bluuebunny/crossref_metadata_2025 huggingface dataset:
Genome-wide deposition of 6-methyladenine in human DNA reduces the viability of HEK293 cells and directly influences gene expression
Authors: Broche Julian , Köhler Anja R. , Kühnel Fiona , Osteresch Bernd , Chandrasekaran Thyagarajan T. , Adam Sabrina , Brockmeyer Jens , Jeltsch Albert
Published: February 2023

While cytosine-C5 methylation of DNA is an essential regulatory system in higher eukaryotes, the presence and relevance of 6-methyladenine (m6dA) in human cells is controversial. To study the role of m6dA in human DNA, we introduced it in human cells at a genome-wide scale at GANTC and GATC sites by expression of bacterial DNA methyltransferases and observed concomitant reductions in cell viability, in particular after global GANTC methylation. We identified several genes that are directly regulated by m6dA in a GANTC context. Upregulated genes showed m6dA-dependent reduction of H3K27me3 suggesting that the PRC2 complex is inhibited by m6dA. Genes downregulated by m6dA showed enrichment of JUN family transcription factor binding sites. JUN binds m6dA containing DNA with reduced affinity suggesting that m6dA can reduce the recruitment of JUN transcription factors to target genes. Our study documents that global introduction of m6dA in human DNA has physiological effects. Furthermore, we identified a set of target genes which are directly regulated by m6dA in human cells, and we defined two molecular pathways with opposing effects by which artificially introduced m6dA in GANTC motifs can directly control gene expression and phenotypes of human cells.
Proteogenomics decodes the evolution of human ipsilateral breast cancer
Authors: De Marchi Tommaso , Pyl Paul Theodor , Sjöström Martin , Reinsbach Susanne Erika , DiLorenzo Sebastian , Nystedt Björn , Tran Lena , Pekar Gyula , Wärnberg Fredrik , Fredriksson Irma , Malmström Per , Fernö Mårten , Malmström Lars , Malmstöm Johan , Niméus Emma
Published: February 2023

Ipsilateral breast tumor recurrence (IBTR) is a clinically important event, where an isolated in-breast recurrence is a potentially curable event but associated with an increased risk of distant metastasis and breast cancer death. It remains unclear if IBTRs are associated with molecular changes that can be explored as a resource for precision medicine strategies. Here, we employed proteogenomics to analyze a cohort of 27 primary breast cancers and their matched IBTRs to define proteogenomic determinants of molecular tumor evolution. Our analyses revealed a relationship between hormonal receptors status and proliferation levels resulting in the gain of somatic mutations and copy number. This in turn re-programmed the transcriptome and proteome towards a highly replicating and genomically unstable IBTRs, possibly enhanced by APOBEC3B. In order to investigate the origins of IBTRs, a second analysis that included primaries with no recurrence pinpointed proliferation and immune infiltration as predictive of IBTR. In conclusion, our study shows that breast tumors evolve into different IBTRs depending on hormonal status and proliferation and that immune cell infiltration and Ki-67 are significantly elevated in primary tumors that develop IBTR. These results can serve as a starting point to explore markers to predict IBTR formation and stratify patients for adjuvant therapy.
Towards a systematization of brain oscillatory activity in actions
Authors: Beste Christian , Münchau Alexander , Frings Christian
Published: February 2023

Information processing in the brain is governed by oscillatory activity. Activity oscillations in specific frequency bands (theta, alpha, beta and gamma) have been associated with various cognitive functions. A drawback of this is that the plethora of findings led to considerable uncertainty as to the functional relevance of activity in different frequency bands and their interrelation. Here, we use a novel cognitive-science theoretical framework to better understand and conceptually harmonize neurophysiological research on human action control. We outline how this validated starting point can systematize and probably reframe the functional relevance of oscillatory activity relevant for action control and beyond.
Photoluminescence of the Au38(SR)26 nanocluster comprises three radiative processes
Authors: Luo Lianshun , Liu Zhongyu , Du Xiangsha , Jin Rongchao
Published: February 2023

Photoluminescence of ultrasmall, atomically precise gold nanoclusters constitutes an area of significant interest in recent years for both fundamental research and biological applications. However, the exploration of near-infrared photoluminescence of gold nanoclusters is still in its infancy due to the limitations of synthetic methods and characterization techniques. Herein, the photoluminescence properties of an Au38(PET)26 (PET = 2-phenylethanethiolate) nanocluster are investigated in detail. The Au38(PET)26 exhibits an emission peak at 865 nm, which is revealed to be a mix of fluorescence, thermally activated delayed fluorescence, and phosphorescence via the combined analyses of time-resolved and temperature-dependent photoluminescence measurements. The quantum yield of Au38(PET)26 is determined to be 1.8% at room temperature under ambient conditions, which increases to above 90% by suppressing the non-radiative relaxation pathway at a cryogenic temperature (80 K). Overall, the results of this work discover the coexistence of three radiative processes in thiolate-protected Au nanoclusters and will pave the way for understanding the intriguing photoluminescence properties of gold nanoclusters in future studies.
A multi-MeV alpha particle source via proton-boron fusion driven by a 10-GW tabletop laser
Authors: Istokskaia Valeriia , Tosca Marco , Giuffrida Lorenzo , Psikal Jan , Grepl Filip , Kantarelou Vasiliki , Stancek Stanislav , Di Siena Sabrina , Hadjikyriacou Arsenios , McIlvenny Aodhan , Levy Yoann , Huynh Jaroslav , Cimrman Martin , Pleskunov Pavel , Nikitin Daniil , Choukourov Andrei , Belloni Fabio , Picciotto Antonino , Kar Satyabrata , Borghesi Marco , Lucianetti Antonio , Mocek Tomas , Margarone Daniele
Published: February 2023

Nuclear fusion between protons and boron-11 nuclei has undergone a revival of interest thanks to the rapid progress in pulsed laser technology. Potential applications of such reaction range from controlled nuclear fusion to radiobiology and cancer therapy. A laser-driven fusion approach consists in the interaction of high-power, high-intensity pulses with H- and B-rich targets. We report on an experiment exploiting proton-boron fusion in CN-BN targets to obtain high-energy alpha particle beams (up to 5 MeV) using a very compact approach and a tabletop laser system with a peak power of ~10 GW, which can operate at high-repetition rate (up to 1 kHz). The secondary resonance in the cross section of proton-boron fusion (~150 keV in the center-of-mass frame) is exploited using a laser-based approach. The generated alpha particles are characterized in terms of energy, flux, and angular distribution using solid-state nuclear-track detectors, demonstrating a flux of ~105 particles per second at 10 Hz, and ~106 per second at 1 kHz. Hydrodynamic and particle-in-cell numerical simulations support our experimental findings. Potential impact of our approach on future spread of ultra-compact, multi-MeV alpha particle sources driven by moderate intensity (1016-1017 W/cm2) laser pulses is anticipated.
An Introduction to Ionic Liquids
Authors: Freemantle Michael , Welton Tom , Rogers Robin D
Published: February 2023

In the late 1990s, there was an explosion of research on ionic liquids and they are now a major topic of academic and industrial interest with numerous existing and potential applications. Since then, the number of scientific papers focusing on ionic liquids has risen exponentially, including a few edited multi-author books covering the latest advances in ionic liquids chemistry and several volumes of symposium proceedings. Much of the content in these books and volumes is written using technical jargon that only scientists at the cutting edge of ionic liquids research will understand and ionic liquids are hardly covered in most modern chemistry textbooks. This is the first single-author book on ionic liquids and the first introductory book on the topic. It is written in a clear, concise and consistent way. The book provides a useful introduction to ionic liquids for those readers who are not familiar with the topic. It is also wide ranging, embracing every aspect of the chemistry and applications of ionic liquids. The book draws extensively on the primary scientific literature to provide numerous examples of research on ionic liquids. These examples will enable the reader to become familiar with the key developments in ionic liquids chemistry over recent years. The book provides an introduction to: ionic liquids; their nomenclature; history; physical, chemical and biological properties; and their wide ranging uses and potential applications in catalysis, electrochemistry, inorganic chemistry, organic chemistry, analysis, biotechnology, green chemistry and clean technology. Notable and important chapters include "The Green Credentials of Ionic Liquids" and "Biotechnology." The chapter on "Applications" includes sections with brief descriptions of recent research on the development of ionic liquids: - for the construction of a liquid mirror for a moon telescope - for use as rocket propellants - for use as antimicrobial agents that combat MRSA - as active pharmaceutical ingredients and antiviral drugs - for embalming and tissue preservation Science students, researchers, teachers in academic institutions and chemists and other scientists in industry and government laboratories will find the book an invaluable introduction to one of the most rapidly advancing and exciting fields of science and technology today.
Food Microbiology
Authors: Adams Martin , Moss Maurice O , McClure Peter
Published: February 2023

Food Microbiology by Adams and Moss has been a popular textbook since it was first published in 1995. Now in its fourth edition, Peter McClure joins the highly successful authorship in order to bring the book right up to date.

Maintaining its general structure and philosophy to encompass modern food microbiology, this new edition provides updated and revised individual chapters and uses new examples to illustrate incidents with particular attention being paid to images. Thorough and accessible, it is designed for students in the biological sciences, biotechnology and food science as well as a valuable resource for researchers, teachers and practising food microbiologists.
Adhesion Science
Authors: Comyn John
Published: February 2023

The use of adhesives is widespread and growing. There are few modern artefacts, from simple food packing to complex jumbo jets, that are without this means of adhesive joining. Fully updated and revised, Adhesion Science 2nd Edition provides an illuminating account of the science underlying the use of adhesives; technology fundamental to the science of coatings and composite materials, and to the performance of all types of bonded structures. This book guides the reader through essential polymer science to the chemistry of adhesives currently in use. It discusses surface preparation for adhesive bonding, the use of primers and coupling agents and includes a simple guide on stress distribution joints and considerations for testing. Adhesion Science also examines the interaction of adhesives and the environment, including an analysis of the resistance of joints to water, oxygen and ultra-violet light. This book is a comprehensive introduction to the chemistry of adhesives ideal not only for chemists, but any students with a background in physical or materials science.
Mitochondria-targeting NIR AIEgens with cationic amphiphilic character for imaging and efficient photodynamic therapy
Authors: Xie Shengjie , Cong Zisong , Wang Weihua , Qin Shanshan , Weng Xiaocheng , Song Heng , Zhou Xiang
Published: February 2023

A dual-cationic amphiphilic strategy was developed to design multifunctional targeted AIEgens for mitochondria targeting, selective discrimination of Gram-positive bacteria and efficient photodynamic therapy.
A long chain-induced depletion effect for abnormal grafting in the preparation of bimodal bidisperse polymer-grafted nanoparticles
Authors: Li Chu-Xiang , Mao Jin-Yuan , Li Shu-Jia , Wang Yan , Liu Hong
Published: February 2023

The results obtained by our simulations can provide effective guidance for the design of nanoparticle-grafted bimodal bidisperse polymer chains and provide a theoretical basis for experimentation and production of polymer nanocomposites with better performance.
A mini review of the recent progress of electrode materials for low-temperature solid oxide fuel cells
Authors: Hu Shiming , Li Jin , Zeng Yu , Pu Jian , Chi Bo
Published: February 2023

This review provides the recent progress of electrode modifications for low-temperature solid oxide fuel cells. The atomic control strategy and morphology decoration of electrodes to improve the electrochemical properties of LT-SOFC are discussed.
Quantifying the performance of machine learning models in materials discovery
Authors: Borg Christopher K. H. , Muckley Eric S. , Nyby Clara , Saal James E. , Ward Logan , Mehta Apurva , Meredig Bryce
Published: February 2023

In this work, we simulate a sequential learning (SL)-guided materials discovery process and demonstrate a decoupling between traditional model error metrics and model performance in guiding materials discoveries.
Post engineering of a chemically stable MOF for selective and sensitive sensing of nitric oxide
Authors: Mandal Writakshi , Majumder Dipanjan , Fajal Sahel , Let Sumanta , Shirolkar Mandar M. , Ghosh Sujit K.
Published: February 2023

A hydrolytically stable luminous metal–organic framework (MOF) sensor was strategically designed for precise dual phase recognition of biologically relevant yet toxic nitric oxide (NO).
Recent advances in aggregation-induced emission materials for enhancing solar energy utilization
Authors: Liu Haixiang , Bai Haotian , Lam Jacky W. Y. , Kwok Ryan T. K. , Tang Ben Zhong
Published: February 2023

We summarized the recent progress of aggregation-induced emission (AIE) materials in luminescent solar concentrators, photosynthesis augmentation and solar steam generation. The luminescence and heat generation of AIE materials in different states have been utilized.
Design of D–π–A type carbon nanohoops with enhanced nonlinear optical response: a size-dependent effect study
Authors: Huang Xiao , Bai Xue , Gan Ping-yao , Liu Wen-bo , Yan Han , Gao Feng-wei , Xu Hong-liang , Su Zhong-min
Published: February 2023

The nonlinear optical responses of carbon nanohoop derivatives increase significantly with the increasing number and the length of π-bridges.
Electrifying synthesis of organosilicon compounds – from electrosynthesis to electrocatalysis
Authors: Kuciński Krzysztof
Published: February 2023

Organosilicon compoundsviaelectrosynthesis – the recent developments and further challenges.
An FeSxdoped three-dimensional covalent organic framework for degradation of dyes
Authors: Song Jialong , Yu Chengyang , Liu Yaozu , Ren Junxia , Liu Jianchuan , Wang Zitao , Zhu Liangkui , Fu Jing , Tang Bin , Qiu Shilun , Wang Yujie , Fang Qianrong
Published: February 2023

Here, we reported a three-dimensional mesoporous COF loaded with FeSxnanoparticles, termed JUC-598@FeSx, which can rapidly degrade dyes in the Fenton reaction.
2D supramolecular organic framework with tunable luminescence via cucurbit[n]uril-based hydrogen bonds, outer-surface interactions and host–guest interactions
Authors: Jin Shuai-Peng , Wu Huai-Li , Zhang Le-Ping , Yang Guan-Yu , Yang Bo
Published: February 2023

Four new 2D SOFs were formed by utilizing multi-type cucurbit[n]urils with a rod-like bipyridine ligands, realizing fluorescent conversion in the solid state.
A carbon dot-based nanoscale covalent organic framework as a new emitter combined with a CRISPR/Cas12a-mediated electrochemiluminescence biosensor for ultrasensitive detection of bisphenol A
Authors: Ma Rongxian , Jiang Jiaxuan , Ya Yanfei , Lin Yu , Zhou Yuyi , Wu Yeyu , Tan Xuecai , Huang KeJing , Du Fangkai , Xu Jingjuan
Published: February 2023

Fabrication of a carbon dot-based covalent organic framework as a novel ECL emitter combined with the sensing strategy mediated by CRISPR/Cas12a to construct an ECL biosensor for ultrasensitive detection of BPA.
Temperature dependent local inhomogeneity and magnetic moments of (Li1−xFex)OHFeSe superconductors
Authors: Tomassucci G. , Tortora L. , Pugliese G. M. , Stramaglia F. , Simonelli L. , Marini C. , Terashima K. , Wakita T. , Ayukawa S. , Yokoya T. , Kudo K. , Nohara M. , Mizokawa T. , Saini N. L.
Published: February 2023

Anomalous local structure and magnetic moment of an inhomogeneous FeSe based superconductor indicating importance of the structure and magnetic correlations in these materials.
Imaging Osteomyelitis: An Update
Authors: Aydingoz Ustun
Published: February 2023

Background Hematogenous osteomyelitis has increased over the past quarter century in frequency, virulence, and degree of soft-tissue involvement, bringing about changes in clinical manifestations and management of the disease especially in children that should be reflected in the current imaging approach. Likewise, the global disease burden of diabetes has increased greatly in the same period, compounding the problem of ascertaining osteomyelitis in diabetic foot.

Method This article provides an updated overview of imaging findings in hematogenous and contiguous osteomyelitis based on the literature and our institutional experience, along with salient features of recent recommendations from expert groups on the diagnostic algorithms and reporting terminology.

Results and Conclusion Findings on radiography and especially magnetic resonance imaging (MRI) closely reflect pathophysiology in osteomyelitis, whereby the characteristic involvement of the metaphysis or metaphyseal-equivalents, the formation and subperiosteal extension of intramedullary pus collection, and the development of cloaca, sequestrum, and involucrum are all diagnostic clues. Non-enhancing foci within the medullary bone, the penumbra sign, intra- or extramedullary fat globules, and surrounding soft tissue inflammation or abscesses are among key MRI findings. Diabetic foot is a special condition with characteristic pathophysiologic and imaging features that suggest the likelihood of osteomyelitis and the main differential diagnostic consideration of acute on chronic neuropathic osteoarthropathy with or without osteomyelitis.

Key Points 

Citation Format
Mit dem Kopf durch die Wand – Präventionsstrategien für Kopf- und Nackenverletzungen im American Football
Authors: Velásquez Marco Estrada , Samut Enes
Published: February 2023

American Football ist eine raue Sportart. Heftige Zusammenstöße zwischen den einzelnen Spielern sind wegen der Spielregeln unumgänglich. Kein Wunder, dass es dabei immer wieder zu Verletzungen von Kopf und Halswirbelsäule kommt. Zum Glück gibt es Übungen, mit denen sich die Spieler vor folgenschweren Verletzungen schützen können …
Rennrodeln und HWS-Beschwerden
Authors: Hirschbiel Marcus
Published: February 2023

Beim Rennrodeln wirken gewaltige Kräfte. Kein Wunder, dass mancher Athlet Beschwerden bekommt, die die Fortsetzung der Karriere gefährden. Sportphysio Marcus Hirschbiel beschreibt in einem Fallbeispiel, wie er einen Kaderathleten mit nicht alltäglichen Übungen wieder fit für den Wettkampf macht.
Waterpipe Tobacco (Hookah) Use in Pregnancy: Associations with Nausea and Vomiting of Pregnancy
Authors: Whelan Anna R. , Gimovsky Alexis C. , Jao Nancy C. , Werner Erika F. , Vergara-Lopez Chrystal , Stroud Laura R.
Published: February 2023

Objective Waterpipe tobacco (WPT) use is common among reproductive age patients and is often perceived as safer than cigarette use. Prior studies have shown a decrease in nausea and vomiting symptoms among pregnant women who use cigarettes, but no studies to date have examined these symptoms in pregnant women who use WPT. This study was aimed to investigate the extent of symptoms of nausea/vomiting of pregnancy among participants who self-reported WPT use during pregnancy.

Study Design Secondary analysis of a prospective cohort study examining WPT use during pregnancy. Participants completed the Pregnancy-Unique Quantification of Emesis (PUQE) during first and third trimesters. Medical conditions were determined by medical record review. Participants were evaluated by sole WPT use versus dual/polysubstance WPT use and frequency of WPT use.

Results Ninety-nine (100%) participants completed the PUQE questionnaire during first trimester and 82 (82.8%) completed the PUQE during third trimester. Almost all (91.9%) participants reported moderate nausea/vomiting symptoms at both assessments. There was no difference in frequency of WPT use in pregnancy or rates of dual/polysubstance WPT use in participants with all levels of the PUQE questionnaire. There was also no difference in rates of WPT use or PUQE scores between sole WPT users and dual/polysubstance users. When comparing low and high WPT use, those who were in the higher frequency use group had higher waterpipe dependence scale scores (7.2 vs. 5.3, p < 0.02). With regard to maternal medical comorbidities, the only difference between groups was that sole WPT users were more likely to have a diagnosis of asthma than dual/polysubstance users (36.8 vs. 14.9%, p < 0.02).

Conclusion There were no differences in symptoms of nausea and vomiting of pregnancy or medical conditions in pregnant women who use WPT with any frequency during pregnancy. However, sole WPT users had higher rates of asthma than dual/polysubstance WPT users.

Key Points
Decreasing the Newborn Birth Hospitalization Length of Stay
Authors: Groening Portia , Silver Ellen J. , Nemerofsky Sheri L.
Published: February 2023

Objectives This study aimed to determine our ability to shorten birth hospitalization length of stay (LOS) in which patient characteristics were associated with early discharge and had effects on early newborn readmission rate.

Study Design Retrospective chart review of births from April 1, 2020 to December 31, 2020, was considered for this study. Delivery mode and maternal and newborn characteristics were evaluated for effect on discharge timing. Hospital readmissions within 7 days of discharge were reviewed.

Results In total, 845 out of 1,077 total live births were included in the study population. Five hundred and eighty-nine (69.7%) newborns were discharged early (<48 hours after vaginal delivery [VD] and <72 hours after cesarean delivery [CS]). Factors associated with early discharge included 79.8% CS (p < 0.001), 84% birth after 2 p.m. (p < 0.001), 71.2% no diagnosis of maternal diabetes (p = 0.02), and 70.6% negative maternal coronavirus disease 2019 (p = 0.01). The overall 7-day readmission rate was 1.2 and 0.5% for newborns discharged early after VD.

Conclusion Most newborns can be discharged early without increasing newborn readmission.

Key Points
Synthesis of γ-Aryl Medium-Sized Cyclic Enones by a Domino 4π-Electrocyclic Reaction/Heck–Matsuda Arylation Sequence at Ambient Temperature
Authors: Takasu Kiyosei , Ito Tomohiro , Takeuchi Nao , Yamaoka Yousuke , Takikawa Hiroshi
Published: February 2023

Bicyclo[n.2.0]cyclobutenes were transformed into medium-sized cyclic γ-aryl enones by using a cationic aryl palladium(II) species generated from a diazonium salt. The reaction proceeded at ambient temperature by capturing the cis,trans-cycloalkadiene intermediate generated through a conrotatory 4π-electrocyclic ring-opening reaction, followed by a Heck–Matsuda arylation sequence. Optically pure γ-aryl enones were also synthesized by using a point-to-planar-to-point chirality-transfer process.
CN-Doped Cobalt Oxide Composite: An Economic and Reusable Catalyst with Multitasking Catalytic Capability for Alkyne and Nitrile Hydrations and Nitro Reductions
Authors: Joshi Raj Kumar , Srivastava Avinash K. , Khandaka Himanshu
Published: February 2023

A heterogeneous CoOCN composite was synthesized via a one-pot reaction of [Co(NO3)2] and urea at 500 °C in a muffle furnace. The composite was fully characterized by FTIR, Raman, powder XRD, and XPS techniques. The catalyst was found to be efficient for the hydrations of aryl alkynes and nitriles under aerobic conditions. In addition, the catalyst exhibits high catalytic performance for the reduction of nitroarenes under inert gas-free conditions. This multitasking CoOCN composite was found to be highly suitable for all derivatives of nitrobenzene, alkynes, and nitriles because good to excellent yields were obtained. The catalyst was recovered quantitatively from the reaction mixture by simple filtration and consequently reused for seven consecutive cycles in all reactions without significant loss of catalytic activity. Hence, the synthesized CN-doped CoOCN composite worked as a multitasking catalyst for various value-added organic transformations, and it is highly economical and reusable for up to seven catalytic cycles without any activation, with even the last cycle producing reasonable yields of up to 48–50%.
Comprehensive Assessment of Lower-Face Volume Reduction Using Laser-Assisted Liposuction as an Additive Procedure in Asian Rhytidectomy
Authors: Han Chung Hee , Li Jun , Lin Xiaoyan , Park Jae Hyun
Published: February 2023

The most important factor that distinguishes a youthful appearance from an aged one is the shape of the lower face. This study aimed to examine the outcome of volume reduction of the lower face using laser-assisted liposuction (SmartLipo) at the time of rhytidectomy in Asians. There were 20 patients (Group 1) for whom only extended deep-plane rhytidectomy were performed, while extended deep-plane rhytidectomy with laser-assisted liposuction was performed on 42 patients (Group 2). This study was performed retrospectively. The FACE-Q questionnaire was given to evaluate the subjective result of the patient. Efficacy was evaluated by measuring the fat quantity at the midpoint and anterior border of the masseter muscle on each side by using an ultrasound scan in Group 2. Then, the correlation between the change in the quantity of fat and the FACE-Q was investigated. The overall satisfaction, and satisfaction for the lower face, jawline, and the area under the chin were significantly higher for Group 2 for which the procedure was concurrently performed in comparison to Group 1. In Group 2, change in the fat was reduced by 21.2% (Rt.) and 22.5% (Lt.) at the mid-point and 24.5% (Rt.) and 26.4% (Lt.) at the anterior border of the masseter muscle. Changes in the fat quantity and lower face satisfaction displayed a significant correlation. With a greater reduction in fat quantity, the score of lower face satisfaction was higher. In addition, with a higher level of satisfaction for the lower face and jawline, the overall satisfaction score displayed a higher positive correlation. Laser-assisted liposuction was useful for the additive procedure at the time of rhytidectomy and improved patient's satisfaction after surgery.
Roadmap for the exposé of radiation flows (Xflows) experiment on NIF
Authors: Johns Heather M. , Byvank Tom , Robey Harry , Urbatsch Todd , Coffing Shane , Fryer Christopher L. , Perry Theodore S. , Kozlowski Pawel M. , Fontes Christopher J. , Love Kevin , Meyerhofer D. D. , Dodd Evan S. , Opachich Yekaterina P. , Kot Lynn , Heeter Robert F. , Finnegan Sean
Published: February 2023

The goal of the Xflows experimental campaign is to study the radiation flow on the National Ignition Facility (NIF) reproducing the sensitivity of the temperature (±8 eV, ±23 μm) and density (±11 mg/cc) measurements of the COAX platform [Johns et al., High Energy Density Phys. 39, 100939 (2021); Fryer et al., High Energy Density Phys. 35, 100738 (2020); and Coffing et al., Phys. Plasmas 29, 083302 (2022)]. This new platform will enable future astrophysical experiments involving supernova shock breakout, such as Radishock (Johns et al., Laboratory for Laser Energetics Annual Report 338, 2020) on OMEGA-60 [Boehly et al., Rev. Sci. Instrum. 66, 508 (1995)], and stochastic media (such as XFOL on OMEGA). Greater energy and larger physical scale on NIF [Moses et al., Eur. Phys. J. D 44, 215 (2007)] will enable a greater travel distance of radiation flow, higher density, and more manufacturable foams and enable exploration of a greater range of radiation behavior than achievable in the prior OMEGA experiments. This publication will describe the baseline configuration for the Xflows experimental campaign and the roadmap to achieve its primary objectives.
Generation of synchronized x-rays and mid-infrared pulses by Doppler-shifting of relativistically intense radiation from near-critical-density plasmas
Authors: Mikheytsev Nikita A. , Korzhimanov Artem V.
Published: February 2023

It is shown that when relativistically intense ultrashort laser pulses are reflected from the boundary of a plasma with a near-critical density, the Doppler frequency shift leads to generation of intense radiation in both the high-frequency (up to the x-ray) and low-frequency (mid-infrared) ranges. The efficiency of energy conversion into the wavelength range above 3 µm can reach several percent, which makes it possible to obtain relativistically intense pulses in the mid-infrared range. These pulses are synchronized with high harmonics in the ultraviolet and x-ray ranges, which opens up opportunities for high-precision pump–probe measurements, in particular, laser-induced electron diffraction and transient absorption spectroscopy.
Measurement of 2D density profiles using a second-harmonic, dispersion interferometer
Authors: Chavez C. T. , Egly A. , Sepulveda I. , Wessel F. J.
Published: February 2023

A second-harmonic, dispersion interferometer is used to image large-area (≃5 cm2) plasma-jet and gas-jet density profiles. Achromatic telescopes magnify the diameters of the primary-laser beam (1064 nm) and its second-harmonic (532 nm) before probing the sample and de-magnify the beam diameters after the sample, where the primary beam transfers its phase change to a second, second-harmonic beam, allowing the sample’s dispersive-phase change to be measured between two, orthogonally polarized second harmonic beams. The telescopes produce an azimuthally symmetric, dispersive-phase shift in the sample + background phase-change image and in the background phase-change image, which is removed by digital subtraction. The interferometer’s performance was verified using standard-optical components as dispersive elements (BK7 lenses and wedge plates), resolving a minimum, phase-change sensitivity of Δϕmin ≳ 15 mrad and spatial resolution of Δxres ≃ 100 μm. The phase change produced by unknown-density objects (a pulsed-plasma-jet and a pulsed-gas-jet) was measured, and their data were used to recover the original, 2D density profiles using an inverse Abel transform: peak-number density, Ngas ≃ 6 × 1020 cm−3 and Ne ≃ 5 × 1016 cm−3; line-integrated density, ∫Ngasdl ∼ 2 × 1019cm−2 and ∫Nedl ∼ 1 × 1016cm−2. The techniques and methods developed here are scalable to even larger probe-beam diameters and frame-capture rates, leading to a diagnostic capability that is well-suited for applications involving the real-time measurement of density.
High voltage nanosecond pulse generator based on pseudospark switch and diode opening switch
Authors: Deng Zichen , Yuan Qi , Chang Ran , Ding Zhenjie , Ding Weidong , Ren Linyuan , Wang Yanan
Published: February 2023

With the development of technology, low-temperature plasma plays an increasingly important role in industrial applications. The industrial application of low-temperature plasma has the following requirements for plasma, high electron energy, low macroscopic temperature, and uniformity. Low-temperature plasma driven by nanosecond pulses reflects more significant advantages in these aspects compared to direct current plasma and alternating current plasma. In this paper, a simple topology is proposed, which is based on the pseudospark switch and the diode opening switch. A pulse generator is developed, which can eventually output pulses with an amplitude of 106 kV, a rise time of 15.5 ns, a pulse width of 46 ns, and a maximum repetition rate of 1 kHz on a 260 Ω resistive load. The pulse generator can successfully drive needle-plate discharge plasma in ambient air. It has excellent parameters, stability, compactness, and a long lifetime. The proposed topology may be helpful for nanosecond pulse generators with amplitude ranging from tens to hundreds of kilovolts, which could be widely used in industry.
Occurrence of super-diffusion in two-layer networks
Authors: Cai Zhanhui , Wu Xiaoqun , Wei Juan , Xiao Min , Lu Jun-an
Published: February 2023

Super-diffusion is a phenomenon that can be observed in multilayer networks, which describes that the diffusion in a multilayer network is faster than that in the fastest individual layer. In most studies of super-diffusion on two-layer networks, many researchers have focused on the overlap of edges in the two layers and the mode of interlayer connectivity. We discover that the occurrence of super-diffusion in two-layer networks is not necessarily related to the overlap degree. In particular, in a two-layer network, sparse topological structures of individual layers are more beneficial to the occurrence of super-diffusion than dense topological structures. Additionally, similar diffusion abilities of both layers favor super-diffusion. The density of interlayer edges and interlayer connection patterns also influence the occurrence of super-diffusion. This paper offers suggestions to improve the diffusion ability in two-layer networks, which can facilitate the selection of practical information transmission paths between different systems and optimize the design of the internal framework of a company composed of multiple departments.
Complex dynamics in an unexplored simple model of the peroxidase–oxidase reaction
Authors: Folke Olsen Lars
Published: February 2023

A previously overlooked version of the so-called Olsen model of the peroxidase–oxidase reaction has been studied numerically using 2D isospike stability and maximum Lyapunov exponent diagrams and reveals a rich variety of dynamic behaviors not observed before. The model has a complex bifurcation structure involving mixed-mode and bursting oscillations as well as quasiperiodic and chaotic dynamics. In addition, multiple periodic and non-periodic attractors coexist for the same parameters. For some parameter values, the model also reveals formation of mosaic patterns of complex dynamic states. The complex dynamic behaviors exhibited by this model are compared to those of another version of the same model, which has been studied in more detail. The two models show similarities, but also notable differences between them, e.g., the organization of mixed-mode oscillations in parameter space and the relative abundance of quasiperiodic and chaotic oscillations. In both models, domains with chaotic dynamics contain apparently disorganized subdomains of periodic attractors with dinoflagellate-like structures, while the domains with mainly quasiperiodic behavior contain subdomains with periodic attractors organized as regular filamentous structures. These periodic attractors seem to be organized according to Stern–Brocot arithmetics. Finally, it appears that toroidal (quasiperiodic) attractors develop into first wrinkled and then fractal tori before they break down to chaotic attractors.
Fully electrical controllable spin-orbit torque based half-adder
Authors: Han Xiang , Fan Yibo , Wang Dong , Wang Wei , Bai Lihui , Chen Yanxue , Yan Shishen , Tian Yufeng
Published: February 2023

A simple, reliable, and electrically controllable way to develop complementary spin–orbit logic devices is highly desired. In this work, controllable field-free spin–orbit torque (SOT) switching is demonstrated in the Pt/IrMn/Co/Ru/CoPt/CoO/MgO heterojunction at room temperature, which makes it an attractive building block for complementary spin logic. By applying current pulses along two orthogonal directions, both the in-plane exchange bias at the IrMn/Co interface and the perpendicular magnetization switching of the CoPt layer can be well controlled. Using this controllable SOT switching, multiple spin logic operations and a spin logic half-adder are obtained. These results indicate that controllable SOT switching could provide a potentially applicable way toward efficient spin logic and in-memory computing devices.
Long-term degradation of high molar mass poly(ethylene oxide) in a turbulent pilot-scale pipe flow
Authors: Müller H. W. , Brandfellner L. , Bismarck A.
Published: February 2023

The long-term drag reduction capability of poly(ethylene oxide) with a nominal molar weight of Mw=4×106 g/mol dissolved in water was investigated in a pilot-scale pipe flow device (inner diameter of test section 26 mm) at a Reynolds number of 105. A total loss of the initially high (75%) drag reduction capability was observed over a flow distance of several ∼10 km while the molar weight of the polymer was still Mw∼5×105 g/mol. Mechanical degradation in the turbulent flow as well as ageing of the polymer dissolved in water caused this loss in drag reduction capability. A simple ansatz of two independent, statistical polymer chain scission mechanisms was used to describe the polymer degradation empirically using a modified Brostow model. This empirical description was applied successfully and suggested that the polymer exhibited at least 15 cleavage points for mechanical degradation.
Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons
Authors: Moldabekov Zhandos A. , Lokamani Mani , Vorberger Jan , Cangi Attila , Dornheim Tobias
Published: February 2023

We assess the accuracy of common hybrid exchange-correlation (XC) functionals (PBE0, PBE0-1/3, HSE06, HSE03, and B3LYP) within the Kohn–Sham density functional theory for the harmonically perturbed electron gas at parameters relevant for the challenging conditions of the warm dense matter. Generated by laser-induced compression and heating in the laboratory, the warm dense matter is a state of matter that also occurs in white dwarfs and planetary interiors. We consider both weak and strong degrees of density inhomogeneity induced by the external field at various wavenumbers. We perform an error analysis by comparing with the exact quantum Monte Carlo results. In the case of a weak perturbation, we report the static linear density response function and the static XC kernel at a metallic density for both the degenerate ground-state limit and for partial degeneracy at the electronic Fermi temperature. Overall, we observe an improvement in the density response when the PBE0, PBE0-1/3, HSE06, and HSE03 functionals are used, compared with the previously reported results for the PBE, PBEsol, local-density approximation, and AM05 functionals; B3LYP, on the other hand, does not perform well for the considered system. Additionally, the PBE0, PBE0-1/3, HSE06, and HSE03 functionals are more accurate for the density response properties than SCAN in the regime of partial degeneracy.
An accurate and efficient Ehrenfest dynamics approach for calculating linear and nonlinear electronic spectra
Authors: Atsango Austin O. , Montoya-Castillo Andrés , Markland Thomas E.
Published: February 2023

Linear and nonlinear electronic spectra provide an important tool to probe the absorption and transfer of electronic energy. Here, we introduce a pure state Ehrenfest approach to obtain accurate linear and nonlinear spectra that is applicable to systems with large numbers of excited states and complex chemical environments. We achieve this by representing the initial conditions as sums of pure states and unfolding multi-time correlation functions into the Schrödinger picture. By doing this, we show that one can obtain significant improvements in accuracy over the previously used projected Ehrenfest approach and that these benefits are particularly pronounced in cases where the initial condition is a coherence between excited states. While such initial conditions do not arise when calculating linear electronic spectra, they play a vital role in capturing multidimensional spectroscopies. We demonstrate the performance of our method by showing that it is able to quantitatively capture the exact linear, 2D electronic spectroscopy, and pump–probe spectra for a Frenkel exciton model in slow bath regimes and is even able to reproduce the main spectral features in fast bath regimes.
Review of Scientific Instruments New Products
Authors: Mandelis Andreas
Published: February 2023

In order to supplement manufacturers’ information, this department will welcome the submission by our readers of brief communications reporting measurements on the physical properties of materials that supersede earlier data or suggest new research applications.
Breakdown of clonal cooperative architecture in multispecies biofilms and the spatial ecology of predation
Authors: Wucher Benjamin R. , Winans James B. , Elsayed Mennat , Kadouri Daniel E. , Nadell Carey D.
Published: February 2023

Biofilm formation, including adherence to surfaces and secretion of extracellular matrix, is common in the microbial world, but we often do not know how interaction at the cellular spatial scale translates to higher-order biofilm community ecology. Here we explore an especially understudied element of biofilm ecology, namely predation by the bacteriumBdellovibrio bacteriovorus. This predator can kill and consume many different Gram-negative bacteria, includingVibrio choleraeandEscherichia coli.V. choleraecan protect itself from predation within densely packed biofilm structures that it creates, whereasE. colibiofilms are highly susceptible toB. bacteriovorus. We explore how predator–prey dynamics change whenV. choleraeandE. coliare growing in biofilms together. We find that in dual-species prey biofilms,E. colisurvival underB. bacteriovoruspredation increases, whereasV. choleraesurvival decreases.E. colibenefits from predator protection when it becomes embedded within expanding groups of highly packedV. cholerae. But we also find that the ordered, highly packed, and clonal biofilm structure ofV. choleraecan be disrupted ifV. choleraecells are directly adjacent toE. colicells at the start of biofilm growth. When this occurs, the two species become intermixed, and the resulting disordered cell groups do not block predator entry. Because biofilm cell group structure depends on initial cell distributions at the start of prey biofilm growth, the surface colonization dynamics have a dramatic impact on the eventual multispecies biofilm architecture, which in turn determines to what extent both species survive exposure toB. bacteriovorus.
Synergy of crystallinity modulation and intercalation engineering in carbon nitride for boosted H
2
O
2
photosynthesis
Authors: Liu Lian-Lian , Chen Fei , Wu Jing-Hang , Chen Jie-Jie , Yu Han-Qing
Published: February 2023

Photosynthesis of hydrogen peroxide (H
2
O
2
) by selective oxygen reduction is a green and cost-effective alternative to the energy-intensive anthraquinone process. Although inexpensive polymeric graphitic carbon nitride (g-C
3
N
4
) exhibits the ability to produce H
2
O
2
, its disordered and amorphous structure leads to a high recombination rate of photogenerated carriers and hinders charge transfer between layers. Herein, we predict that stacked polymeric g-C
3
N
4
with ion intercalation (K
+
and I
–
) can improve carrier separation and transfer by multiscale computational simulations. The electronic structures of g-C
3
N
4
were tailored and modified by intercalating K
+
and I
–
into the layer-by-layer structures. Guided by the computational predictions, we achieved efficient solar-driven H
2
O
2
production by employing this facile and ion-intercalated crystalline g-C
3
N
4
. An H
2
O
2
production rate of 13.1 mM g
−1
h
−1
and an apparent quantum yield of 23.6% at 400 nm were obtained. The synergistic effects of crystallinity regulation and dual interstitial doping engineering triggered the formation of new light absorption centers, the establishment of rapid charge diffusion channels, and the enhancement of two-electron oxygen reduction characteristics. This work sheds light on the dual tuning of crystallinity and electronic structure and broadens the design principles of organic-conjugated polymer photocatalysts for environmental remediation and energy conservation.
The marionette mechanism of domain–domain communication in the antagonist, agonist, and coactivator responses of the estrogen receptor
Authors: Chen Xun , Jin Shikai , Chen Mingchen , Bueno Carlos , Wolynes Peter G.
Published: February 2023

The human estrogen receptor
α
(hER
α
) is involved in the regulation of growth, development, and tissue homeostasis. Agonists that bind to the receptor’s ligand-binding domain (LBD) lead to recruitment of coactivators and the enhancement of gene expression. In contrast, antagonists bind to the LBD and block the binding of coactivators thus decreasing gene expressions. In this work, we carry out simulations using the AWSEM (Associative memory, Water mediated, Structure and Energy Model)-Suite force field along with the 3SPN.2C force field for DNA to predict the structure of hER
α
and study its dynamics when binding to DNA and coactivators. Using simulations of antagonist-bound hER
α
and agonist-bound hER
α
by themselves and also along with bound DNA and coactivators, principal component analyses and free energy landscape analyses capture the pathway of domain–domain communication for agonist-bound hER
α
. This communication is mediated through the hinge domains that are ordinarily intrinsically disordered. These disordered segments manipulate the hinge domains much like the strings of a marionette as they twist in different ways when antagonists or agonists are bound to the ligand-binding domain.
Microfluidic study of retention and elimination of abnormal red blood cells by human spleen with implications for sickle cell disease
Authors: Qiang Yuhao , Sissoko Abdoulaye , Liu Zixiang L. , Dong Ting , Zheng Fuyin , Kong Fang , Higgins John M. , Karniadakis George E. , Buffet Pierre A. , Suresh Subra , Dao Ming
Published: February 2023

The spleen clears altered red blood cells (RBCs) from circulation, contributing to the balance between RBC formation (erythropoiesis) and removal. The splenic RBC retention and elimination occur predominantly in open circulation where RBCs flow through macrophages and inter-endothelial slits (IESs). The mechanisms underlying and interconnecting these processes significantly impact clinical outcomes. In sickle cell disease (SCD), blockage of intrasplenic sickled RBCs is observed in infants splenectomized due to acute splenic sequestration crisis (ASSC). This life-threatening RBC pooling and organ swelling event is plausibly triggered or enhanced by intra-tissular hypoxia. We present an oxygen-mediated spleen-on-a-chip platform for in vitro investigations of the homeostatic balance in the spleen. To demonstrate and validate the benefits of this general microfluidic platform, we focus on SCD and study the effects of hypoxia on splenic RBC retention and elimination. We observe that RBC retention by IESs and RBC–macrophage adhesion are faster in blood samples from SCD patients than those from healthy subjects. This difference is markedly exacerbated under hypoxia. Moreover, the sickled RBCs under hypoxia show distinctly different phagocytosis processes from those non-sickled RBCs under hypoxia or normoxia. We find that reoxygenation significantly alleviates RBC retention at IESs, and leads to rapid unsickling and fragmentation of the ingested sickled RBCs inside macrophages. These results provide unique mechanistic insights into how the spleen maintains its homeostatic balance between splenic RBC retention and elimination, and shed light on how disruptions in this balance could lead to anemia, splenomegaly, and ASSC in SCD and possible clinical manifestations in other hematologic diseases.