bluuebunny/crossref_metadata_2025 huggingface dataset:
Deep learning for multi-class semantic segmentation enables colorectal cancer detection and classification in digital pathology images
Authors: Bokhorst John-Melle , Nagtegaal Iris D. , Fraggetta Filippo , Vatrano Simona , Mesker Wilma , Vieth Michael , van der Laak Jeroen , Ciompi Francesco
Published: May 2023

In colorectal cancer (CRC), artificial intelligence (AI) can alleviate the laborious task of characterization and reporting on resected biopsies, including polyps, the numbers of which are increasing as a result of CRC population screening programs ongoing in many countries all around the globe. Here, we present an approach to address two major challenges in the automated assessment of CRC histopathology whole-slide images. We present an AI-based method to segment multiple ($$n=14$$

n
=
14

) tissue compartments in the H &E-stained whole-slide image, which provides a different, more perceptible picture of tissue morphology and composition. We test and compare a panel of state-of-the-art loss functions available for segmentation models, and provide indications about their use in histopathology image segmentation, based on the analysis of (a) a multi-centric cohort of CRC cases from five medical centers in the Netherlands and Germany, and (b) two publicly available datasets on segmentation in CRC. We used the best performing AI model as the basis for a computer-aided diagnosis system that classifies colon biopsies into four main categories that are relevant pathologically. We report the performance of this system on an independent cohort of more than 1000 patients. The results show that with a good segmentation network as a base, a tool can be developed which can support pathologists in the risk stratification of colorectal cancer patients, among other possible uses. We have made the segmentation model available for research use on https://grand-challenge.org/algorithms/colon-tissue-segmentation/.
The ant’s weapon improves honey bee learning performance
Authors: Bachert Antonia , Scheiner Ricarda
Published: May 2023

Formic acid is the main component of the ant’s major weapon against enemies. Being mainly used as a chemical defense, the acid is also exploited for recruitment and trail marking. The repelling effect of the organic acid is used by some mammals and birds which rub themselves in the acid to eliminate ectoparasites. Beekeepers across the world rely on this effect to control the parasitic mite Varroa destructor. Varroa mites are considered the most destructive pest of honey bees worldwide and can lead to the loss of entire colonies. Formic acid is highly effective against Varroa mites but can also kill the honeybee queen and worker brood. Whether formic acid can also affect the behavior of honey bees is unknown. We here study the effect of formic acid on sucrose responsiveness and cognition of honey bees treated at different live stages in field-relevant doses. Both behaviors are essential for survival of the honey bee colony. Rather unexpectedly, formic acid clearly improved the learning performance of the bees in appetitive olfactory conditioning, while not affecting sucrose responsiveness. This exciting side effect of formic acid certainly deserves further detailed investigations.
Pinhole-free 2D Ruddlesden–Popper perovskite layer with close packed large crystalline grains, suitable for optoelectronic applications
Authors: Darman Parsa , Yaghoobi Amin , Darbari Sara
Published: May 2023

Here, we achieved pinhole-free 2D Ruddlesden–Popper Perovskite (RPP) BA2PbI4 layers with close packed crystalline grains with dimension of about 30 × 30 µm2, which have been demonstrated to be favorable for optoelectronic applications, such as fast response RPP-based metal/semiconductor/metal photodetectors. We explored affecting parameters in hot casting of BA2PbI4 layers, and proved that oxygen plasma treatment prior to hot casting plays a significant role to achieve high quality close packed polycrystalline RPP layers at lower hot cast temperatures. Moreover, we demonstrate that crystal growth of 2D BA2PbI4 can be dominantly controlled by the rate of solvent evaporation through substrate temperature or rotational speed, while molarity of the prepared RPP/DMF precursor is the dominant factor that determines the RPP layer thickness, and can affect the spectral response of the realized photodetector. Benefiting from the high light absorption and inherent chemical stability of 2D RPP layers, we achieved high responsivity and stability, and fast response photodetection from perovskite active layer. We achieved a fast photoresponse with rise and fall times of 189 µs and 300 µs, and the maximum responsivity of 119 mA/W and detectivity of 2.15 × 108 Jones in response to illumination wavelength of 450 nm. The presented polycrystalline RPP-based photodetector benefits from a simple and low-cost fabrication process, suitable for large area production on glass substrate, a good stability and responsivity, and a promising fast photoresponse, even around that of exfoliated single crystal RPP-based counterparts. However, it is well known that exfoliation methods suffer from poor repeatability and scalability, which make them incompatible with mass production and large area applications.
Comprehensive hemocompatibility analysis on the application of diamond-like carbon to ePTFE artificial vascular prosthesis
Authors: Goyama Takashi , Fujii Yasuhiro , Muraoka Genya , Nakatani Tatsuyuki , Ousaka Daiki , Imai Yuichi , Kuwada Noriaki , Tsuji Tatsunori , Shuku Takayuki , Uchida Haruhito A. , Nishibori Masahiro , Oozawa Susumu , Kasahara Shingo
Published: May 2023

The aim of this study was to obtain comprehensive data regarding the hemocompatibility of diamond-like carbon (DLC)-coated expanded polytetrafluoroethylene (ePTFE). DLC increased the hydrophilicity and smoothened the surface and fibrillar structure, respectively, of the ePTFE. DLC-coated ePTFE had more albumin and fibrinogen adsorption and less platelet adhesion than uncoated ePTFE. There were scarce red cell attachments in in vitro human and in vivo animal (rat and swine) whole blood contact tests in both DLC-coated and uncoated ePTFE. DLC-coated ePTFE had a similar but marginally thicker band movement than uncoated-ePTFE with SDS-PAGE after human whole blood contact test. In addition, survival studies of aortic graft replacement in rats (1.5 mm graft) and arteriovenous shunt in goats (4 mm graft) were performed to compare the patency and clot formation between DLC-coated and uncoated ePTFE grafts. Comparable patency was observed in both animal models. However, clots were observed in the luminal surface of the patent 1.5 mm DLC-coated ePTFE grafts, but not in that of uncoated ePTFE grafts. In conclusions, hemocompatibility of DLC-coated ePTFE was high and comparable to that of uncoated ePTFE. However, it failed to improve the hemocompatibility of 1.5 mm ePTFE graft probably because increased fibrinogen adsorption canceled the other beneficial effects of DLC.
Large area MoS2 thin film growth by direct sulfurization
Authors: Yang Kai-Yao , Nguyen Hong-Thai , Tsao Yu-Ming , Artemkina Sofya B. , Fedorov Vladimir E. , Huang Chien-Wei , Wang Hsiang-Chen
Published: May 2023

In this study, we present the growth of monolayer MoS2(molybdenum disulfide) film. Mo (molybdenum) film was formed on a sapphire substrate through e-beam evaporation, and triangular MoS2film was grown by direct sulfurization. First, the growth of MoS2was observed under an optical microscope. The number of MoS2layers was analyzed by Raman spectrum, atomic force microscope (AFM), and photoluminescence spectroscopy (PL) measurement. Different sapphire substrate regions have different growth conditions of MoS2. The growth of MoS2is optimized by controlling the amount and location of precursors, adjusting the appropriate growing temperature and time, and establishing proper ventilation. Experimental results show the successful growth of a large-area single-layer MoS2on a sapphire substrate through direct sulfurization under a suitable environment. The thickness of the MoS2film determined by AFM measurement is about 0.73 nm. The peak difference between the Raman measurement shift of 386 and 405 cm−1is 19.1 cm−1, and the peak of PL measurement is about 677 nm, which is converted into energy of 1.83 eV, which is the size of the direct energy gap of the MoS2thin film. The results verify the distribution of the number of grown layers. Based on the observation of the optical microscope (OM) images, MoS2continuously grows from a single layer of discretely distributed triangular single-crystal grains into a single-layer large-area MoS2film. This work provides a reference for growing MoS2in a large area. We expect to apply this structure to various heterojunctions, sensors, solar cells, and thin-film transistors.
A publication-wide association study (PWAS), historical language models to prioritise novel therapeutic drug targets
Authors: Narganes-Carlón David , Crowther Daniel J. , Pearson Ewan R.
Published: May 2023

Most biomedical knowledge is published as text, making it challenging to analyse using traditional statistical methods. In contrast, machine-interpretable data primarily comes from structured property databases, which represent only a fraction of the knowledge present in the biomedical literature. Crucial insights and inferences can be drawn from these publications by the scientific community. We trained language models on literature from different time periods to evaluate their ranking of prospective gene-disease associations and protein–protein interactions. Using 28 distinct historical text corpora of abstracts published between 1995 and 2022, we trained independent Word2Vec models to prioritise associations that were likely to be reported in future years. This study demonstrates that biomedical knowledge can be encoded as word embeddings without the need for human labelling or supervision. Language models effectively capture drug discovery concepts such as clinical tractability, disease associations, and biochemical pathways. Additionally, these models can prioritise hypotheses years before their initial reporting. Our findings underscore the potential for extracting yet-to-be-discovered relationships through data-driven approaches, leading to generalised biomedical literature mining for potential therapeutic drug targets. The Publication-Wide Association Study (PWAS) enables the prioritisation of under-explored targets and provides a scalable system for accelerating early-stage target ranking, irrespective of the specific disease of interest.
Comparison of silicone double-lumen tube and polyvinyl chloride single-lumen tube in fiberoptic tracheal intubation on a difficult airway model: a randomized controlled non-inferiority trial
Authors: Kang Seyoon , Chae Yun Jeong , Kim Dae Hee , Bae Se Young , Yoo Ji Young
Published: May 2023

The management of patients with history or suspicion of difficult intubation can be challenging, especially in surgical procedures requiring one-lung ventilation. The ease of insertion of silicone double lumen tube (DLT) have previously been shown to be comparable to polyvinyl single lumen tube (SLT) in fiberoptic bronchoscope (FOB) tracheal intubation. Hence, in difficult airway situation, we hypothesized that the performance of insertion of silicone DLT would also be non-inferior to polyvinyl SLT in FOB intubation. We used a neck collar to mimic patients with difficult airway. 80 patients who required one-lung ventilation were enrolled in a prospective, randomized, non-inferiority trial. Patients were randomly allocated to the DLT or SLT groups (SLT with bronchial blocker). Neck collar was supplied to all patients before FOB intubation. The time of insertion for FOB, railroading, tracheal intubation, and total procedure were measured. The difficulty of railroading was evaluated in 4 grades. In the DLT group, the railroading was significantly shorter and easier comparing to the SLT group. The total procedure was also simpler and faster in the DLT group. While simulated difficult airways may not fully replicate actual difficult airways, we suggest that fiberoptic intubation with silicone DLT could be a feasible first-line option for patients with expected difficult airways requiring lung separation, unless the size of the DLT relative to the patient’s airway is problematic.

Trial registration: NCT03392766.
Investigation of resonance-stabilized radicals associated with soot particle inception using advanced electron paramagnetic resonance techniques
Authors: Elias Jessy , Faccinetto Alessandro , Vezin Hervé , Mercier Xavier
Published: May 2023

In order to tackle the climate emergency, it is imperative to advance cleaner technologies to reduce pollutant emission as soot particles. However, there is still a lack of complete understanding of the mechanisms responsible for their formation. In this work, we performed an investigation devoted to the study of persistent radicals potentially involved in the formation of soot particles, by continuous wave and pulsed electron paramagnetic resonance. This work provides experimental evidence of the presence in nascent soot of highly branched, resonance-stabilized aromatic radicals bearing aliphatic groups, linked together by short carbon chains, and reinforced by non-covalent π-π interactions. These radicals appear to be highly specific of nascent soot and quickly disappear with the increasing soot maturity. Their presence in nascent soot could represent an underestimated health risk factor in addition to the already well documented effect of the high specific surface and the presence of harmful adsorbates.
Satellite-observed strong subtropical ocean warming as an early signature of global warming
Authors: Yang Hu , Lohmann Gerrit , Stepanek Christian , Wang Qiang , Huang Rui Xin , Shi Xiaoxu , Liu Jiping , Chen Dake , Wang Xulong , Zhong Yi , Yang Qinghua , Bao Ying , Müller Juliane
Published: May 2023

Satellite observations covering the last four decades reveal an ocean warming pattern resembling the negative phase of the Pacific Decadal Oscillation. This pattern has therefore been widely interpreted as a manifestation of natural climate variability. Here, we re-examine the observed warming pattern and find that the predominant warming over the subtropical oceans, while mild warming or even cooling over the subpolar ocean, is dynamically consistent with the convergence and divergence of surface water. By comparison of observations, paleo-reconstructions, and model simulations, we propose that the observed warming pattern is likely a short-term transient response to the increased CO2 forcing, which only emerges during the early stage of anthropogenic warming. On centennial to millennial timescales, the subpolar ocean warming is expected to exceed the temporally dominant warming of the subtropical ocean. This delayed but amplified subpolar ocean warming has the potential to reshape the ocean-atmosphere circulation and threaten the stability of marine-terminating ice sheets.
A longitudinal study of the association between attending cultural events and coronary heart disease
Authors: Johansson Sven-Erik , Jansåker Filip , Sundquist Kristina , Bygren Lars Olov
Published: May 2023

Background

The experiences of art and music are an essential part of human life and this study aimed to examine the longitudinal association between cultural participation and coronary heart disease.

Methods

This was a longitudinal study on a randomly selected representative adult cohort (n = 3296) of the Swedish population. The study period was over 36 years (1982–2017) with three separate eight-year interval measurements of cultural exposure (for example, visiting theatres and museums) starting in 1982/83. The outcome was coronary heart disease during the study period. Marginal structural Cox models with inverse probability weighting were used to account for time-varying weights of the exposure and potential confounders during the follow-up. The associations were also examined through a time-varying Cox proportional hazard regression model.

Results

Cultural participation shows a graded association, the higher the exposure the lower the risk of coronary heart disease; the hazard ratio was 0.66 (95% confidence interval, 0.50 to 0.86) for coronary heart disease in participants with the highest level of cultural exposure compared with the lowest level.

Conclusion

Although causality cannot be determined due to the remaining risk of residual confounding and bias, the use of marginal structural Cox models with inverse probability weighting strengthens the evidence for a potentially causal association with cardiovascular health, which warrants further studies.
Caramel colour pigments from black sapote (Diospyros digyna): obtention and food application
Authors: Oscar Jiménez-González , Julio González-Pérez , Beatriz Mejía-Garibay , Aurelio López-Malo , José Ángel Guerrero-Beltrán
Published: May 2023

This work aimed to develop a pigment from black sapote (Diospyros digyna) using lactic acid bacteria or yeasts for fermentation for use as a pigment in gummy bear formulations.
Hydrophilic magnetic host–guest Ti–phenolic networks: a promising material for the highly sensitive enrichment of glycopeptides and phosphopeptides
Authors: Wang Yuxuan , Li Ping , Xu Wenhui , Zhang Dawei , Jia Qiong
Published: May 2023

Hydrophilic magnetic host–guest Ti–phenolic networks (mTiCD@AG) were successfully prepared for the simultaneous enrichment of glycopeptides/phosphopeptides.
The history of genome editing: advances from the interface of chemistry & biology
Authors: Matsumoto Daisuke , Nomura Wataru
Published: May 2023

Genome editing had a long history before the appearance of CRISPR.
Construction of “peptide-hemin/DNA” hybrid-complexes and their peroxidase activities
Authors: Liu Jing , Zhang Taozhe , Feng Jinyang , Cui Yue , Zhang Li , Wang Yunong , Cui Meiyu , Li Donghao , Tai Hulin
Published: May 2023

Peroxidase activity at the interface between hemin and G-quartets exponentially increases with increasing Ka value of the “peptide-hemin/DNA” hybrid-complex.
20 mS cm−1 Li-argyrodite solid electrolyte produced via facile high-speed-mixing
Authors: Chen Hannan , Lu Yang , Zhang Haochang , Zhou Yongjian , Chen Jie , Huang Xiao , Tian Bingbing
Published: May 2023

Argyrodite-type LPSC sulfide solid electrolyte produced from a simple mixing plus mass sintering route at 480 °C delivers high ionic conductivity of over 20 mS cm−1 and good compatibility against a graphite anode and NCM622 cathode.
A bottleable super-electron-donor for catalytic borylation of aryl halides
Authors: Ming Wenbo , Xu Yashi , Xiang Libo , Ye Qing
Published: May 2023

The bottleable electron rich compound [(Dpp-bian)B(DMAP)]2I was demonstrated to serve as a super electron donor (SED) catalyst in the borylation of aryl halides. The SED-catalyzed borylation is applicable for installing Bpin from B2pin2 and installing Bdan form Bpin–Bdan.
Transition metal-catalysis in interrupted borrowing hydrogen strategy
Authors: Nallagangula Madhu , Subaramanian Murugan , Kumar Rohit , Balaraman Ekambaram
Published: May 2023

This review article highlights the recent advances of transition-metal-catalyzed interrupted borrowing hydrogen (IBH) catalysis and its applications in the sustainable and affordable chemical synthesis using alcohols as C1 feedstocks.
MoS2@N-doped graphitic carbon/TiO2 photocatalysts for photocatalytic H2 production from lignocellulosic biomass
Authors: Ma Chi , Cheng Quan , Huang Ze-Xin , Zhang Fu-Guang , Liu Qing-Yu , Yuan Yong-Jun
Published: May 2023

Noble-metal-free MoS2-NGC/TiO2 was developed as an efficient photocatalyst for photocatalytic H2 production from lignocellulosic biomass, including wheat straw, corncob, polar wood chips, bamboo, rice hull, corn straw and rice straw.
Reversible organohydrogels based on dynamic hydrogen bonding among water, dimethyl sulfoxide, and polyethylene glycol
Authors: Jiang Qinbo , Chen Meiyu , Qin Zeyu , Li Jiawen , Zhang Hui
Published: May 2023

H2O induced partial crystallization or dissolution of polyethylene glycol (PEG) by the dynamic hydrogen bonds among water, dimethyl sulfoxide, and PEG. Water-sensitive organohydrogels are promising for non-thermal fixation and preservation.
The effect of solvent–crystal interaction on the morphology of a solvate of rifampicin
Authors: Xu Yiming , Chen Kui , Ju Xiang , Wu Bin , Li Xiaoting , Ji Lijun , Wu Yanyang
Published: May 2023

The large attachment energy (AE) of (1 0 0) and (1 −1 0) explains their vanishment. Stronger interaction with n-butanol of (0 −2 0) leads to its larger facet area than (0 2 0). The larger AE of (1 1 0) than (0 0 1) explains its faster growth rate.
Mesoscale study of crystal-plane effects of Ni catalysts on CO2 hydrogenation
Authors: Wang Xiaolei , Liu Ning , Xu Ruinian , Chen Biaohua , Dai Chengna , Yu Gangqiang
Published: May 2023

Crystal-plane effects have pivotal roles in the design of catalysts.
Effective treatment of hydrogen boride sheets for long-term stabilization
Authors: Ito Shin-ichi , Hikichi Miwa , Noguchi Natsumi , Yuan Mei , Kang Zihao , Fukuda Kosei , Miyauchi Masahiro , Matsuda Iwao , Kondo Takahiro
Published: May 2023

An effective method for treating hydrogen boride to ensure long-term stability over nine months has been developed by removing unstable species inevitably included in the synthesized product by ion-exchange of MgB2.
Magnetic coupling modulation in meta-nitroxide-functionalized isoalloxazine magnets with redox-active units as efficient side-modulators
Authors: Malik Rabia , Bu Yuxiang
Published: May 2023

Isoalloxazine as a template can aid in the design of functionalized magnets with efficient redox side-modulators for modulating their magnetic spin coupling characteristics.
Theoretical insights into the reaction mechanism of hydroxyl radicals and guanine in G-quadruplex DNA
Authors: Wang Yinghui , Wei Simin
Published: May 2023

A DFT investigation was performed to illuminate the obscure mechanism of hydroxyl radical and guanine in G-quadruplex, where direct hydrogen abstraction from N2 of G to furnish neutral radical could compete with C8 addition.
Thermal dehydration of d-glucose monohydrate in solid and liquid states
Authors: Kato Kazuki , Hara Masami , Koga Nobuyoshi
Published: May 2023

The reaction pathway and kinetics of the thermal dehydration of d-glucose monohydrate are dramatically altered by the melting of the reactant midway through the reaction.
Tethering chiral Rh diene complexes inside mesoporous solids: experimental and theoretical study of substituent, pore and linker effects on asymmetric catalysis
Authors: Kirchhof Manuel , Gugeler Katrin , Beurer Ann-Katrin , Fischer Felix Richard , Batman Derman , Bauch Soeren M. , Kolin Sofia , Nicholas Elliot , Schoch Roland , Vogler Charlotte , Kousik Shravan R. , Zens Anna , Plietker Bernd , Atanasova Petia , Naumann Stefan , Bauer Matthias , Bruckner Johanna R. , Traa Yvonne , Kästner Johannes , Laschat Sabine
Published: May 2023

Improved enantioselectivity in the 1,2-addition was observed for chiral Rh norbornadiene catalysts immobilized on ordered mesoporous silica with small pores. Confinement effects were rationalized by experimental and computational studies.
Type I strong acceptor–weak acceptor photosensitizing assemblies for the regulated aerobic oxidative coupling of anilines
Authors: Kaur Lovjot , Kumar Manoj , Bhalla Vandana
Published: May 2023

The work presented in this manuscript represents the development of type I photosensitizing assemblies for the synthesis of symmetrically/unsymmetrically substituted azobenzenes from readily available substrates under green conditions.
Dual functional therapeutics: mitigating bacterial infection and associated inflammation
Authors: Acharya Yash , Taneja Kashish Kumar , Haldar Jayanta
Published: May 2023

Dual-functional therapeutics with the ability to tackle both bacterial infection and associated hyper-inflammation hold great promise for mitigating complicated infections and sepsis.
Highly adhesive chitosan/poly(vinyl alcohol) hydrogels via the synergy of phytic acid and boric acid and their application as highly sensitive and widely linear strain sensors
Authors: Liu Cuiwen , Zhang Ru , Wang Yao , Wei Chengmeng , Li Feng , Qing Ning , Tang Liuyan
Published: May 2023

Chitosan/poly(vinyl alcohol) hydrogels with high adhesion of up to 527 kPa due to the synergy of phytic acid and boric acid. The hydrogel-based strain sensor has high sensitivity (gauge factor = 4.61) and wide linear strain range (up to 1000%).
MoO2/Ni0.2Mo0.8N nanorods on nickel foam as a high performance electrocatalyst for efficient water oxidation
Authors: Hu Yu-wen , Yang Hao , Chen Jian
Published: May 2023

MoO2/Ni0.2Mo0.8N nanorods on nickel foam delivered a low overpotential of 264 mV at 10 mA cm−2 in alkaline electrolyte for oxygen evolution reaction due to the synergistic effect as a result of interfacial engineering between MoO2 and Ni0.2Mo0.8N.
A fluorometric graphene oxide-based assay for determination of agrB gene transcription in methicillin-resistant Staphylococcus aureus by coupling exonuclease III-assisted target recycling and hybridization chain reaction
Authors: Liu Shiwu , Tian Longzhi , He Qizhi , Wang Xiaoqi , Hu Jue , Li Ling , Lu Fangguo , Ning Yi
Published: May 2023

Schematic representation of the graphene oxide-based fluorometric bioassay for determination of agrB gene transcription in MRSA by coupling exonuclease III-assisted target recycling and hybridization chain reaction.
Effect of mixtures of ionic liquids and water on the structure and stability of the insulin dimer: a combined DFT and MD simulation study
Authors: Lakshman N. Giri , Rubavathy S. M. Esther , Priyankha S. , Palanisamy K. , Prakash M.
Published: May 2023

The role of water and water-mediated H-bonding interactions on the stability of the insulin dimer in binary mixtures of ILs is studied.
Electrochemical immunoassay based on an atomically Cu-dispersed nitrogen-doped carbon electrode for screening carcinoembryonic antigen
Authors: Huang Chaoqun , Li Yinan , Cai Fan , Zhong Hongbin , Zhang Fengling , Zhong Weimin , Yao Lin , Huang Jiyi
Published: May 2023

This research developed an electrochemical immunoassay based on an atomically Cu dispersed nitrogen-doped carbon modified screen-printed carbon electrode for screening carcinoembryonic antigen.
β-Galactosidase-instructed intracellular nanofiber formation enhances tumor micro-PET imaging
Authors: Wang Meimei , Yu Kangxia , Zhu Dandan , Zou Pei , Chen Peiyao , Wang Hongyong , Liu Yaling , Xie Minhao
Published: May 2023

[68Ga]Nap-1G was hydrolyzed by β-gal and self-assembled into nanofibers for micro-PET imaging.
Pd-catalyzed imine-directed one-pot access to polysubstituted pyrrolesviatandem triple isocyanide insertion/aza-Nazarov cyclization reactions
Authors: Li Jun , Zhao Zhi-Wen , Zheng Shuang , He Ping , Qiu Ji-Ying , Zhou Quan-Quan , Ren Zhi-Lin
Published: May 2023

A novel one-pot method for synthesizing polysubstituted pyrrole derivatives via three-component reactions of alkenyl bromides, amines, and isocyanides is reported by Pd catalysis, without additional ligands, with the orderly insertion of three isocyanide molecules.
Electrochemical four-component aminochlorination tuned by benzimidazoles
Authors: Zhan Xuan , Gao Guiqi , Liang Yating , Li Fengyi , Liu Ke , Fan Weigang , Zhang Sheng , Li Man-Bo
Published: May 2023

We herein reported an electrochemical four-component aminochlorination, in which benzimidazole was demonstrated to be a reactivity modulator for chlorine radicals by in situ forming various N-chlorobenzimidazole species.
Could an amorphous binder Co phase improve the mechanical properties of WC–Co? A study of molecular dynamics simulation
Authors: Peng Danmin , Jin Na , Leng Engui , Liu Ying , Ye Jinwen , Li Pengtao
Published: May 2023

The trade-off effect between strength and fracture toughness typically observed in composites is challenging for the design and development of novel materials.
Binary ionic liquids hybrid electrolyte based supercapacitors with high energy & power density
Authors: Bo Zheng , Zhang Xu , Huang Zhesong , Huang Yuhui , Yan Jianhua , Cen Kefa , Yang Huachao
Published: May 2023

This work proposes a novel binary ionic liquids (BILs) electrolyte with high electric conductivity, low viscosity, and broad electrochemical stability, realizing excellent electrochemical performance supercapacitors.
A comparative study on the design and application of new nano benzimidazolium gemini ionic liquids for curing interfacial properties of the crude oil–water system
Authors: Saien Javad , Kharazi Mona , Shokri Behnaz , Torabi Morteza , Zolfigol Mohammad Ali
Published: May 2023

Nanostructure benzimidazole GSAILs drastically reduce crude oil–water IFT. GSAILs change surface wettability from oil-wet to water-wet and show high emulsification capability. Benzimidazole GSAILs have better performance than imidazole GSAILs.
Dry tribological properties of textured PMMA composites by embedding microspheres with different thermal conductivities
Authors: Gu Dapeng , Xie Hui , Liu Ziyu , Chen Suwen , Wang Zibo , Gao Siyuan
Published: May 2023

Regular and ordered spherical bulges (surface textures) are prepared by embedding microspheres on the surfaces of PMMA based composites. The thermal conductivity of microspheres has an impact on friction and wear.
Discovery of new pyridine heterocyclic hybrids; design, synthesis, dynamic simulations, and in vitro and in vivo breast cancer biological assays
Authors: Abdelshaheed Menna M. , El Subbagh Hussein I. , Tantawy Mohamed A. , Attia Reem T. , Youssef Khairia M. , Fawzy Iten M.
Published: May 2023

Compound 3b was designed and synthesized as pyrano-pyridine hybrid that showed high potency in the in vitro antiproliferative assay, 81% inhibition to polymerization of tubulin, high dynamic stability and 79% reduction in tumor size of breast cancer in vivo assay.
Designing free-standing 3D lamellar/pillared RGO/CNTs aerogels with ultra-high conductivity and compressive strength for elastic energy devices
Authors: Chen Zilin , Yang Yunlong , Lv Tian , Liu Yanan , Qi Yunlong , Dong Keyi , Cao Shaokui , Chen Tao
Published: May 2023

We here demonstrate a lamellar/pillared RGO/CNTs composite aerogel with high conductivity and compressive strength. By using the RGO/CNTs aerogel derived composite electrodes, high performance energy storage and conversion devices are developed.
Layered double hydroxide/boron nitride nanocomposite membranes for efficient separation and photodegradation of water-soluble dyes
Authors: Coogan Áine , Doménech Natalia García , Mc Ginley Donagh , Simonian Tigran , Rafferty Aran , Fedix Quentin , Donlon Amy , Nicolosi Valeria , Gun'ko Yurii K.
Published: May 2023

New CuAl–CO3 LDH/BNOx nanocomposite membranes demonstrate excellent dye retention characteristics and superior flow rates, as well as efficient photocatalysis for applications in membrane anti-fouling.
Challenging breaking thermoelectric performance limits by twistronics
Authors: Song Jizhe , Sun Mengtao
Published: May 2023

By taking advantage of the twist angle superlattice, the larger period leads to increased atomic short-range disorder, which can effectively reduce the thermal conductivity of bilayer borophene resulting in excellent ZT values.
Catechol exerts anin situsurface oxygen vacancy effect on BiOI: an innovative signal transduction mode for cathodic photoelectrochemistry
Authors: Wang Hong , Gu Mengmeng , Yan Menghua , Wu Xiuming , Dong Yuming , Wang Guang-Li
Published: May 2023

The study constructs a unique PEC bioassay by the generation of surface oxygen vacancyvia in situ surface reaction, which might create fresh vistas for the construction of competitive photoelectric/PEC applications involved with surface vacancies.
Ultra-deep-blue thermally actrivated delayed fluorescence emitters constructed by carbazole derivatives enable efficient solution-processed OLED with a CIEy of < 0.05
Authors: Chen Bo , Liao Chuanxin , Li Dewang , Liu Hongli , Wang Shirong
Published: May 2023

Three boron-based solution-processable TADF emitters were synthesized, achieving high efficiency and ultra-deep-blue emission (CIEy < 0.05) in OLEDs.
The role of the degree of polymerization in the chiroptical properties of dynamic asymmetric poly(diphenylacetylene)s
Authors: Tarrío Juan José , Fernández Berta , Quiñoá Emilio , Freire Félix
Published: May 2023

The chiroptical properties of an asymmetric poly(diphenylacetylene) are related to the degree of polymerization, being opposite for polymers and oligomers.
The Nrd1–Nab3–Sen1 transcription termination complex from a structural perspective
Authors: Chaves-Arquero Belén , Pérez-Cañadillas José Manuel
Published: May 2023

A substantial part of living cells activity involves transcription regulation. The RNA polymerases responsible for this job need to know ‘where/when' to start and stop in the genome, answers that may change throughout life and upon external stimuli. In Saccharomyces cerevisiae, RNA Pol II transcription termination can follow two different routes: the poly(A)-dependent one used for most of the mRNAs and the Nrd1/Nab3/Sen1 (NNS) pathway for non-coding RNAs (ncRNA). The NNS targets include snoRNAs and cryptic unstable transcripts (CUTs) generated by pervasive transcription. This review recapitulates the state of the art in structural biology and biophysics of the Nrd1, Nab3 and Sen1 components of the NNS complex, with special attention to their domain structures and interactions with peptide and RNA motifs, and their heterodimerization. This structural information is put into the context of the NNS termination mechanism together with possible prospects for evolution in the field.
Implications of time-dependent molecular chemistry in metal-poor dwarf stars
Authors: Deshmukh S. A. , Ludwig H.-G.
Published: May 2023

Context. Binary molecules such as CO, OH, CH, CN, and C2 are often used as abundance indicators in stars. These species are usually assumed to be formed in chemical equilibrium. The time-dependent effects of hydrodynamics can affect the formation and dissociation of these species and may lead to deviations from chemical equilibrium.

Aims. We aim to model departures from chemical equilibrium in dwarf stellar atmospheres by considering time-dependent chemical kinetics alongside hydrodynamics and radiation transfer. We examine the effects of a decreasing metallicity and an altered C/O ratio on the chemistry when compared to the equilibrium state.

Methods. We used the radiation-(magneto)hydrodynamics code CO5BOLD and its own chemical solver to solve for the chemistry of 14 species and 76 reactions. The species were treated as passive tracers and were advected by the velocity field. The steady-state chemistry was also computed to isolate the effects of hydrodynamics.

Results. In most of the photospheres in the models we present, the mean deviations are smaller than 0.2 dex, and they generally appear above log τ = −2. The deviations increase with height because the chemical timescales become longer with decreasing density and temperature. A reduced metallicity similarly results in longer chemical timescales and in a reduction in yield that is proportional to the drop in metallicity; a decrease by a factor 100 in metallicity loosely corresponds to an increase by factor 100 in chemical timescales. As both CH and OH are formed along reaction pathways to CO, the C/O ratio means that the more abundant element gives faster timescales to the constituent molecular species. Overall, the carbon enhancement phenomenon seen in very metal-poor stars is not a result of an improper treatment of molecular chemistry for stars up to a metallicity as low as [Fe/H] = −3.0.
A note on meaningful acoustical parameters for open-air theatres
Authors: Rindel Jens Holger
Published: May 2023

The acoustics of performance spaces are usually characterized by the reverberation time and a handful of other acoustical parameters defined in ISO 3382-1. However, these parameters have been derived with closed spaces in mind, and it is not obvious that the same parameters are meaningful in an open-air theatre. The lack of late reflections means that the decay curve is often far from a straight line, and the reverberation parameters turn out to be unreliable. Also, parameters that use the balance between early and late reflections are problematic when late reflections are more or less absent. It is necessary to rethink the need for acoustical parameters instead of sticking to the well-established parameters meant for concert halls. The most important acoustical features of a theatre are that speech is sufficiently loud and clear, which can be described by acoustical parameters for strength and clarity. In addition, it is important to avoid echoes, which are more likely to appear in an outdoor environment than in a room. Thus, there is a need for an objective echo parameter. Acoustical parameters that vary strongly with receiver position are not well suited for a global characterization of the acoustics of a space. For this purpose, a parameter for the acoustical efficiency is suggested; it is defined as ten times the logarithm of the total sound energy in the impulse response relative to the energy of the direct sound. The spatial average of this parameter can be used for comparison of the acoustics of different open-air theatres.
Characterizing an odd [1, b]-factor on the distance signless Laplacian spectral radius
Authors: Zhou Sizhong , Liu Hongxia
Published: May 2023

LetGbe a connected graph of even ordern. An odd [1, b]-factor ofGis a spanning subgraphFofGsuch thatdF(v) ∈ {1, 3, 5, ⋯,b} for anyv ∈ V(G), wherebis positive odd integer. The distance matrixƊ(G) ofGis a symmetric real matrix with (i, j)-entry being the distance between the verticesviandvj. The distance signless Laplacian matrixQ(G) ofGis defined byQ(G), whereTr(G) is the diagonal matrix of the vertex transmissions inG. The largest eigenvalueη1(G) ofQ(G) is called the distance signless Laplacian spectral radius ofG. In this paper, we verify sharp upper bounds on the distance signless Laplacian spectral radius to guarantee the existence of an odd [1, b]-factor in a graph; we provide some graphs to show that the bounds are optimal.
Influence of genetics and epigenetics on the process of muscle hypertrophy: a systematic review
Authors: Fajardo Colorado Myriam Dianora , Correa Jaramillo Rodney , González Arango Luis Fernando
Published: May 2023

Muscle hypertrophy is the increase in the size of the transverse diameter of muscle fibers. Although the mechanisms and signaling pathways that regulate hypertrophy are known, it is still unclear how much genetics and epigenetics contribute to this process; whether both mechanisms participate jointly, or whether there is a more significant influence of one event than the other. Therefore, this study aimed to extensively review the literature and determine the role of genes and epigenetic mechanisms in regulating muscle hypertrophy associated with physical activity and sport. For this purpose, the Scopus and ScienceDirect databases were reviewed, and the PubMed and Google Scholar search engines were used, where 25 articles met the inclusion criteria. Results demonstrated that there are several regulatory genes of muscle hypertrophy, such as MSTN, PGC-1 α, STARS, and JunB, among others, as well as genetic polymorphisms and vital participation of DNA methylation, which together would control signaling pathways and gene networks necessary for the development of this process.
Body composition and physical performance in under-17 and under-19 rugby players: differences and associations among forwards and backs
Authors: Zabaloy Santiago , Gálvez González Javier , Alcaraz Pedro E. , Pereira Lucas A. , Freitas Tomás T. , Loturco Irineu
Published: May 2023

This study aimed to compare body composition and physical performance between U-17 and U-19 rugby players (forwards and backs), and examine the correlations among body composition, relative strength, jump, and sprint performance in both playing positions. Fifty-two male adolescent rugby players (mean ± SD: age, U-17: 16.2 ± 0.6 and U-19: 18.09 ± 0.9 years) participated in the study. Players performed anthropometric, body-composition (∑3 skinfolds [SF], body fat [BF] and lean mass [LM]), vertical jump, 30-m sprint, and squat one-repetition maximum (1RM-SQ) tests. Significant differences were observed for body mass (BM) and body composition variables among playing positions for both categories (P: 0.05 to < 0.001; ES > 0.72). U-17 forwards showed significantly different performance across all variables when compared to U-19 backs (P: 0.05 to < 0.001; ES > 1.08). Likewise, U-17 forwards showed lower relative strength (P: 0.05–0.095; ES > 1.66) and higher 30-m sprint times (P < 0.024; ES > 0.57) when compared to U-19 forwards and U-17 backs. Overall, for the backs, BM and LM were significantly associated with all performance variables (r: −0.72 to 0.50; P < 0.05). Conversely, for the forwards, BF and SF were significantly correlated with vertical jump height and sprint times (r: −0.62 to 0.52; P < 0.05). Clear differences exist between backs and forwards irrespective of the age category, whilst no differences were observed between U-17 and U-19 backs. The present results suggest that practitioners should monitor different body-composition variables due to the magnitude of associations observed with sprinting and jumping abilities.
Ästhetische Ergebnisse nach Nasenspitzenrekonstruktionen mit
dem Frontonasallappen und anderen lokoregionären Lappen
Authors: Andresen Julian Ramin , Scheufler Oliver
Published: May 2023

Hintergrund Die vorliegende Studie untersucht die Ergebnisse der
Nasenspitzenrekonstruktion mit dem frontonasalen Lappen im Vergleich zu anderen
lokoregionären Lappen.

Material und Methoden Eingeschlossen wurden alle
Nasenspitzenrekonstruktionen mit lokoregionären Lappen, die
während eines Zeitraums von 10 Jahren durchgeführt wurden. Die
Defektgröße, Lappenart, Risikofaktoren, Komorbiditäten
sowie Komplikationen, Revisionen und Sekundäroperationen wurden
retrospektiv untersucht. Klinische Nachuntersuchungen erfolgten nach 12 Monaten.
Digitale Fotografien wurden präoperativ und zum Zeitpunkt der letzten
Nachuntersuchung in Standardprojektionen erstellt und die ästhetischen
Ergebnisse von drei unabhängigen Untersuchern beurteilt, wobei die
Nasenkontur, Symmetrie, Narbenbildung und Übereinstimmung der Hautfarbe
zwischen Lappenplastik und Nasenhaut auf einer 4-Punkte-Skala bewertet wurden.
Abschließend wurde die Patientenzufriedenheit erfragt.

Ergebnisse Bei 68 Frauen und 44 Männern mit einem mittleren Alter
von 71,4±10,2 Jahren wurden 112 Rekonstruktionen der Nasenspitze
durchgeführt. Unter Berücksichtigung der
Defektgröβe, individueller Faktoren und dem Patientenwunsch,
erfolgte die Rekonstruktion mit 58 frontonasalen Lappen, 23 Rintala-Lappen, 20
paramediane Stirnlappen und 11 Bilobed-Lappen. Das Durchschnittsalter und die
Komorbiditäten der Patienten waren zwischen den Lappenarten
vergleichbar, mit Ausnahme einer höheren Inzidenz der arteriellen
Hypertonie und einer niedrigeren Inzidenz des Diabetes mellitus bei Patienten,
die mit frontonasalen Lappen behandelt wurden. Die Defektgröße
war bei den Rekonstruktionen mit frontonasalen Lappen und Rintala-Lappen gleich,
bei den Bilobed-Lappen geringer und den Stirnlappen ausgedehnter. Die
Komplikationsrate wies zwischen den verschiedenen Lappentechniken keine
Unterschiede auf. Unter Berücksichtigung der geplanten Zweiteingriffe
(Lappenstieldurchtrennungen) bei den paramedianen Stirnlappen war die
Häufigkeit ungeplanter Korrekturen bei allen Lappentechniken
vergleichbar. Die ästhetischen Ergebnisse und die Patientenzufriedenheit
wurden mit allen Techniken in über 90% als sehr gut oder gut
bewertet.

Schlussfolgerungen Im Vergleich zum paramedianen Stirnlappen vermeidet der
frontonasale Lappen einen geplanten Zweiteingriff und größeren
Hebedefekt. Er erlaubt die Deckung zumindest gleich großer Defekte wie
der Rintala-Lappen und größerer Defekte als der
Bilobed-Lappen.
The Impact of Maternal Obesity on Neonatal Outcomes of Pregnancies Complicated by Fetal Growth Restriction
Authors: Whelan Anna R. , Esposito Matthew , Lord Megan G.
Published: May 2023

Objective This study aimed to characterize the relationship between maternal obesity, fetal abdominal size, and neonatal morbidity in pregnancies complicated by fetal growth restriction (FGR).

Study Design Pregnancies complicated by FGR, which resulted in delivery of a live, singleton, nonanomalous infant at a single center between 2002 and 2013 were identified in a large, National Institutes of Health–funded database of detailed pregnancy and delivery information extracted by trained research nurses. Pregnancies complicated by diabetes were excluded. Fetal biometry measurements from third trimester ultrasounds performed at the same institution were extracted from another institutional database. Pregnancies were divided into cohorts based on fetal abdominal circumference (AC) gestational age percentile (<10th centile, 10–29th centile, 30–49th centile, and ≥50th centile) at the ultrasound closes to the date of delivery. Obesity was defined by prepregnancy body mass index >30 kg/m2. The primary outcome was a composite of neonatal morbidity (CM) including 5-minute Apgar < 7, arterial cord pH <7.0, sepsis, respiratory support, chest compressions, phototherapy, exchange transfusion, hypoglycemia requiring treatment, or neonatal death. Outcomes were compared between women with versus without prepregnancy obesity overall and then stratified by AC cohort.

Results A total of 379 pregnancies met criteria; CM occurred in 136 (36%). Overall, there was no difference in CM between infants born to women with versus without obesity (risk ratio (RR): 1.11, 95% confidence interval: 0.79–1.56). When stratified according to AC at ultrasound closest to delivery, there was higher prevalence of CM occurring among women with prepregnancy obesity than those without prepregnancy obesity when the fetal AC was >50th or 30 to 49th centile However, these differences did not reach statistical significance.

Conclusion Our study identified no significant difference in risk of CM among growth-restricted infants of obese versus nonobese mothers, including among infants with very small AC. More research is needed to further examine the potential relationships postulated here.

Key Points
Synthetic Studies toward the C1–C12 Fragment of Amphidinolide U
Authors: Ferrié Laurent , Ciss Ismaila , Seck Matar , Figadère Bruno
Published: May 2023

Amphidinolide U is a cytotoxic marine macrolide isolated from Amphidinium sp., sharing 75% of the amphidinolide C backbone. We report here a synthetic study of the C1–C12 fragment of amphidinolide U. The C6–C12 pattern was built using consecutive regioselective ring opening of epoxides, a directed reaction to control newly formed stereogenic centers. In parallel, the C1–C5 moiety was constructed by taking advantage of a symmetrical diol. Attempts to cross-couple the C1–C5 and C6–C12 fragments by using a Suzuki cross-coupling reaction led to poor conversion rates. The same transformation on a close substrate model used during past studies on the total synthesis of amphidinolides F and C2 was successful. These contrasting results could be explained by a presumed steric hindrance of the protecting group adjacent to the vinyl function involved in the cross-coupling reaction. Our investigations will stimulate the optimization of C(sp2)–C(sp3) cross-coupling reactions with bulky substrates, with the aim of achieving a total synthesis of amphidinolide U.
Nach SAP-Entscheidung: Fieberhafte Suche nach dem IS-H-Nachfolger
Authors: Doelfs Guntram
Published: May 2023

Viele IT-Abteilungen von Kliniken sind derzeit im Ausnahmezustand. Nach dem SAP-Ausstieg bei IS-H suchen sie dringend nach Alternativen. KIS-Anbieter haben zwar Ersatz für IS-H angekündigt, doch Lösungen sind derzeit noch nicht verfügbar, sagen CIOs. Zeitgleich wächst der Zeitdruck bei KHZG-Projekten.
Auf- und Absteiger in der Klinikbranche: Am Tropf der Stadt
Authors: Schmidt Hartmut
Published: May 2023

Börsenexperte Hartmut Schmidt analysiert für kma die Jahresabschlüsse ausgewählter Kliniken. kma Online Ausführliche Berichte lesen Sie jeden Monat auf kma Online unter www.kma-online.de/auf-absteiger.