bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis of pyrimidine-6-carbonitriles, pyrimidin-5-ones, and tetrahydroquinoline-3-carbonitriles by new superb oxovanadium(V)-[5,10,15,20-tetrakis(pyridinium)-porphyrinato]-tetra(tricyanomethanide) catalyst via anomeric based oxidation
Authors: Dashteh Mohammad , Makhdoomi Sajjad , Baghery Saeed , Zolfigol Mohammad Ali , Khazaei Ardeshir , Gu Yanlong
Published: November 2022

Oxovanadium(V)-[5,10,15,20-tetrakis(pyridinium)-porphyrinato]-tetra(tricyanomethanide) [(VO)TPP][(TCM)4] was designed, synthesized and characterized by various techniques such as FT-IR, EDX, SEM equipped with EDX mappings, CHN elemental analysis, ICP-OES, XRD, SEM, TEM, TGA, DTA, DRS, Kubelka–Munk function (Tauc’s plot), and UV–Vis analyses. Then, [(VO)TPP][(TCM)4] was used as a benign and expedient catalyst for the synthesis of numerous heterocyclic compounds such as 5-amino-7-(aryl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitriles, 5-amino-7-(aryl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitriles, 7-(aryl)-7,12-dihydro-5H-isochromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-5-ones, and 4-(aryl)-2-(1H-indol-3-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitriles under solvent-free conditions at 100 °C via a cooperative geminal-vinylogous anomeric based oxidation.
Review of the referral documents of patients with malignant soft tissue tumors
Authors: Hoshi Manabu , Oebisu Naoto , Iwai Tadashi , Shimatani Akiyoshi , Ban Yoshitaka , Takada Naoki , Yao Hana , Nakamura Hiroaki
Published: November 2022

Fifteen years have passed since the soft tissue tumor practice guidelines were first published in Japan. Tumor size of ≥ 5 cm and tumor depth were key findings suggestive of malignant soft tissue tumors. We reviewed the referral documents provided by the referring physicians to see if these two findings were reported. The study was conducted from January 2007 to December 2021 and included 142 patients (83 men and 59 women; median age, 64 [6–94] years) with malignant soft tissue tumors. Patient referral documents from physicians were screened for descriptions of the tumor size and depth. The tumor size, depth, and both were described in 51.4%, 36.6%, and 23.2% of the referrals, respectively. Both findings were mentioned in 23.8%, 21.7%, and 25.0% of referrals in 2007–2011, 2012–2016, and 2017–2021, respectively. Of orthopedic surgeons and other physicians, 61.2% and 38.6%, respectively, described the tumor size. Whether the general physicians could follow the soft tissue tumor practice guidelines was difficult to conclude by reviewing patient referral documents. However, orthopedic surgeons seemed to pay more attention to tumor size. Awareness regarding soft tissue tumor practice guidelines should be increased to help diagnose malignant soft tissue tumors early.
Evaluate the photosynthesis and chlorophyll fluorescence of Epimedium brevicornu Maxim
Authors: Zaiyou Jian , Xiaomin Tang , Hongsheng Wang , Guifang Xu
Published: November 2022

The diurnal variation of photosynthesis, light response curve and CO2 response curve in Epimedium brevicornu Maxim leaves were determined with Li-6400 photosynthesis system to evaluate the photosynthesis of E. brevicornu. Fluorescence of chlorophyll in the leaves were determined with PAM-2500 portable chlorophyll fluorescence apparatus in the study. The results showed that the midday depression of photosynthesis was very obvious in the E. brevicornu leaves. The light compensation point of E. brevicornu leaves was about 15 µmol m−2 s−1. The light saturation point of E. brevicornu leaves was below 800 µmol m−2 s−1, which was lower than the general sunlight intensity at noon in summer. The CO2 saturation point of E. brevicornu leaves was much higher than the content of CO2 in general air. E. brevicornu was a typical shade plant and could survive in very low sunlight. E. brevicornu could not endure strong sunlight and high air temperature. The net photosynthetic rate of E. brevicornu leaves linearly correlated with the content of CO2 in the leaf chamber when the content was below CO2 saturation point. E. brevicornu possessed great potential of photosynthesis.
A globally distributed durophagous marine reptile clade supports the rapid recovery of pelagic ecosystems after the Permo-Triassic mass extinction
Authors: Qiao Yu , Liu Jun , Wolniewicz Andrzej S. , Iijima Masaya , Shen Yuefeng , Wintrich Tanja , Li Qiang , Sander P. Martin
Published: November 2022

Marine ecosystem recovery after the Permo-Triassic mass extinction (PTME) has been extensively studied in the shallow sea, but little is known about the nature of this process in pelagic ecosystems. Omphalosauridae, an enigmatic clade of open-water durophagous marine reptiles, potentially played an important role in the recovery, but their fragmentary fossils and uncertain phylogenetic position have hindered our understanding of their role in the process. Here we report the large basal ichthyosauriform Sclerocormus from the Early Triassic of China that clearly demonstrates an omphalosaurid affinity, allowing for the synonymy of the recently erected Nasorostra with Omphalosauridae. The skull also reveals the anatomy of the unique feeding apparatus of omphalosaurids, likely an adaptation for feeding on hard-shelled pelagic invertebrates, especially ammonoids. Morphofunctional analysis of jaws shows that omphalosaurids occupy the morphospace of marine turtles. Our discovery adds another piece of evidence for an explosive radiation of marine reptiles into the ocean in the Early Triassic and the rapid recovery of pelagic ecosystems after the PTME.
Disentangling five dimensions of animacy in human brain and behaviour
Authors: Jozwik Kamila M. , Najarro Elias , van den Bosch Jasper J. F. , Charest Ian , Cichy Radoslaw M. , Kriegeskorte Nikolaus
Published: November 2022

Distinguishing animate from inanimate things is of great behavioural importance. Despite distinct brain and behavioural responses to animate and inanimate things, it remains unclear which object properties drive these responses. Here, we investigate the importance of five object dimensions related to animacy (“being alive”, “looking like an animal”, “having agency”, “having mobility”, and “being unpredictable”) in brain (fMRI, EEG) and behaviour (property and similarity judgements) of 19 participants. We used a stimulus set of 128 images, optimized by a genetic algorithm to disentangle these five dimensions. The five dimensions explained much variance in the similarity judgments. Each dimension explained significant variance in the brain representations (except, surprisingly, “being alive”), however, to a lesser extent than in behaviour. Different brain regions sensitive to animacy may represent distinct dimensions, either as accessible perceptual stepping stones toward detecting whether something is alive or because they are of behavioural importance in their own right.
Transfer of cannabinoids into the milk of dairy cows fed with industrial hemp could lead to Δ9-THC exposure that exceeds acute reference dose
Authors: Wagner Bettina , Gerletti Pietro , Fürst Peter , Keuth Oliver , Bernsmann Thorsten , Martin Annett , Schäfer Bernd , Numata Jorge , Lorenzen Marc C. , Pieper Robert
Published: November 2022

The industrial hemp sector is growing and, in recent years, has launched many novel hemp-derived products, including animal feed. It is, however, unclear to what extent individual cannabinoids from industrial hemp transfer from the feed into products of animal origin and whether they pose a risk for the consumer. Here we present the results of a feeding experiment with industrial hemp silage in dairy cows. Hemp feeding included changes in feed intake, milk yield, respiratory and heart rates, and behaviour. We combined liquid chromatography–tandem mass spectrometry-based analyses and toxicokinetic computer modelling to estimate the transfer of several cannabinoids (Δ9-tetrahydrocannabinol (Δ9-THC), Δ8-THC, Δ9-tetrahydrocannabinolic acid, Δ9-tetrahydrocannabivarin, 11-OH-Δ9-THC, 11-nor-9-carboxy-Δ9-THC, cannabidiol, cannabinol and cannabidivarin) from animal feed to milk. For Δ9-THC, which has a feed-to-milk transfer rate of 0.20% ± 0.03%, the acute reference dose for humans was exceeded in several consumer groups in exposure scenarios for milk and dairy product consumption when using industrial hemp to feed dairy cows.
Sub-volt switching of nanoscale voltage-controlled perpendicular magnetic tunnel junctions
Authors: Shao Yixin , Lopez-Dominguez Victor , Davila Noraica , Sun Qilong , Kioussis Nicholas , Katine Jordan A. , Khalili Amiri Pedram
Published: November 2022

Magnetic random-access memory (MRAM) based on voltage-controlled magnetic anisotropy in magnetic tunnel junctions (MTJs) is a promising candidate for high-performance computing applications, due to its lower power consumption, higher bit density, and the ability to reduce the access transistor size when compared to conventional current-controlled spin-transfer torque MRAM. The key to realizing these advantages is to have a low MTJ switching voltage. Here, we report a perpendicular MTJ structure with a high voltage-controlled magnetic anisotropy coefficient ~130 fJ/Vm and high tunnel magnetoresistance exceeding 150%. Owing to the high voltage-controlled magnetic anisotropy coefficient, we demonstrate sub-nanosecond precessional switching of nanoscale MTJs with diameters of 50 and 70 nm, using a voltage lower than 1 V. We also show scaling of this switching mechanism down to 30 nm MTJs, with voltages close to 2 V. The results pave the path for the future development and application of voltage-controlled MRAMs and spintronic devices in emerging computing systems.
Biomass Burning in Southeast Asia and Influences on Atmospheric Nanoparticles
Authors: Dejchanchaiwong Racha , Tekasakul Perapong , Morris John , Ingviya Thammasin , Latif Mohd Talib , Amil Norhaniza , Hata Mitsuhiko , Furuuchi Masami , Dominick Doreena , Malinee Rachane
Published: November 2022

Rapid economic growth has led to increasing air pollution in Southeast Asia (SEA). Urbanization, industrialization and open biomass burning all lead to deteriorating air quality. Recent advances allow recording, sampling and analyzing ultrafine particles, or nanoparticles, finer than the already extensively reported PM2.5 particles; these nanoparticles have been shown to be a potentially more significant health hazard – causing cardiovascular and respiratory diseases, since they can penetrate further into our bodies. Analysis of the collected particles allows, in turn, identifying sources. Although vehicle emissions generally dominate nanoparticles, biomass generates a significant proportion in the burning seasons. In Malaysia, the number of particles smaller than 50 nm dominate, but, by mass, PM0.1 accounts for ∼15% of PM2.5 in upper SEA, and ∼18% in lower SEA. Sampling compared normal periods, where ratios of organic to elemental carbon and char to soot elemental carbon indicated that vehicle exhaust dominates. However, in haze periods, increased char to soot elemental carbon ratios indicate strong contributions from biomass burning. In lower SEA severe haze periods, polycyclic aromatic hydrocarbon levels are 3–8 times higher than in normal periods, confirming the sources as peatland fires in Indonesia. Open biomass burning clearly contributes a significant portion of PM0.1 during SEA haze periods. Further PM0.1 studies are needed to better understand sources, transport and influences on human health to identify suitable measures to solve the problem sustainably.
Imaging of Nanopollutants at Sub-cellular Resolution by Nanoscale Secondary Ion Mass Spectrometry
Authors: Subirana Maria Angels , Schaumlöffel Dirk
Published: November 2022

Nanoscale secondary ion mass spectrometry (NanoSIMS) is an analytical imaging technique dedicated to the mapping of the elemental composition on the surface of a solid sample. The distinguishing features of this techniques make it especially convenient for the analysis of nanopollutants in the environment: the possibility to focus its scanning ion beam into a spot size equal or lower than 50 nm makes it adequate to investigate nano-sized objects, and the high sensitivity of its mass spectrometer enables the analysis of pollutants at trace concentrations. The main strength of the technique is the capacity for the localisation of these nanopollutants, including their subcellular distribution, down to an organelle level. Adequate sample preparation strategies permit the analysis of nanopollutants in a variety of media such as soils, food and organisms, including in vivo and in vitro. To date, a limited number of studies have used NanoSIMS in the field of environmental science, with most works focusing on metal nanoparticles, and especially the imaging of silver nanoparticles in aquatic organisms. Yet, the NanoSIMS applications are expected to continue growing in the following years with further developments in the instrument and novel fields.
Theoretical and practical aspects of indirect spin–spin couplings
Authors: Jaźwiński Jarosław
Published: November 2022

Indirect spin–spin coupling constants J, and chemical shifts δ, are the most significant parameters in nuclear magnetic resonance spectroscopy, providing insight into the structure of chemical compounds. The survey gathered various aspects of indirect spin–spin coupling constants, calculation methods, application to organic molecules and compounds containing metal atoms, and measurements in the solid state. The review covers the period from May 2021 to April 2022 and includes some work omitted previously.
Advances in NMR spectroscopy of small molecules in solution
Authors: Reynolds William F. , Burns Darcy C.
Published: November 2022

This chapter discusses advances in small molecule NMR in solution and covers articles from 2020 or 2021. After a short introduction, the second, major, section covers the determination of three-dimensional structures of organic molecules in solution. New methods for acquiring and interpreting residual dipolar coupling and residual chemical shift anisotropies are discussed, along with new orienting media to measure these parameters. The use of density functional theory calculations to aid in 3D structure elucidation is covered. Several new machine learning and artificial intelligence programs that aid in identifying unknown compounds are described. The third section covers pulse sequence developments and means of more rapid data acquisition. Using sequential and/or simultaneous acquisition of two to ten spectra in a single experiment is featured. Discussion of non-uniform sampling mainly focuses on choices for acquiring and processing NUS data sets. The fourth section covers developments in benchtop NMR spectrometers, including hardware improvements, methods for overcoming their limited sensitivity and real-life applications of these spectrometers. The final section covers the use of NMR for investigating complex mixtures, including programs designed to identify individual components in natural product mixtures.
NMR in living systems
Authors: Prior M. J. W.
Published: November 2022

This chapter reviews studies published during the period of May 2021 to April 2022 that have applied magnetic resonance spectroscopy to investigate processes occurring in living systems. In Section 1, new hardware, acquisition methods and analytical processes that are applicable to in vivo investigations are presented. Studies in pre-clinical models and the clinical environment are surveyed in Sections 2 and 3 respectively. The review in these two latter sections is subdivided into physiological categories, with each of these sub-divided according to the category of disease or the type of metabolic investigation.
Highly electrophilic silver carbenes
Authors: Zhang Xiaolong , Li Linxuan , Sivaguru Paramasivam , Zanoni Giuseppe , Bi Xihe
Published: November 2022

This article discusses recent advances in silver-carbene transfer reactions fromN-sulfonylhydrazones, including (i) C–H insertion; (ii) C(O)–C insertion; (iii) cycloaddition; (iv) defluorinative functionalization reaction; and (v) asymmetric reactions.
Phosphaacene as a structural analogue of thienoacenes for organic semiconductors
Authors: Matsuo Kyohei , Okumura Rina , Hayashi Hironobu , Aratani Naoki , Jinnai Seihou , Ie Yutaka , Saeki Akinori , Yamada Hiroko
Published: November 2022

The charge transport properties of a polycyclic aromatic compound containing λ3-phosphinine was evaluated, demonstrating the potential of low-coordinate phosphorus compounds as organic semiconductors.
Construction of dual active sites for efficient alkaline hydrogen evolution: single-metal-atoms supported on BC2N monolayers
Authors: Kong Weichao , Xu Jing , Tong Yanfu , Ding Yanping , Wang Jiajun , Li Bingyu , Wei Xing , Zhao Lianming
Published: November 2022

Ni@BC2N shows an excellent electrocatalytic performance towards the hydrogen evolution reaction in alkaline media.
Comparison of contribution to phase boundary from A-site aliovalent dopants in high-performance KNN-based ceramics
Authors: Zhao Lin , Wu Wenjuan , Zhao Chunlin , Wu Bo , Ma Jian , Tao Hong
Published: November 2022

Different influence of A-site aliovalent dopants, Bi3+ and Ca2+, on phase boundary and electrical properties in KNN-based ceramics.
Seawater-degradable, tough, and fully bio-derived nonwoven polyester fibres reinforced with mechanically defibrated cellulose nanofibres
Authors: Yamagata Miyu , Nagakawa Yoshiyasu , Irie Mizuki , Suye Shin-ichiro , Fujita Satoshi
Published: November 2022

PHBH incorporated with cellulose nanofibers was fabricated as a completely bio-derived bioplastic with high seawater degradability and mechanical properties by electrospinning Pickering emulsions.
The effects of emerging contaminants on the behaviour of Acinetobacter calcoaceticus derived from biofilms
Authors: Pinto Isabel Chio , Simões Manuel , Gomes Inês Bezerra
Published: November 2022

Knowledge regarding the ecotoxicological effects of emerging contaminants (EC) in drinking water distribution system (DWDS) microbiota is limited.
Performance of the solar/peroxymonosulfate process in (waste)water treatment: abatement of micropollutants, roles of reactive oxygen species, and formation of disinfection by-products
Authors: Tan Chaoqun , Shen Ying , Jian Xinchi , Xu Suqian , Deng Lin , He Huan , Min Xinhua , Chen Ming
Published: November 2022

This study investigated the effectiveness of peroxymonosulfate (PMS) as an oxidative agent in micro-contaminant removal with activation via simulated solar irradiation (Xe-lamp, emission spectrum ranging from 300 to 800 nm).
Direct carbonate electrolysis into pure syngas
Authors: Xiao Yurou Celine , Gabardo Christine M. , Liu Shijie , Lee Geonhui , Zhao Yong , O’Brien Colin P. , Miao Rui Kai , Xu Yi , Edwards Jonathan P. , Fan Mengyang , Huang Jianan Erick , Li Jun , Papangelakis Panagiotis , Alkayyali Tartela , Sedighian Rasouli Armin , Zhang Jinqiang , Sargent Edward H. , Sinton David
Published: November 2022

In a direct carbonate electrolysis system, a CO2 diffusion layer enabled the production of CO-rich syngas.
In situ detection of neodymium isotopes using tunable diode laser absorption spectroscopy for nuclear forensic analysis
Authors: Choi Sung-Uk , Han Sol-Chan , Yun Jong-Il
Published: November 2022

As evidence for tracing the history of nuclear materials, in situ detection of neodymium isotopes using tunable diode laser absorption spectroscopy (TDLAS) was investigated.
An ordered one-step colorimetric sensor for the selective determination of catechol based on the polyacrylic acid-coated cerium oxide with laccase-like activity
Authors: Jiang Xiaoyan , Wang Min , Hou Li , Lin Tianran
Published: November 2022

A sensitive colorimetric sensor was constructed for an ordered and one-step determination of catechol based on PAA-CeO2 with a significant laccase-like activity.
A durable heterogeneous catalyst for photoinduced controlled radical polymerization under white LED light irradiation in an aqueous solution
Authors: Yu Chenhan , Feng Xinyi , Li Qiuyu , Peng Jiahui , Xiang Yu , Song Yanting , Feng Haoyu , Huang Yunye , Xiao Longqiang , Hou Linxi
Published: November 2022

An ionic heterogeneous catalyst, TD-I, was developed for the RCMP of PPEGMA in aqueous solution under white LED irradiation.
A β-d-glucose pentaacetate derivative as an efficient phase selective gelator for oil spill recovery
Authors: Huang Gang-Ren , Shi Xue-Wen , Wu Ya-Min , Cao Ban-Peng , Okamoto Hiroaki , Xiao Qiang
Published: November 2022

After simply filtering and evaporating, the recovery rates of compound 1 and mineral oil are 81% and 93%, respectively.
Discovery, bioactivity and biosynthesis of fungal piperazines
Authors: Wang Rui , Piggott Andrew M. , Chooi Yit-Heng , Li Hang
Published: November 2022

Fungi are prolific producers of piperazine alkaloids, with more than 90 examples isolated to date. This review summarises the current knowledge of the discovery, classification, bioactivity and biosynthesis of fungal piperazines up to July of 2022.
PtI4-catalyzed oxidative and hydrogenative dearomative [3 + 2] cycloaddition of 1H-indoleN-tetheredo-alkynylbenzaldehydes
Authors: Shang Dandan , Hu Rui , Bao Qing , Chen Jichao , Yu Lei , Chan Philip Wai Hong , Rao Weidong
Published: November 2022

A method for the chemodivergent assembly of a diverse range of cyclohepta[b]indolines which relies on PtI4-catalyzed oxidative and hydrogenative dearomative [3 + 2] cycloaddition of 1H-indoleN-tetheredo-alkynylbenzaldehydes is described.
Across different instruments about tobacco quantitative analysis model of NIR spectroscopy based on transfer learning
Authors: Shen Huanchao , Geng Yingrui , Ni Hongfei , Wang Hui , Wu Jizhong , Hao Xianwei , Tie Jinxin , Luo Yingjie , Xu Tengfei , Chen Yong , Liu Xuesong
Published: November 2022

An instance transfer learning algorithm has been proposed based on weighted ELM to construct NIR quantitative analysis models across different instruments for tobacco.
Room temperature synthesis of pillared-layer metal–organic frameworks (MOFs)
Authors: Habtemariam Tesfaye Haile , Raju V. J. T. , Chebude Yonas
Published: November 2022

A strategy for the production of water stable pillared-layer MOFs in less toxic solvents and potentially in large amounts.
Impact of the choice of buffer on the electrochemical reduction of Cr(vi) in water on carbon electrodes
Authors: Stern Callie M. , Meche Devin D. , Elgrishi Noémie
Published: November 2022

The nature of the buffer influences the PCET step gating Cr(vi) reduction in water at pH 4.75, as well as the extent of deposition on carbon electrodes. Electrode activity is recovered without polishing, through a simple acid wash step.
Optimization of external (in air) particle induced gamma-ray emission (PIGE) methodology for rapid, non-destructive, and simultaneous quantification of fluorine, sodium, and phosphorus in nuclear waste immobilization matrices
Authors: Samanta S. K. , Das P. , Sengupta A. , Acharya R.
Published: November 2022

External (in air) PIGE methodology has been optimized for rapid quantification of fluorine, sodium, and phosphorus in fluorapatite waste immobilization matrices for Molten Salt Reactor (MSR).
Polysulfide shuttle mitigation through a tailored separator for critical temperature energy-dense lithium–sulfur batteries
Authors: Parekh Mihit H. , Rao Harsha , Jokhakar Deep , Parikh Vihang P. , Palanisamy Manikandan , Pol Vilas G.
Published: November 2022

Tailored separator consisting of graphene–polydopamine coatings on polypropylene to enhance the performance of Li–S batteries by tackling sulfur conductivity, polysulfide shuttling, and lithium dentritic growth issues.
Utilizing MOF precursors toward one-step, calcination-free synthesis of MnO2 superstructures for superior lithium storage
Authors: Fan Yang , Luo Deli , Wu Yan , Peng Tianlang , Qi Qi , Han Xubing , Zhou Jinxin , Wang Yanling , Lin Bao , Xiong Qinqin , Yuan Yongjun , Qin Haiying , Hu Xiaoshi
Published: November 2022

A facile one-step, calcination-free strategy involving metal–organic framework templates was developed for synthesis of MnO2 superstructure with superior lithium storage properties, offering considerable advantages over the conventional thermal method.
Alkaline hydrogel electrolyte from biosourced chitosan to enhance the rate capability and energy density of carbon-based supercapacitors
Authors: Zallouz Sirine , Le Meins Jean-Marc , Matei Ghimbeu Camélia
Published: November 2022

A green biodegradable hydrogel electrolyte was developed from chitosan biopolymer and KOH. This allows one to increase the energy density of carbon-based supercapacitors and to prevent the electrode degradation and current collector corrosion.
Creating and sensing asymmetric lipid distributions throughout the cell
Authors: Drin Guillaume
Published: November 2022

A key feature of eukaryotic cells is the asymmetric distribution of lipids along their secretory pathway. Because of the biological significance of these asymmetries, it is crucial to define the mechanisms which create them. Extensive studies have led to the identification of lipid transfer proteins (LTPs) that work with lipid-synthesizing enzymes to carry lipids between two distinct membranes in a directional manner, and are thus able to create asymmetries in lipid distribution throughout the cell. These networks are often in contact sites where two organelle membranes are in close proximity for reasons we have only recently started to understand. A question is whether these networks transfer lipids en masse within the cells or adjust the lipid composition of organelle membranes. Finally, recent data have confirmed that some networks organized around LTPs do not generate lipid asymmetries between membranes but sense them and rectify the lipid content of the cell.
A liquid crystal world for the origins of life
Authors: Jia Tony Z. , Bellini Tommaso , Clark Noel , Fraccia Tommaso P.
Published: November 2022

Nucleic acids (NAs) in modern biology accomplish a variety of tasks, and the emergence of primitive nucleic acids is broadly recognized as a crucial step for the emergence of life. While modern NAs have been optimized by evolution to accomplish various biological functions, such as catalysis or transmission of genetic information, primitive NAs could have emerged and been selected based on more rudimental chemical–physical properties, such as their propensity to self-assemble into supramolecular structures. One such supramolecular structure available to primitive NAs are liquid crystal (LC) phases, which are the outcome of the collective behavior of short DNA or RNA oligomers or monomers that self-assemble into linear aggregates by combinations of pairing and stacking. Formation of NA LCs could have provided many essential advantages for a primitive evolving system, including the selection of potential genetic polymers based on structure, protection by compartmentalization, elongation, and recombination by enhanced abiotic ligation. Here, we review recent studies on NA LC assembly, structure, and functions with potential prebiotic relevance. Finally, we discuss environmental or geological conditions on early Earth that could have promoted (or inhibited) primitive NA LC formation and highlight future investigation axes essential to further understanding of how LCs could have contributed to the emergence of life.
A Tale of Two Susceptibilities: Cisplatin Ototoxicity Variability in Similar Patients
Authors: Custer Amy
Published: November 2022

Purpose:

There are well-known risk factors that contribute to cisplatin-induced ototoxicity. The purpose of this clinical focus article is to highlight differences in susceptibility to cisplatin-induced ototoxicity for patients with similar risk factors.

Method:

Case examples are described to illustrate the variability in audiologic outcomes following treatment for two patients with similar demographic factors and similar risk factors for cisplatin ototoxicity who received nearly the same treatment for the same type of cancer.

Conclusions:

Before cisplatin treatment, both patients exhibited normal hearing thresholds and denied tinnitus. Following completion of treatment, one patient experienced minimal ototoxic effects in the form of an American Speech-Language-Hearing Association (1994) significant threshold shift for the extended high frequencies above 8000 Hz for the right ear. The other patient experienced severe ototoxic effects in the form of a NCI CTCAE v5.0 Grade 3 change in hearing status and bilateral tinnitus. Possible contributors to the difference in cisplatin ototoxicity susceptibility include a difference in baseline cochlear health, a difference in genetic predisposition for cisplatin ototoxicity, or other individualized susceptibilities. Though the established risk factors serve as an informative guide, they are not intended to predict each patient's audiologic outcome or determine which patients to include in an ototoxicity monitoring program. Therefore, all patients who receive cisplatin should be enrolled in a cisplatin ototoxicity monitoring program so that any changes in hearing can be detected as early as possible.
FAFEnet: A fast and accurate model for automatic license plate detection and recognition
Authors: Zhou Xin , Cheng Yao , Jiang Liling , Ning Bo , Wang Yanhao
Published: November 2022

Automatic License Plate detection and Recognition (ALPR) is a key problem in intelligent transportation systems with wide applications in traffic monitoring, electronic toll collection (ETC), intelligent parking lots (IPLs), and elsewhere. Although numerous methods have been proposed in the literature, it is still challenging to strike a good balance between the accuracy and efficiency of ALPR. In this paper, a novel end‐to‐end CNN‐based model is proposed, called Fast and Accurate Network with Feature Enhancement (FAFEnet), to jointly detect the license plates and recognize the characters with high accuracy and efficiency. Specifically, the FAFEnet model seamlessly integrates two CNN‐based models, namely the detection and recognition modules, into a unified framework to reduce accumulated errors and computational overheads in two separate steps. The detection module is a lightweight model with only seven convolutional layers yet achieves over 99.8% accuracy rates for license plate detection across all datasets. The recognition module utilizes two feature enhancement blocks to compensate and enhance the shallow character features extracted by the detection module. Furthermore, the joint optimization of detection and recognition modules exploits the feature association in two modules, and thus improves the prediction accuracy while reducing the execution time. Finally, extensive experimental results on several real‐world datasets demonstrate that FAFEnet outperforms all the competitors in terms of both accuracy and efficiency.
Behandlungsalternativen für sakrale Chordome
Authors: Kalasauskas Darius , Ringel Florian
Published: November 2022

Chordome sind primäre maligne ossäre Tumoren und gehören zu den häufigsten Tumorarten im Sakrum. Die operative Tumorresektion und Radiotherapie sind die Eckpfeiler der Chordomtherapie des Sakrums. Eine komplette Resektion ohne Eröffnen der Tumorkapsel (en bloc Resektion) ist mit der besten Überlebensprognose assoziiert, führt jedoch in einigen Fällen zu einer hohen operativen Morbidität. In diesem Übersichtsartikel beschreiben wir das klinische Krankheitsbild, die Diagnostik, aktuelle Behandlungsalternativen und die wichtigsten entscheidungsrelevanten Faktoren dieser komplexen Tumorerkrankung.
Ion core effect on transport characteristics in warm dense matter
Authors: Ramazanov T. S. , Issanova M. K. , Aldakul Ye. K. , Kodanova S. K.
Published: November 2022

An effective potential approach in combination with the molecular dynamics (MD) method was used to study the effect of the ionic core on the transport properties of ions in the warm dense matter regime. As an example, we considered shocked silicon. The results of MD simulations within microcanonical ensemble were analyzed by computing the mean squared displacement (MSD) and the velocity autocorrelation function (VAF) of particles. The MSD and VAF are used to compute the diffusion coefficient of ions. The results are compared with the data computed neglecting the ion core effect. It is found that the ion core effect leads to a significant decrease in the diffusion coefficient. Additionally, we computed the viscosity coefficient of ions using the Green–Kubo relation connecting viscosity and the stress autocorrelation function. It is revealed that the ion core effect can cause increase or reduction of the viscosity coefficient depending on the strength of inter-ionic coupling.
A wide-angle X-ray scattering laboratory setup for tracking phase changes of thin films in a chemical vapor deposition chamber
Authors: Vegso Karol , Shaji Ashin , Sojková Michaela , Slušná Lenka Príbusová , Vojteková Tatiana , Hrdá Jana , Halahovets Yuriy , Hulman Martin , Jergel Matej , Majková Eva , Wiesmann Jörg , Šiffalovič Peter
Published: November 2022

The few-layer transition metal dichalcogenides (TMD) are an attractive class of materials due to their unique and tunable electronic, optical, and chemical properties, controlled by the layer number, crystal orientation, grain size, and morphology. One of the most commonly used methods for synthesizing the few-layer TMD materials is the chemical vapor deposition (CVD) technique. Therefore, it is crucial to develop in situ inspection techniques to observe the growth of the few-layer TMD materials directly in the CVD chamber environment. We demonstrate such an in situ observation on the growth of the vertically aligned few-layer MoS2 in a one-zone CVD chamber using a laboratory table-top grazing-incidence wide-angle X-ray scattering (GIWAXS) setup. The advantages of using a microfocus X-ray source with focusing Montel optics and a single-photon counting 2D X-ray detector are discussed. Due to the position-sensitive 2D X-ray detector, the orientation of MoS2 layers can be easily distinguished. The performance of the GIWAXS setup is further improved by suppressing the background scattering using a guarding slit, an appropriately placed beamstop, and He gas in the CVD reactor. The layer growth can be monitored by tracking the width of the MoS2 diffraction peak in real time. The temporal evolution of the crystallization kinetics can be satisfactorily described by the Avrami model, employing the normalized diffraction peak area. In this way, the activation energy of the particular chemical reaction occurring in the CVD chamber can be determined.
Modeling ablator grain structure impacts in ICF implosions
Authors: Davidovits S. , Weber C. R. , Clark D. S.
Published: November 2022

High-density carbon is a leading ablator material for inertial confinement fusion (ICF). This and some other ablator materials have grain structure which is believed to introduce very small-scale (∼nm) density inhomogeneity. In principle, such inhomogeneity can affect key ICF metrics like fuel compression and yield, by, for example, acting as a seed for instabilities and inducing mix between ablator and fuel. However, assessments of such effects are uncertain due to the difficulty of modeling this small-scale structure in ICF simulations, typically requiring reduced-resolution modeling that scales these features. We present a grain model and show both the impact of de-resolving grains and the complex mixing dynamics such structures can induce. We find that different methods for de-resolving grains can yield both different total deposition of kinetic energy perturbations and different fuel–ablator mixing. We then show a simple-to-implement approach for approximately conserving the deposition of perturbed kinetic energy and demonstrate that, for the present grain model and test cases, this approach yields a reasonably matched time history of mix width between less and more resolved grain models. The simulations here also demonstrate the complex interaction history between grain-induced mixing and instability around the fuel–ablator interface, showing, for example, that the grain-induced perturbations typically trigger instability of conduction-driven density gradients in the DT fuel, enhancing mix penetration early in the acceleration of the shell. Simulating both microscale and nanoscale grains, we find initial evidence for larger mixing in the microscale case of the present model, despite smaller deposited kinetic energy perturbation.
Nonlinear coupling of linearly uncoupled resonators through a Mach–Zehnder interferometer
Authors: Sabattoli Federico Andrea , El Dirani Houssein , Youssef Laurène , Gianini Linda , Zatti Luca , Garrisi Francesco , Grassani Davide , Petit-Etienne Camille , Pargon Erwine , Sipe J. E. , Liscidini Marco , Sciancalepore Corrado , Bajoni Daniele , Galli Matteo
Published: November 2022

Optical nonlinear processes in linearly uncoupled resonators are being actively studied as a convenient way to engineer and control the generation of non-classical light. In these structures, one can take advantage of the independent combs of resonances of two linearly uncoupled ring resonators for field enhancement, with the phase-matching condition being significantly relaxed compared to a single resonator. However, previous implementations of this approach have shown a limited operational bandwidth along with a significant reduction of the generation efficiency. Here, we experimentally demonstrate that a Mach–Zehnder interferometer can be used to effectively linearly uncouple two resonators and, at the same time, allows for their efficient nonlinear coupling. We demonstrate that this structure can lead to an unprecedented control over the rings' interaction and can operate over more than 160 nm, covering the S-, C-, and L-telecom bands. In addition, we show that the photon pair generation efficiency is increased by a factor of four with respect to previous implementations.
Effects of flexoelectric polarization on surface potential of dielectric thin-film heterostructures: A comparative study
Authors: Xu Jibo , Zheng Weijie , Yu Yahui , Ding Chunyan , Wu Ming , Wen Zheng
Published: November 2022

Recently, flexoelectric effect has attracted considerable attention owing to ubiquitous existence in all dielectrics, regardless of the symmetry. It promises intriguingly physical phenomena, such as strain gradient-induced electric polarizations, photocurrents, and interfacial transports, as well as their electromechanical coupling with external force loading, in diverse materials for multifunctional applications in electronics. In this work, we report the flexoelectric-modulation on surface potential of LaFeO3 (LFO) thin-film heterostructures. The LFO thin film with or without the flexoelectric effect has been achieved by controlling epitaxial misfit against a substrate. Lattice structures and strain behaviors are observed by atomic-resolution high-angle annular dark-field imaging. Grown on a LaAlO3 substrate, a giant strain gradient of ∼3 × 106 m−1 is generated in the LFO thin film due to the gradual relaxation of large misfit strain with increasing thickness, yielding a robust flexoelectric polarization pointing to the heterostructure surface. In contrast, the LFO is almost fully strained on a SrTiO3 substrate due to the small lattice mismatch. The flexoelectric polarization results in an increase in surface potential in the LFO heterostructure due to the incomplete screening of positive polarization bound charges, as observed by scanning kelvin probe microscopy. Furthermore, x-ray photoelectron spectroscopy reveals that the flexoelectric polarization can downward bend the band alignment of the LFO layer and modulate the interfacial potential barriers. These results provide the way for experimental observations of the flexoelectric effect and deliver physical insight into deep understanding of interfacial electronic structures of flexoelectric-based devices.
Extending and validating bubble nucleation rate predictions in a Lennard-Jones fluid with enhanced sampling methods and transition state theory
Authors: Bal Kristof M. , Neyts Erik C.
Published: November 2022

We calculate bubble nucleation rates in a Lennard-Jones fluid through explicit molecular dynamics simulations. Our approach—based on a recent free energy method (dubbed reweighted Jarzynski sampling), transition state theory, and a simple recrossing correction—allows us to probe a fairly wide range of rates in several superheated and cavitation regimes in a consistent manner. Rate predictions from this approach bridge disparate independent literature studies on the same model system. As such, we find that rate predictions based on classical nucleation theory, direct brute force molecular dynamics simulations, and seeding are consistent with our approach and one another. Published rates derived from forward flux sampling simulations are, however, found to be outliers. This study serves two purposes: First, we validate the reliability of common modeling techniques and extrapolation approaches on a paradigmatic problem in materials science and chemical physics. Second, we further test our highly generic recipe for rate calculations, and establish its applicability to nucleation processes.
Magnetic field analysis of a hybrid excitation multi-degree-of-freedom spherical motor
Authors: Zeng Bingsen , Cao Jianghua , Chen Qing , Zhong Guanming
Published: November 2022

A hybrid excitation multi-degree-of-freedom spherical motor (HE-MDOFSM) is designed, which can achieve MDOF motion by cooperatively controlling the excitation current in 12 sets of stator windings. The designed motor has the advantages of high power density and a large motion range. In addition, because the designed motor has an irregular three-dimensional (3D) structure, it is difficult to perform dynamic magnetic field calculations with existing methods. To solve this problem, we propose a modified 3D dynamic magnetic equivalent circuit (3DD-MEC). The proposed method establishes a node network according to the structural edge features of the motor core and the permanent magnet and calculates the reluctance of the connecting branch based on the differential principle. Moreover, a connection strategy of air-gap nodes in 3D space is formulated, and the magnetic saturation characteristics of the iron core are reflected by an iterative calculation of magnetic permeability. Using the 3DD-MEC method, the 3D dynamic magnetic field information of the HE-MDOFSM can be quickly and accurately calculated. Finally, the reliability of the method is verified by simulation and experiment, which provides a reference for improving the design optimization efficiency of HE-MDOFSM.
Raman scattering investigation of structural phase transition in compressed EuSn2As2
Authors: Zhao Lin , Ma Xiaoli , Tian Cheng , Yi Changjiang , Shi Youguo , Hong Fang , Yu Xiaohui , Han Yonghao , Wang Jian-Tao
Published: November 2022

The layered EuSn2As2 crystal has been proved to be an intrinsic magnetic topological insulator with Bi2Te3-type rhombohedral structure at ambient conditions and undergoes a structural phase transition under pressure. Here, we report an experimental lattice vibration study of EuSn2As2 up to 30.5 GPa by in situ Raman scattering measurements. Four Raman-active modes (2A1g + 2Eg) at ambient pressure are observed experimentally and identified by first-principles calculations. Upon compression, the Eg2 and A1g2 modes merge together at 12.45 GPa, meanwhile the frequencies, intensities, and linewidths of all Raman modes show discontinuous changes, exhibiting a structural phase transition. No Raman-active modes are observed above 21.5 GPa, indicating the new high-pressure metallic phase is completely achieved. The evolution of all observed modes under pressure is also discussed with a two-stage reconstruction mechanism proposed recently by ab initio calculations and XRD measurements. These results provide a basic information about the lattice dynamics and expand our understandings on the structural evolution in layered magnetic topological insulators under high pressure.
Interface barrier-induced conversion of resistive switching mechanism in Mn-doped BiFeO3 memristor
Authors: Su Rui , Cheng Min , Dong Awei , Zhao Yuwei , Cheng Weiming , Yang Rui , Yan Junbing , Miao Xiangshui
Published: November 2022

Different from conductive filament (CF)-type counterparts, interface-type devices exhibit continuously gradual conductance changes, making them the potential for artificial synapses. In this paper, Mn-doped BiFeO3 (BFMO) devices with SrRuO3 and TiN bottom electrodes demonstrate the clear CF rather than the interface barrier type resistance-switching feature due to the high Schottky barrier. Considering the measured electron affinity of 3.52 eV and work function of 4.22 eV in the as-synthesized BFMO film (a weak n-type semiconductor, marked as n−), we fabricated a hetero-junction device with the Nb-doped SrTiO3 (NSTO) bottom electrode (a strong n-type semiconductor, marked as n+) exhibiting analog switch characteristics. The n−–n+ hetero-junction between BFMO and NSTO reverses the operation polarity and leads to a barrier transition-dominated conductive behavior in the BFMO-based memristor. The device shows a large ON/OFF ratio over 1200, favorable stability after 104 s, continual multi-value characteristics, symmetrical long-term potentiation and depression, and synaptic plasticity with about 80 ns time constant. The investigation of resistive switching features, band structure, and synapse performance in this work provides a reference for the application of BiFeO3 in the field of the memristor.
Tackling malnutrition with a new compact oral nutrient supplement among residents in aged care: a pilot study
Authors: O’Brien Wendy J. , Jellicoe Jessica , Mazahery Hajar , Wham Carol
Published: November 2022

Introduction There is a high prevalence of malnutrition among older adults entering residential aged care (RAC). Aim To determine whether 60 mL of a compact oral nutrition supplement (ONS; daily total: 576 kcal, 35 g protein) consumed four times daily with medication rounds improves malnutrition status, body weight, and body composition measures among older adults in RAC. Methods Residents (n = 20; mean age: 86.7 ± 6.8 years; 50% female) screened for malnutrition (20% malnourished, 80% at risk of malnutrition) using the Mini Nutritional Assessment-short form were recruited during April–June 2021. Participants received 60 mL of an ONS four times daily using the Medication Pass Nutrition Supplement Programme (Med Pass). The ONS intake and participant compliance were recorded. Body mass index, fat, and muscle mass (bioelectrical impedance), malnutrition risk, depressive symptoms, and quality of life were assessed at baseline and following the 18-week intervention. Results Median overall compliance was 98.6%. An ONS intake did not significantly increase mean ± s.d. any body composition measures or improve health and wellbeing outcomes; however, it resulted in increased body weight and body mass index (BMI; 13/20 (65%) participants), body fat mass and percentage (10/16 (63%) participants) and muscle mass (9/16 (56%) participants). Malnutrition risk scores improved in 65% (13/20) of participants, resulting in 10% being assessed as malnourished, 65% at risk of malnutrition, and 25% with normal nutrition status. Discussion Delivery of a compact oral nutrition supplement with the medication round was accepted by residents. Its efficacy in improving malnutrition risk and body composition among residents warrants further investigation.