on different second-row atomic and molecular systems in increasingly large basis sets, we found that taking into account the non-Hermitian character of the TC Hamiltonian in the selection criterion is mandatory to obtain a fast convergence of the TC energy. In addition, selection criteria based on either the first order coefficient or the second order energy lead to significantly different convergence rates, which is typically not the case in the usual Hermitian SCI. Regarding the convergence of the total second order perturbation energy, we find that the quality of the left-function used in the equations strongly affects the quality of the results. Within the near-optimal algorithm proposed here, we find that the SCI expansion in the TC framework converges faster than the usual SCI in terms of both the basis set and the number of Slater determinants.