bluuebunny/crossref_metadata_2025 huggingface dataset:
Fluorometric assay of cyanophoric pyrethroids based on benzothiazole modified carbon quantum dots
Authors: Wang Peng , Zhang Qiang , Liu Donghui , Zhou Zhiqiang , Wang Peng
Published: March 2023

A fluorometric assay based on benzothiazole carbon quantum dots (benzothiazole-CDs) was developed for the determination of cyanophoric pyrethroids (CPs, e.g., cypermethrin, deltamethrin and fenpropathrin).
meso-Carbazole decorated BODIPYs – an electron donor–acceptor system with excellent fluorosolvato/vapochromic behavior, aggregation-induced emission, and antileishmanial activity
Authors: Mathew Diana , Sasidharan Santanu , Saudagar Prakash , Sujatha Subramaniam , Parameswaran Pattiyil
Published: March 2023

meso-Carbazole BODIPY generates an electron donor–acceptor system with multiple photo responses and has excellent anti-leishmanial activity.
Near-infrared light-controlled kartogenin delivery of multifunctional Prussian blue nanocomposites for cartilage defect repair
Authors: Liu Zunhan , Luo Zhenyu , Yu Haoda , Zhao Enze , Guo Junfeng , Mou Ping , Chen Anjing , Chen Jiali , Zhou Zongke , Zeng Weinan
Published: March 2023

An NIR light-controlled KGN release delivery system based on PBNPs showed great prospect for the clinical treatment of cartilage repair.
Formal synthesis of cyclotheonellazole A
Authors: Long Bohua , Pu Liuyang , Liu Zhanyan , Zeng Xiaobin , Wu Zhengzhi
Published: March 2023

An efficient procedure for the formal synthesis of cyclotheonellazole A with high stereoselectivity has been developed on the gram scale.
Bimodal nanolatexes prepared via polymerization-induced self-assembly: losing control in a controlled manner
Authors: Alexakis Alexandros E. , Wilson Olivia R. , Malmström Eva
Published: March 2023

In this paper we demonstrate the potential advantages of reproducible bimodal nanolatexes prepared by the combination of reversible addition–fragmentation chain-transfer (RAFT) polymerization with polymerization-induced self-assembly (PISA).
Installation of the adamantyl group in polystyrene-block-poly(methyl methacrylate) via Friedel–Crafts alkylation to modulate the microphase-separated morphology and dimensions
Authors: Isono Takuya , Baba Ema , Tanaka Shunma , Miyagi Ken , Dazai Takahiro , Li Feng , Yamamoto Takuya , Tajima Kenji , Satoh Toshifumi
Published: March 2023

We present the polystyrene block post-polymerization modification of PS-b-PMMA through Friedel–Crafts alkylation with adamantanols to modulate its microphase-separated morphology and dimensions.
Optical performance analysis of InP nanostructures for photovoltaic applications
Authors: Saurabh Siddharth , Hossain M. Khalid , Singh Sadhna , Agnihotri Suneet Kumar , Samajdar D. P.
Published: March 2023

The optical performance of different indium phosphide (InP) nanostructures are investigated using Wave Optics Module of COMSOL Multiphysics. Our results indicate that InP based nanostructures outperform silicon based nanostructures.
Quantitative analysis of biosurfactants in water samples by a modified oil spreading technique
Authors: Li Haoshuai , Fang Chao , Liu Xinrui , Bao Kaiwen , Li Yang , Bao Mutai
Published: March 2023

The oil spreading technique relies on biosurfactant to reduce the surface tension of an oil film and form an oil spreading ring in the center, and then judges the content of biosurfactant according to the diameter of the spreading ring.
High-performance asymmetric supercapacitor based on a CdCO3/CdO/Co3O4 composite supported on Ni foam – part II: a three-electrode electrochemical study
Authors: Henríquez Rodrigo , Mestra-Acosta Alifhers S. , Grez Paula , Muñoz Eduardo , Sessarego Gustavo , Navarrete-Astorga Elena , Dalchiele Enrique A.
Published: March 2023

Schematic illustration of the two-step process involved in the preparation of the different chemical compounds supported on the nickel foam substrates.
Mechanoenzymatic reactions for the hydrolysis of PET
Authors: Ambrose-Dempster Esther , Leipold Leona , Dobrijevic Dragana , Bawn Maria , Carter Eve M. , Stojanovski Gorjan , Sheppard Tom D. , Jeffries Jack W. E. , Ward John M. , Hailes Helen C.
Published: March 2023

Mechanoenzymatic reactions are described for the degradation of different PET materials using whole cell PETases.
A wearable alternating current electroluminescent device based on imidazole chloride ionogel films with high conductivity, stretchability and transmittance
Authors: Zhang Gongman , Guo Yang , Fang Yongzheng , Chu Yaoqing , Liu Zhifu
Published: March 2023

Ionic gel is non-toxic and is suitable for the smart wearables field. The ionic gel has excellent stretchable performance, high ionic conductivity and high light transmission rate, showing well performance for ACEL devices with sandwich structures.
Photosynthesis in the near infrared: the γ subunit of Blastochloris viridis LH1 red-shifts absorption beyond 1000 nm
Authors: Hitchcock Andrew , Swainsbury David J.K. , Hunter C. Neil
Published: March 2023

The reaction centre (RC) in purple phototrophic bacteria is encircled by the primary light-harvesting complex 1 (LH1) antenna, forming the RC–LH1 ‘core’ complex. The Qy absorption maximum of LH1 complexes ranges from ∼875–960 nm in bacteriochlorophyll (BChl) a-utilising organisms, to 1018 nm in the BChl b-containing complex from Blastochloris (Blc.) viridis. The red-shifted absorption of the Blc. viridis LH1 was predicted to be due in part to the presence of the γ subunit unique to Blastochloris spp., which binds to the exterior of the complex and is proposed to increase packing and excitonic coupling of the BChl pigments. The study by Namoon et al. provides experimental evidence for the red-shifting role of the γ subunit and an evolutionary rationale for its incorporation into LH1. The authors show that cells producing RC–LH1 lacking the γ subunit absorb maximally at 972 nm, 46 nm to the blue of the wild-type organism. Wavelengths in the 900–1000 nm region of the solar spectrum transmit poorly through water, thus γ shifts absorption of LH1 to a region where photons have lower energy but are more abundant. Complementation of the mutant with a divergent copy of LH1γ resulted in an intermediate red shift, revealing the possibility of tuning LH1 absorption using engineered variants of this subunit. These findings provide new insights into photosynthesis in the lowest energy phototrophs and how the absorption properties of light-harvesting complexes are modified by the recruitment of additional subunits.
Energy efficient power allocation for ultra‐reliable and low‐latency communications via unsupervised learning
Authors: Zhao Haitao , Xu Bangning , Huang Hao , Wang Qin , Zhu Chun , Gui Guan
Published: March 2023

Energy efficiency (EE) is an important indicator in ultra‐reliable and low‐latency communication (URLLC). Power allocation is considered as an effective method to achieve high EE in URLLC. However, since the EE optimization problem is non‐convex, it is difficult to obtain the analytical solution efficiently. Moreover, to ensure reliable and low‐latency communication within a finite blocklength, the Shannon formula becomes impractical for URLLC. Therefore, finite blocklength coding theory is used to meet the requirements of URLLC. In this paper, the EE problem of URLLC is formulated and the power allocation function is parameterized to be optimized through a deep neural network (DNN). The DNN is trained through the primal‐dual iterative algorithm offline in the unsupervised manner, and can be deployed online to achieve real time power allocation results. The numerical results show the effectiveness of the proposed method.
Application of the extended bias factor method for highly reliable benchmark suite
Authors: Tokashiki Mikio , Ikehara Tadashi , Tada Kenichi , Egawa Tohru , Yokoyama Kenji , Iwamoto Osamu
Published: March 2023

It was tried to get useful information feedback on cross section and covariance by application of extended bias factor method with experimental benchmarks’ C/E, sensitivity coefficient and covariance data. As a result, it was succeeded to distinguish “the case unrecommended by specialists” as outlier case. And it was succeeded to get the hints that there is room for improvement in cross section or covariance of some nuclides by investigating outlier cases judged as recommended case by specialists.
Evaluation of covariance data in JENDL
Authors: Iwamoto Osamu
Published: March 2023

Evaluation of covariance for JENDL was virtually started after the release of JENDL-3.2. The covariance data were obtained for 16 nuclides and compiled to the JENDL-3.2 Covariance File. At the time of the JENDL-4.0 development, covariances were much enhanced especially for actinides; covariance data were given for 99 nuclides in total. The latest version JENDL-5 includes covariance data for 105 nuclides by adding new evaluations for light nuclides and structure materials. An overview of the covariance evaluation for JENDL is presented.
A proposed method for addressing large unphysical uncertainties in mubar
Authors: Parsons D. Kent
Published: March 2023

Mubar uncertainties in Section MF 34 MT 2 of ENDF/B-VIII.0 data are sometimes too large. Physical limitations of the bounds of mubar limit the maximum uncertainty to be < 1.0 and usually ≪ 1.0. Two ad hoc methods are proposed to artificially constrain the randomly sampled values of mubar to allowable values. The application of NJOY’s mubar covariance matrix to the “sandwich rule” is also discussed and a consistent way to apply sensitivity coefficients is described. Mubar uncertainties for the Jezebel keffwere found to be 156 pcm – a value comparable to other evaluated cross section uncertainties.
Test of models for235U(nth,f) charge distributions and their impacts on the covariance analysis
Authors: Cheikh S.M. , Kessedjian G. , Serot O. , Chebboubi A. , Litaize O.
Published: March 2023

Fission yields are of major interest for the nuclear industry and the study of the fission process. Fission yields are determined by evaluation process based on the analysis of experimental datasets and completed by phenomenological models. The aim is to provide the best estimation of independent yields of235U(nth,f) reaction. In this paper, we will focus on the methodology of assessment of the nuclear charge distribution per mass. In the JEFF-3.1.1, the Wahl’s parametrization of the Zp-model is used to complete the experimental knowledge. Nevertheless, the lack of this parametrization consists in the absence of uncertainty information. Consequently, it is impossible to generate the components of independent yield correlation matrix from the Zp-model. In this context, we propose to use the Zpmodel with a new parametrization to assess the charge distributions. Two different calculations have been developed: the first one is based on a Wahl-like linear approximation of the parameters as a function of mass. The second approach consists to apply a “direct-Zpmodel” without linear assumptions. This analysis is achieved using the Markov-Chain Monte-Carlo (MCMC) method to adjust the model parameters and then to deduce the covariance of charge distributions. Moreover, with our development, we have directly and consistently described the pre-neutron and post-neutron charge distributions.
Bedeutung der Umwelt – Luftverschmutzung, Lärm und Hitze als kardiovaskuläre Risikofaktoren
Authors: Münzel Thomas , Daiber Andreas , Hahad Omar
Published: March 2023

Luftverschmutzung, Verkehrslärm und Hitzewellen sind umweltbedingte Gesundheitsrisikofaktoren, die häufig in urbanen Räumen kolokalisiert sind. Diese Risikofaktoren können singulär oder in
Interaktion auftreten und wirken und sind vor allem für kardiovaskuläre und zerebrale gesundheitliche Nebenwirkungen verantwortlich. Bekannt ist, dass diese Umweltstressoren eine
endotheliale Dysfunktion, oxidativen Stress, Gefäßentzündungen und die Aktivierung des autonomen Nervensystems verursachen können und darüber vermittelt die Entwicklung von
kardiometabolischen und zerebralen Erkrankungen fördern. Die vorliegende Übersichtsarbeit diskutiert die pathophysiologischen Mechanismen umweltbedingter Erkrankungen sowie den Effekt
präventiver Maßnahmen für das Herz-Kreislauf-Risiko. Ein erhöhtes Bewusstsein für die Belastung der öffentlichen Gesundheit durch diese Umweltrisikofaktoren und die Integration dieser
Erkenntnisse in medizinischen Leitlinien können dazu beitragen, die Anstrengungen zu intensivieren, das Ausmaß von Luftverschmutzung, Lärm und Hitzewellen gesetzlich zu limitieren.
Hypoxische, anämische und kardial bedingte Hypoxämie: Wann beginnt die Hypoxie im Gewebe?
Authors: Köhler Dieter , Voshaar Thomas , Stais Patrick , Haidl Peter , Dellweg Dominic
Published: March 2023

Bei einer Hypoxämie ist oft der Sauerstoffgehalt noch im unteren Normbereich, sodass keine
Hypoxie im Gewebe vorliegt. Wird die Hypoxie-Schwelle im Gewebe bei einer hypoxisch, anämisch
und auch kardial bedingten Hypoxämie erreicht, kommt es im Zellstoffwechsel, unabhängig von
der Genese, zu identischen Gegenregulationen. Im klinischen Alltag wird diese
pathophysiologische Tatsache mitunter ignoriert, obwohl je nach Hypoxämie-Ursache die
Beurteilung und die Therapie stark unterschiedlich sind. Während für die anämische Hypoxämie
restriktive und allgemein akzeptierte Regeln in den Transfusionsrichtlinien festgelegt sind,
wird bei einer hypoxischen Hypoxie früh die Indikation zu einer meist invasiven Beatmung
gestellt. Die klinische Beurteilung und Indikationsstellung fokussiert dabei auf die Parameter
Sauerstoffsättigung, Sauerstoffpartialdruck und Oxygenierungsindex. Während der
Corona-Pandemie sind Fehlinterpretationen der Pathophysiologie sichtbar geworden und haben
vermutlich zu überflüssigen Intubationen geführt. Für die Behandlung einer hypoxischen Hypoxie
mittels invasiver Beatmung aber gibt es keine Evidenz. Im vorliegenden Review wird auf die
Pathophysiologie der verschiedenen Hypoxieursachen unter besonderer Berücksichtigung der
Intubation und Beatmung auf der Intensivstation eingegangen.
Epidemiology and Clinical Features of COVID-19 among 4,015 Neonates in Iran: Results of the National Study from the Iranian Maternal and Neonatal Network
Authors: Schwartz David A. , Mohagheghi Parisa , Moshfegh Fereshteh , Zafaranloo Nazanin , Khalili Narjes , Heidarzadeh Mohammad , Habibelahi Abbas , Ghafoury Roya , Afrashteh Fatemeh
Published: March 2023

Objective The coronavirus disease 2019 (COVID-19) pandemic had a significant impact on pregnant women and neonates in Iran. This retrospective study describes the national experience among neonates having suspected and confirmed severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection following hospital admission to examine the epidemiology, demographic, and clinical features.

Study Design All nationwide cases of suspected and confirmed neonatal SARS-CoV-2 infection were drawn from the Iranian Maternal and Neonatal Network (IMaN) between February 2020 and February 2021. IMaN registers demographic, maternal, and neonatal health data throughout Iran. Statistical analysis of demographic, epidemiological, and clinical data were performed.

Results There were 4,015 liveborn neonates having suspected or confirmed SARS-CoV-2 infection that fulfilled the study inclusion criteria identified in the IMaN registry from 187 hospitals throughout Iran. There were 1,392 (34.6%) neonates that were preterm, including 304 (7.6%) less than 32 weeks' gestation. Among the 2,567 newborns admitted to the hospital immediately after birth, the most common clinical problems were respiratory distress (1,095 cases; 42.6%), sepsis-like syndrome (355; 13.8%), and cyanosis (300 cases; 11.6%). Of 683 neonates transferred from another hospital, the most frequent problems were respiratory distress (388; 56.8%), sepsis-like syndrome (152; 22.2%), and cyanosis (134; 19.6%). Among 765 neonates discharged home after birth and subsequently admitted to the hospital, sepsis-like syndrome (244 cases; 31.8%), fever (210; 27.4%), and respiratory distress (185; 24.1%) were most frequent. A total of 2,331 (58%) of neonates required respiratory care, with 2,044 surviving and 287 having a neonatal death. Approximately 55% of surviving neonates received respiratory support, compared with 97% of neonates who expired. Laboratory abnormalities included elevations of white blood cell count, creatine phosphokinase, liver enzymes, and C-reactive protein.

Conclusion This report adds the national experience of Iran to the list of reports from multiple countries describing their experience with COVID-19 in neonates, demonstrating that newborns are not exempt from COVID-19-morbidity and mortality.

Key Points
Reductive Coupling of Sodium Sulfinates for the Synthesis of Thiosulfonates
Authors: Cheng Xiya , Zhang Mengxuan , Qiu Guanyinsheng , Zheng Danqing
Published: March 2023

A reductive coupling reaction of sodium sulfinates for the synthesis of symmetrical/unsymmetrical thiosulfonates is developed. The reaction takes place in the presence of acetyl chloride and Hantzsch ester under mild conditions and exhibits broad functional group tolerance. Mechanistic studies suggest that a radical process is involved.
A Unified Approach to Mono- and 2,3-Disubstituted N–H Indoles
Authors: Cha Jin Kun , Kim Young Gyu , Kim Ju Hee , Lee Sun A , Jeon Tae Sik
Published: March 2023

A unified approach to mono- and disubstituted N–H indoles is described by means of oxidative cyclization of 2-alkenyl anilines, which are prepared by cross-coupling of the corresponding o-bromoanilines. This procedure is operationally expedient and tolerant of common functional groups to allow regiospecific installation of the alkyl and aryl substituents.
Traumatic Supraclinoid Internal Carotid Artery Pseudoaneurysm associated with Carotid-Cavernous Fistula and Contralateral Anterior Cerebral Artery Pseudoaneurysm Treated by Surgical Trapping with High-Flow Bypass and A3-A3 Bypass: A Case Report and Literature Review
Authors: Duangprasert Gahn , Sukhor Sasikan , Kaewprasert Thanapum , Tantongtip Dilok
Published: March 2023

Traumatic pseudoaneurysms of the supraclinoid internal carotid artery (ICA) are uncommon, particularly associated with carotid-cavernous fistulas (CCF) or multiple traumatic aneurysms. This report describes a patient with a ruptured left ICA dissecting pseudoaneurysm that caused a direct CCF and a right anterior cerebral artery (ACA) pseudoaneurysm. To eliminate the aneurysm and fistula, we followed the universal bypass strategy by performing an ICA trapping with high-flow bypass, followed by an ACA trapping with A3-A3 side-to-side bypass. Herein, we report the first successful surgical trapping and revascularization of supraclinoid ICA pseudoaneurysm associated with a direct carotid-cavernous fistula.
Incidence of Myocarditis Associated with Diphtheria, Tetanus, and Pertussis Vaccine: A Rare Case Series
Authors: Iqbal Mohammad , Febrianora Mega , Putra Iwan Cahyo Santosa , Pramudyo Miftah , Achmad Chaerul
Published: March 2023

Myocarditis induced by diphtheria–tetanus–pertussis (DTP) vaccination is extremely rare, accounting for only two cases thus far. Hence, to supplement knowledge regarding its pathogenesis and treatment, we reported two cases of myocarditis associated with DTP vaccination in adults.

Two patients (a 40-year-old female and a 43-year-old male) presented with mild symptoms and were hemodynamically stable. In both patients, the DTP vaccination was given 4 and 6 days before admission. Both patients had prolonged corrected QT interval (QTc), poor left ventricular function, and high troponin levels at admission. However, numerous ST segment depression was only noted in the first case. Bacteriology and virology study results were negative for any pathogen. No atherosclerotic lesions were observed by coronary angiography. Cardiac magnetic resonance imaging was only performed in the second case, which confirmed the diagnosis of myocarditis. Initial therapy was administered with a beta-blocker, angiotensin-converting enzyme inhibitor, and intravenous methylprednisolone. Nonetheless, in the first case, rapid clinical deterioration and sudden cardiac death occur within 3 days of hospitalization. Learn from the first case, a high-dose intravenous immunoglobulin (IVIG) treatment was initiated in the second case, which resulted in an improvement in left ventricular function and clinical symptoms, as well as a significant reduction in QTc interval and troponin levels.

Rapid diagnostic testing and early recognition of the fulminant course is mandatory, allowing clinicians to aggressively treat the patient with high-dose intravenous immune globulin, thus obtaining a better outcome.
A precision-drive hysteresis model with an equal-density weight function for GMA feedforward compensation
Authors: Xiao Kun , Wang Zhiwen , Wang Hongyuan , Sun Jie , Zheng Yelong , Huang Yinguo
Published: March 2023

Giant magnetostrictive actuators (GMAs) are a widely used type of micro-nano actuator, and they are greatly significant in the field of precision engineering. The accuracy of a GMA often depends on its hysteresis model. However, existing models have some limitations, including the difficulty of identifying their parameters and the tradeoff between the quantity of modeling data required and the level of precision achieved. To solve these problems, in this paper, we propose a Preisach inverse model based on equal-density segmentation of the weight function (E-Preisach). The weight function used to calculate the displacement is first discretized. Then, to obtain a finer weight distribution, the discretized geometric units are uniformly divided by area. This can further minimize the output displacement span, and it produces a higher-precision hysteresis model. The process of parameter identification is made easier by this approach, which also resolves the difficulty of obtaining high precision using a small amount of modeling data. The Preisach and the E-Preisach inverse models were investigated and compared using experiments. At frequencies of 1 and 5 Hz, it was found that the E-Preisach inverse model decreases the maximum error of the feedforward compensation open-loop control to within 1 µm and decreases the root-mean-square error in displacement to within 0.5 µm without the need to increase the number of measured hysteresis loops. As a result, the E-Preisach inverse model streamlines the structure of the model and requires fewer parameters for modeling. This provides a high-precision modeling method using a small amount of modeling data; it will have applications in precision engineering fields such as active vibration damping and ultra-precision machining.
Modular nanomagnet design for spin qubits confined in a linear chain
Authors: Aldeghi Michele , Allenspach Rolf , Salis Gian
Published: March 2023

On-chip micromagnets enable electrically controlled quantum gates on electron spin qubits. Extending the concept to a large number of qubits is challenging in terms of providing large enough driving gradients and individual addressability. Here, we present a design aimed at driving spin qubits arranged in a linear chain and strongly confined in directions lateral to the chain. Nanomagnets are placed laterally to the one side of the qubit chain, one nanomagnet per two qubits. The individual magnets are “U”-shaped, such that the magnetic shape anisotropy orients the magnetization alternately toward and against the qubit chain even if an external magnetic field is applied along the qubit chain. The longitudinal and transversal stray field components serve as addressability and driving fields. Using micromagnetic simulations, we calculate driving and dephasing rates and the corresponding qubit quality factor. The concept is validated with spin-polarized scanning electron microscopy of Fe nanomagnets fabricated on silicon substrates, finding excellent agreement with micromagnetic simulations. Several features required for a scalable spin qubit design are met in our approach: strong driving and weak dephasing gradients, reduced crosstalk and operation at low external magnetic fields.
Delocalized electronic excitations and their role in directional charge transfer in the reaction center of Rhodobacter sphaeroides
Authors: Volpert Sabrina , Hashemi Zohreh , Foerster Johannes M. , Marques Mario R. G. , Schelter Ingo , Kümmel Stephan , Leppert Linn
Published: March 2023

In purple bacteria, the fundamental charge-separation step that drives the conversion of radiation energy into chemical energy proceeds along one branch—the A branch—of a heterodimeric pigment–protein complex, the reaction center. Here, we use first principles time-dependent density functional theory (TDDFT) with an optimally-tuned range-separated hybrid functional to investigate the electronic and excited-state structure of the six primary pigments in the reaction center of Rhodobacter sphaeroides. By explicitly including amino-acid residues surrounding these six pigments in our TDDFT calculations, we systematically study the effect of the protein environment on energy and charge-transfer excitations. Our calculations show that a forward charge transfer into the A branch is significantly lower in energy than the first charge transfer into the B branch, in agreement with the unidirectional charge transfer observed experimentally. We further show that the inclusion of the protein environment redshifts this excitation significantly, allowing for energy transfer from the coupled Qx excitations. Through analysis of transition and difference densities, we demonstrate that most of the Q-band excitations are strongly delocalized over several pigments and that both their spatial delocalization and charge-transfer character determine how strongly affected they are by thermally-activated molecular vibrations. Our results suggest a mechanism for charge-transfer in this bacterial reaction center and pave the way for further first-principles investigations of the interplay between delocalized excited states, vibronic coupling, and the role of the protein environment in this and other complex light-harvesting systems.
Spatially resolved degradation effects in UVB LEDs stressed by constant current operation
Authors: Ruschel Jan , Tomm Jens W. , Glaab Johannes , Kolbe Tim , Knauer Arne , Rass Jens , Lobo-Ploch Neysha , Musengezi Tamukanashe A. , Einfeldt Sven
Published: March 2023

InAlGaN-based UVB light-emitting diodes with an emission wavelength of 310 nm were operated at an elevated nominal current density of 200 A/cm2 and a heatsink temperature of 29 °C. The spatial intensity distributions of the electroluminescence and photoluminescence were measured before, during, and after dc stress. A decreasing homogeneity of the spatial intensity distributions with operation time was observed. It is concluded that the current density distribution changes during operation. Furthermore, the active region degrades more rapidly in the areas of higher current density. By quantitatively evaluating the current density distribution, it is proposed that a decreasing radiative recombination efficiency of the active region is causing the decrease in the total optical power of the LEDs during operation.
Investigation of defects in melt and solution grown perovskite CsPbBr3 single crystals
Authors: Liu Zhifu , Peters John A. , Pan Lei , Klepov Vladislav , De Siena Michael , Benadia Alessandro , Chung Duck Young , Kanatzidis Mercouri G. , Wessels Bruce W.
Published: March 2023

Recently, there has been considerable interest in x-ray and gamma ray detectors with large volume and high energy resolution that operate at room temperature. To improve detector energy resolution, the carrier mobility-lifetime product needs to be increased, and the electronic trap state concentration needs to be minimized. Defect concentrations in the part per billion range can alter the charge transport and carrier recombination lifetime. In this work, thermally stimulated current spectroscopy measurements were systematically carried out in bulk halide perovskite single crystals of CsPbBr3 over a temperature range of 80–320 K. The origins and trap parameters of CsPbBr3 crystals from the solution growth and melt growth procedures were determined and compared. Trap concentrations were ranged from 1 × 1011 to 1 × 1016 cm−3. Appreciable detector performance was observed for CsPbBr3 crystals with trap concentrations less than 1 × 1014 cm−3. The comparison of spectral responses of crystal samples grown using two different methods shows that, after purification, solution-grown crystals are comparable to melt-grown crystals in terms of low defect concentration and improved detector performance. For an improved mobility-lifetime product and enhanced spectral response to high energy radiation from fissile materials, trap states in either type of a crystal ingot must be reduced closer to 1011 cm−3.
Turbulent separations around a slanted-back Ahmed body with square and rounded leading edge
Authors: Sagharichi Amir , Aleyasin Seyed Sobhan , Tachie Mark Francis
Published: March 2023

An experimental study was conducted to study the effects of rounded (RL) and squared leading edge (SL) on the time-averaged and temporal characteristics around a slanted-back Ahmed body. Measurements were conducted at two Reynolds numbers of ReH = 1.70 × 104 and 3.60 × 104. The results showed that sharpening the leading edge induces a larger recirculation region near the leading edge of the body, but slightly reduces the recirculation region in the wake region. In both leading and near wake of bodies, the recirculation length for SL cases was independent of ReH, but for the RL body, it decreases in the leading edge and increases in the wake region as ReH increases. The analysis of turbulent structures showed that the extent of the region of elevated integral timescale around the body is larger in the SL case than RL one. Statistical analysis showed that sharpening the leading edge suppresses downwash flow, which in turn reduces the shear layer interaction behind the body and decreases the dominant shedding frequency. The dominant frequencies obtained using velocity fluctuations, reverse flow area, and the coefficient of the first proper orthogonal decomposition confirmed that the dominant frequency near the leading edge and the wake region of the RL body increases with ReH, while it is insensitive to ReH for SL case. The analysis performed in the spanwise plane also revealed that a region with higher streamwise mean velocity forms in the wake region of the RL body, which originates from the higher flow deviation near the trailing edge of the body.
Transitions from soft to hard piezoelectricity of (Ba, Ca)(Ti, Zr)O3 ceramics via precipitation hardening
Authors: Zheng Mupeng , Zhao Changhao , Rödel Jürgen
Published: March 2023

Hard piezoelectrics are essential for high-power applications, the market share of which has increased significantly over the past few years. Acceptor-doping hardening, which relies on oxygen vacancies, has been proven to be a good practice to improve mechanical quality factors. However, the high mobility of oxygen vacancies restricts the use of acceptor-doping hardening to low driving fields and temperatures. Here, we extend the design of hard-type piezoceramics via precipitation hardening and demonstrate its large potential in (Ba,Ca)(Ti,Zr)O3. A soft-to-hard transition has been realized in (Ba,Ca)(Ti,Zr)O3 ceramics with an introduction of precipitates, where the mechanical quality factor and coercive field increase by over 180% and 120%, respectively. Through synchrotron x-ray diffraction and Rayleigh analysis, it is revealed that the hardening effect is attributed to the inhibition of domain wall motion by the intragranular CaTiO3 precipitates. This precipitation-hardening approach offers great potential for the design of hard piezoceramics.
Partial and complete wetting of thin films with dynamic contact angle
Authors: Peschka Dirk
Published: March 2023

The wetting of thin films depends critically on the sign of the spreading coefficient S = γ S G − ( γ S L + γ L G ). We discuss the cases S < 0, S = 0, and S > 0 for transient models with contact line dissipation and find that the use of a dynamic contact angle solves problems for S > 0 that models might otherwise have. For initial data with a non-zero slope and S > 0, we show that there exists a finite time t p at which the contact angle of the thin film goes to zero. Then, a molecular precursor emerges from the thin film and moves outward at a constant velocity.
Structural insights into constitutive activity of 5-HT
6
receptor
Authors: He Licong , Zhao Qiaoyu , Qi Jianzhong , Wang Yifan , Han Wenyu , Chen Zhangcheng , Cong Yao , Wang Sheng
Published: March 2023

While most therapeutic research on G-protein-coupled receptors (GPCRs) focuses on receptor activation by (endogenous) agonists, significant therapeutic potential exists through agonist-independent intrinsic constitutive activity that can occur in various physiological and pathophysiological settings. For example, inhibiting the constitutive activity of 5-HT
6
R—a receptor that is found almost exclusively in the brain and mediates excitatory neurotransmission—has demonstrated a therapeutic effect on cognitive/memory impairment associated with several neuropsychiatric disorders. However, the structural basis of such constitutive activity remains unclear. Here, we present a cryo-EM structure of serotonin-bound human 5-HT
6
R-Gs heterotrimer at 3.0-Å resolution. Detailed analyses of the structure complemented by comprehensive interrogation of signaling illuminate key structural determinants essential for constitutive 5-HT
6
R activity. Additional structure-guided mutagenesis leads to a nanobody mimic Gαs for 5-HT
6
R that can reduce its constitutive activity. Given the importance of 5-HT
6
R for a large number of neuropsychiatric disorders, insights derived from these studies will accelerate the design of more effective medications, and shed light on the molecular basis of constitutive activity.
Johari–Goldstein
β
relaxation in glassy dynamics originates from two-scale energy landscape
Authors: Shiraishi Kumpei , Mizuno Hideyuki , Ikeda Atsushi
Published: March 2023

Supercooled liquids undergo complicated structural relaxation processes, which have been a long-standing problem in both experimental and theoretical aspects of condensed matter physics. In particular, past experiments widely observed for many types of molecular liquids that relaxation dynamics separated into two distinct processes at low temperatures. One of the possible interpretations is that this separation originates from the two-scale hierarchical topography of the potential energy landscape; however, it has never been verified. Molecular dynamics simulations are a promising approach to tackle this issue, but we must overcome laborious difficulties. First, we must handle a model of molecular liquids that is computationally demanding compared to simple spherical models, which have been intensively studied but show only a slower process:
α
relaxation. Second, we must reach a sufficiently low-temperature regime where the two processes become well-separated. Here, we handle an asymmetric dimer system that exhibits a faster process: Johari–Goldstein
β
relaxation. Then, we employ the parallel tempering method to access the low-temperature regime. These laborious efforts enable us to investigate the potential energy landscape in detail and unveil the first direct evidence of the topographic hierarchy that induces the
β
relaxation. We also successfully characterize the microscopic motions of particles during each relaxation process. Finally, we study the correlation between low-frequency modes and two relaxation processes. Our results establish a fundamental and comprehensive understanding of experimentally observed relaxation dynamics in supercooled liquids.
HPV16 E6 induces chromosomal instability due to polar chromosomes caused by E6AP-dependent degradation of the mitotic kinesin CENP-E
Authors: Cosper Pippa F. , Hrycyniak Laura C. F. , Paracha Maha , Lee Denis L. , Wan Jun , Jones Kathryn , Bice Sophie A. , Nickel Kwangok , Mallick Samyukta , Taylor Alison M. , Kimple Randall J. , Lambert Paul F. , Weaver Beth A.
Published: March 2023

Chromosome segregation during mitosis is highly regulated to ensure production of genetically identical progeny. Recurrent mitotic errors cause chromosomal instability (CIN), a hallmark of tumors. The E6 and E7 oncoproteins of high-risk human papillomavirus (HPV), which causes cervical, anal, and head and neck cancers (HNC), cause mitotic defects consistent with CIN in models of anogenital cancers, but this has not been studied in the context of HNC. Here, we show that HPV16 induces a specific type of CIN in patient HNC tumors, patient-derived xenografts, and cell lines, which is due to defects in chromosome congression. These defects are specifically induced by the HPV16 oncogene E6 rather than E7. We show that HPV16 E6 expression causes degradation of the mitotic kinesin CENP-E, whose depletion produces chromosomes that are chronically misaligned near spindle poles (polar chromosomes) and fail to congress. Though the canonical oncogenic role of E6 is the degradation of the tumor suppressor p53, CENP-E degradation and polar chromosomes occur independently of p53. Instead, E6 directs CENP-E degradation in a proteasome-dependent manner via the E6-associated ubiquitin protein ligase E6AP/UBE3A. This study reveals a mechanism by which HPV induces CIN, which may impact HPV-mediated tumor initiation, progression, and therapeutic response.
Structural insights into the multifunctionality of rabies virus P3 protein
Authors: Sethi Ashish , Rawlinson Stephen M. , Dubey Abhinav , Ang Ching-Seng , Choi Yoon Hee , Yan Fei , Okada Kazuma , Rozario Ashley M. , Brice Aaron M. , Ito Naoto , Williamson Nicholas A. , Hatters Danny M. , Bell Toby D. M. , Arthanari Haribabu , Moseley Gregory W. , Gooley Paul R.
Published: March 2023

Viruses form extensive interfaces with host proteins to modulate the biology of the infected cell, frequently via multifunctional viral proteins. These proteins are conventionally considered as assemblies of independent functional modules, where the presence or absence of modules determines the overall composite phenotype. However, this model cannot account for functions observed in specific viral proteins. For example, rabies virus (RABV) P3 protein is a truncated form of the pathogenicity factor P protein, but displays a unique phenotype with functions not seen in longer isoforms, indicating that changes beyond the simple complement of functional modules define the functions of P3. Here, we report structural and cellular analyses of P3 derived from the pathogenic RABV strain Nishigahara (Nish) and an attenuated derivative strain (Ni-CE). We identify a network of intraprotomer interactions involving the globular C-terminal domain and intrinsically disordered regions (IDRs) of the N-terminal region that characterize the fully functional Nish P3 to fluctuate between open and closed states, whereas the defective Ni-CE P3 is predominantly open. This conformational difference appears to be due to the single mutation N226H in Ni-CE P3. We find that Nish P3, but not Ni-CE or N226H P3, undergoes liquid–liquid phase separation and this property correlates with the capacity of P3 to interact with different cellular membrane-less organelles, including those associated with immune evasion and pathogenesis. Our analyses propose that discrete functions of a critical multifunctional viral protein depend on the conformational arrangements of distant individual domains and IDRs, in addition to their independent functions.
Genome balance and dosage effect drive allopolyploid formation in
Brassica
Authors: Cao Yao , Zhao Kanglu , Xu Junxiong , Wu Lei , Hao Fangyuan , Sun Meiping , Dong Jing , Chao Getu , Zhang Hong , Gong Xiufeng , Chen Yangui , Chen Chunli , Qian Wei , Pires J. Chris , Edger Patrick P. , Xiong Zhiyong
Published: March 2023

Polyploidy is a major evolutionary force that has shaped plant diversity. However, the various pathways toward polyploid formation and interploidy gene flow remain poorly understood. Here, we demonstrated that the immediate progeny of allotriploid AAC
Brassica
(obtained by crossing allotetraploid
Brassica napus
and diploid
Brassica rapa
) was predominantly aneuploids with ploidal levels ranging from near-triploidy to near-hexaploidy, and their chromosome numbers deviated from the theoretical distribution toward increasing chromosome numbers, suggesting that they underwent selection. Karyotype and phenotype analyses showed that aneuploid individuals containing fewer imbalanced chromosomes had higher viability and fertility. Within three generations of self-fertilization, allotriploids mainly developed into near or complete allotetraploids similar to
B. napus
via gradually increasing chromosome numbers and fertility, suggesting that allotriploids could act as a bridge in polyploid formation, with aneuploids as intermediates. Self-fertilized interploidy hybrids ultimately generated new allopolyploids carrying different chromosome combinations, which may create a reproductive barrier preventing allotetraploidy back to diploidy and promote gene flow from diploids to allotetraploids. These results suggest that the maintenance of a proper genome balance and dosage drove the recurrent conversion of allotriploids to allotetraploids, which may contribute to the formation and evolution of polyploids.
Artificial intelligence velocimetry reveals in vivo flow rates, pressure gradients, and shear stresses in murine perivascular flows
Authors: Boster Kimberly A. S. , Cai Shengze , Ladrón-de-Guevara Antonio , Sun Jiatong , Zheng Xiaoning , Du Ting , Thomas John H. , Nedergaard Maiken , Karniadakis George Em , Kelley Douglas H.
Published: March 2023

Quantifying the flow of cerebrospinal fluid (CSF) is crucial for understanding brain waste clearance and nutrient delivery, as well as edema in pathological conditions such as stroke. However, existing in vivo techniques are limited to sparse velocity measurements in pial perivascular spaces (PVSs) or low-resolution measurements from brain-wide imaging. Additionally, volume flow rate, pressure, and shear stress variation in PVSs are essentially impossible to measure in vivo. Here, we show that artificial intelligence velocimetry (AIV) can integrate sparse velocity measurements with physics-informed neural networks to quantify CSF flow in PVSs. With AIV, we infer three-dimensional (3D), high-resolution velocity, pressure, and shear stress. Validation comes from training with 70% of PTV measurements and demonstrating close agreement with the remaining 30%. A sensitivity analysis on the AIV inputs shows that the uncertainty in AIV inferred quantities due to uncertainties in the PVS boundary locations inherent to in vivo imaging is less than 30%, and the uncertainty from the neural net initialization is less than 1%. In PVSs of
N
= 4 wild-type mice we find mean flow speed 16.33 ± 11.09 µm/s, volume flow rate 2.22 ± 1.983 × 10
3
µm
3
/s, axial pressure gradient ( − 2.75 ± 2.01)×10
−4
Pa/µm (−2.07 ± 1.51 mmHg/m), and wall shear stress (3.00 ± 1.45)×10
−3
Pa (all mean ± SE). Pressure gradients, flow rates, and resistances agree with prior predictions. AIV infers in vivo PVS flows in remarkable detail, which will improve fluid dynamic models and potentially clarify how CSF flow changes with aging, Alzheimer’s disease, and small vessel disease.
A Hamilton–Jacobi-based proximal operator
Authors: Osher Stanley , Heaton Howard , Wu Fung Samy
Published: March 2023

First-order optimization algorithms are widely used today. Two standard building blocks in these algorithms are proximal operators (proximals) and gradients. Although gradients can be computed for a wide array of functions, explicit proximal formulas are known for only limited classes of functions. We provide an algorithm, HJ-Prox, for accurately approximating such proximals. This is derived from a collection of relations between proximals, Moreau envelopes, Hamilton–Jacobi (HJ) equations, heat equations, and Monte Carlo sampling. In particular, HJ-Prox smoothly approximates the Moreau envelope and its gradient. The smoothness can be adjusted to act as a denoiser. Our approach applies even when functions are accessible only by (possibly noisy) black box samples. We show that HJ-Prox is effective numerically via several examples.
Language typology as a discursive affordance in digital discourse
Authors: Borowski Krzysztof E.
Published: March 2023

With the rapid development of participatory social media, these spaces have become new arenas for producing political discourse. However, critical analyses of digital discourse that examine the importance of language typological variation for the (re)production of political discourse are relatively new. This chapter investigates linguistic creativity in non-elite political communication by combining a critical discursive approach with language typology. The analysis highlights the importance of language typology in political communication as political actors exploit the typological affordances of Polish. This chapter demonstrates how language affordances are mobilised for political reasons to (re)produce discriminatory political messages. The chapter suggests combining critical discourse analysis and language typology to reveal novel perspectives on the intersection of language and politics on the Internet.
A journal of impossible things
Authors: Pruden Meredith L.
Published: March 2023

In 2017, the cult programme Doctor Who announced its Thirteenth Doctor – classically trained Jodie Whittaker. This new regeneration (i.e., recasting) of an iconic, and consummately upper crust, British character follows twelve white male Doctors into the bigger-on-the-inside blue police box to traverse space and time saving the Whoniverse. Fans have always viewed new Doctors with scepticism, but this new female Doctor seemed impossible for fans. Was this impossibility a rupture with Whovian lore or a reflection of heteropatriarchal social norms? This chapter takes a feminist media and fan studies perspective and employs social media critical discourse analysis to examine the #NotMyDoctor hashtag that trended on Twitter following the announcement. It finds three themes: trolling the haters, the anti-PC police, and a Whovian cult of true womanhood.