bluuebunny/crossref_metadata_2025 huggingface dataset:
Early planetesimal differentiation and late accretion shaped Earth’s nitrogen budget
Authors: Wang Wenzhong , Walter Michael J. , Brodholt John P. , Huang Shichun
Published: May 2024

The relative roles of protoplanetary differentiation versus late accretion in establishing Earth’s life-essential volatile element inventory are being hotly debated. To address this issue, we employ first-principles calculations to investigate nitrogen (N) isotope fractionation during Earth’s accretion and differentiation. We find that segregation of an iron core would enrich heavy N isotopes in the residual silicate, while evaporation within a H2-dominated nebular gas produces an enrichment of light N isotope in the planetesimals. The combined effect of early planetesimal evaporation followed by core formation enriches the bulk silicate Earth in light N isotopes. If Earth is comprised primarily of enstatite-chondrite-like material, as indicated by other isotope systems, then late accretion of carbonaceous-chondrite-like material must contribute ~ 30–100% of the N budget in present-day bulk silicate Earth. However, mass balance using N isotope constraints shows that the late veneer contributes only a limited amount of other volatile elements (e.g., H, S, and C) to Earth.
The EV71 2A protease occupies the central cleft of SETD3 and disrupts SETD3-actin interaction
Authors: Gao Xiaopan , Wang Bei , Zhu Kaixiang , Wang Linyue , Qin Bo , Shang Kun , Ding Wei , Wang Jianwei , Cui Sheng
Published: May 2024

SETD3 is an essential host factor for the replication of a variety of enteroviruses that specifically interacts with viral protease 2A. However, the interaction between SETD3 and the 2A protease has not been fully characterized. Here, we use X-ray crystallography and cryo-electron microscopy to determine the structures of SETD3 complexed with the 2A protease of EV71 to 3.5 Å and 3.1 Å resolution, respectively. We find that the 2A protease occupies the V-shaped central cleft of SETD3 through two discrete sites. The relative positions of the two proteins vary in the crystal and cryo-EM structures, showing dynamic binding. A biolayer interferometry assay shows that the EV71 2A protease outcompetes actin for SETD3 binding. We identify key 2A residues involved in SETD3 binding and demonstrate that 2A’s ability to bind SETD3 correlates with EV71 production in cells. Coimmunoprecipitation experiments in EV71 infected and 2A expressing cells indicate that 2A interferes with the SETD3-actin complex, and the disruption of this complex reduces enterovirus replication. Together, these results reveal the molecular mechanism underlying the interplay between SETD3, actin, and viral 2A during virus replication.
Hue selectivity from recurrent circuitry in Drosophila
Authors: Christenson Matthias P. , Sanz Diez Alvaro , Heath Sarah L. , Saavedra-Weisenhaus Maia , Adachi Atsuko , Nern Aljoscha , Abbott L. F. , Behnia Rudy
Published: May 2024

In the perception of color, wavelengths of light reflected off objects are transformed into the derived quantities of brightness, saturation and hue. Neurons responding selectively to hue have been reported in primate cortex, but it is unknown how their narrow tuning in color space is produced by upstream circuit mechanisms. We report the discovery of neurons in the Drosophila optic lobe with hue-selective properties, which enables circuit-level analysis of color processing. From our analysis of an electron microscopy volume of a whole Drosophila brain, we construct a connectomics-constrained circuit model that accounts for this hue selectivity. Our model predicts that recurrent connections in the circuit are critical for generating hue selectivity. Experiments using genetic manipulations to perturb recurrence in adult flies confirm this prediction. Our findings reveal a circuit basis for hue selectivity in color vision.
Effect of humic substances on the fraction of heavy metal and microbial response
Authors: Wang Mengmeng , Song Gangfu , Zheng Zhihong , Song Zhixin , Mi Xiao , Hua Jiajun , Wang Zihang
Published: May 2024

Contamination of soils by Molybdenum (Mo) has raised increasing concern worldwide. Both fulvic acid (FA) and humic acid (HA) possess numerous positive properties, such as large specific surface areas and microporous structure that facilitates the immobilization of the heavy metal in soils. Despite these characteristics, there have been few studies on the microbiology effects of FA and HA. Therefore, this study aimed to assess the Mo immobilization effects of FA and HA, as well as the associated changes in microbial community in Mo-contaminated soils (with application rates of 0%, 0.5% and 1.0%). The result of the incubation demonstrated a decrease in soil pH (from 8.23 ~ 8.94 to 8.05 ~ 8.77). Importantly, both FA and HA reduced the exchangeable fraction and reducible fraction of Mo in the soil, thereby transforming Mo into a more stable form. Furthermore, the application of FA and HA led to an increase in the relative abundance of Actinobacteriota and Firmicutes, resulting in alterations to the microbial community structure. However, it is worth noting that due to the differing structures and properties of FA and HA, these outcomes were not entirely consistent. In summary, the aging of FA and HA in soil enhanced their capacity to immobilization Mo as a soil amendment. This suggests that they have the potential to serve as effective amendments for the remediation of Mo-contaminated soils.
Inulin supplementation exhibits increased muscle mass via gut-muscle axis in children with obesity: double evidence from clinical and in vitro studies
Authors: Visuthranukul Chonnikant , Leelahavanichkul Asada , Tepaamorndech Surapun , Chamni Supakarn , Mekangkul Eakkarin , Chomtho Sirinuch
Published: May 2024

Gut microbiota manipulation may reverse metabolic abnormalities in obesity. Our previous studies demonstrated that inulin supplementation significantly promoted Bifidobacterium and fat-free mass in obese children. We aimed to study gut-muscle axis from inulin supplementation in these children. In clinical phase, the plasma samples from 46 participants aged 7–15 years, were analyzed for muscle biomarkers before and after 6-month inulin supplementation. In parallel, the plausible mechanism of muscle production via gut-muscle axis was examined using macrophage cell line. Bifidobacterium was cultured in semi-refined medium with inulin used in the clinical phase. Cell-free supernatant was collected and used in lipopolysaccharide (LPS)-induced macrophage cell line to determine inflammatory and anti-inflammatory gene expression. In clinical phase, IL-15 and creatinine/cystatin C ratio significantly increased from baseline to the 6th month. In vitro study showed that metabolites derived from Bifidobacterium capable of utilizing inulin contained the abundance of SCFAs. In the presence of LPS, treatment from Bifidobacterium + inulin downregulated TNF-α, IL-6, IL-1β, and iNOS, but upregulated FIZZ-1 and TGF-β expression. Inulin supplementation promoted the muscle biomarkers in agreement with fat-free mass gain, elucidating by Bifidobacterium metabolites derived from inulin digestion showed in vitro anti-inflammatory activity and decreased systemic pro-inflammation, thus promoting muscle production via gut-muscle axis response.

Clinical Trial Registry number: NCT03968003.
Annual phenology and migration routes to breeding grounds in western-central North Pacific sei whales
Authors: Konishi Kenji , Minamikawa Shingo , Kleivane Lars , Takahashi Megumi
Published: May 2024

The sei whale (Balaenoptera borealis) is an important species among baleen whales in the North Pacific and plays a significant role in the ecosystem. Despite the importance of this species, information regarding its migration patterns and breeding locations remains limited. To enhance the understanding of the phenology of North Pacific sei whales, we deployed satellite-monitored tags on these whales in the western and central North Pacific from 2017 to 2023. We fitted 55 sei whale tracks to a state-space model to describe the whales’ seasonal movements at feeding grounds and their migratory behavior. The whales typically leave their feeding grounds between November and December, with migration pathways extending from off Japan to the west of the Hawaiian Islands. These southward transits converge in the waters of the Marshall Islands and north of Micronesia between 20° N and 7° N, which appear to be breeding grounds. After a brief stay at these breeding grounds, the whales migrate northward from January to February, reaching their feeding grounds around 30°N by March. To the best of our knowledge, this is the first study to present the phenology of feeding and breeding seasons and the migration pattern of North Pacific sei whales.
Microtubule dependent sorting of actin-binding proteins in mitosis
Authors: Prassler Jana , Ecke Mary , Gerisch Günther
Published: May 2024

The patterns of Formin B and of the Arp2/3 complex formed during mitosis were studied in a mutant of Dictyostelium discoideum that produces multinucleate cells, which divide by the ingression of unilateral cleavage furrows. During cytokinesis the cells of this mutant remain spread on a glass surface where they generate a planar pattern based on the sorting-out of actin-binding proteins. During anaphase, Formin B and Arp2/3 became localized to the regions of microtubule asters around the centrosomes; Formin B in particular in the form of round, quite uniformly covered areas. These areas have been shown to be depleted of myosin II and the actin-filament crosslinker cortexillin, and to be avoided by cleavage furrows on their path into the cell.
Positive pathogens in stool could predict the clinical outcomes of sepsis-associated acute kidney injury in critical ill patient
Authors: Cao Yaoyuan , Deng Fuxing
Published: May 2024

In this study, we sought to evaluate the influence of positive pathogens in stool (PPS) on clinical outcomes in critical ill patients with Sepsis-associated acute kidney injury (S-AKI) from intensive care unit. Our sample consisted of 7338 patients, of whom 752 (10.25%) had PPS. We found that the presence of Clostridium difficile (C. difficile) and protists in stool samples was correlated with survival during hospitalization, as well as 30-day and 90-day survival. Interestingly, there was no significant difference in overall survival and 30-day in-hospital survival between the PPS group and the negative pathogens in stool (NPS) control group. However, the cumulative incidence of 90-day infection-related mortality was significantly higher in the PPS group (53 vs. 48%, P = 0.022), particularly in patients with C. difficile in their stool specimens. After adjusting for propensity scores, the results also have statistical significance. These findings suggest that PPS may affect the 90-days survival outcomes of S-AKI, particularly in patients with C. difficile and protists in their stool samples. Further research is warranted to further explore these associations.
Tissue distribution and retention drives efficacy of rapidly clearing VHL-based PROTACs
Authors: Zhang Donglu , Ma Bin , Dragovich Peter S. , Ma Li , Chen Shu , Chen Eugene C. , Ye Xiaofen , Liu Joyce , Pizzano Jennifer , Bortolon Elizabeth , Chan Emily , Zhang Xing , Chen Yi-Chen , Levy Elizabeth S. , Yauch Robert L. , Khojasteh S. Cyrus , Hop Cornelis E. C. A.
Published: May 2024

Background

Proteolysis-targeting chimeras (PROTACs) are being developed for therapeutic use. However, they have poor pharmacokinetic profiles and their tissue distribution kinetics are not known.

Methods

A typical von Hippel-Lindau tumor suppressor (VHL)—PROTAC 14C-A947 (BRM degrader)—was synthesized and its tissue distribution kinetics was studied by quantitative whole-body autoradiography (QWBA) and tissue excision in rats following IV dosing. Bile duct-cannulated (BDC) rats allowed the elucidation of in vivo clearance pathways. Distribution kinetics was evaluated in the tissues and tumors of mice to support PK-PD correlation. In vitro studies enabled the evaluation of cell uptake mechanisms and cell retention properties.

Results

Here, we show that A947 quickly distributes into rat tissues after IV dosing, where it accumulates and is retained in tissues such as the lung and liver although it undergoes fast clearance from circulation. Similar uptake/retention kinetics enable tumor growth inhibition over 2–3 weeks in a lung cancer model. A947 quickly excretes in the bile of rats. Solute carrier (SLC) transporters are involved in hepatocyte uptake of PROTACs. Sustained BRM protein degradation is seen after extensive washout that supports prolonged cell retention of A947 in NCI-H1944 cells. A947 tissue exposure and pharmacodynamics are inversely correlated in tumors.

Conclusions

Plasma sampling for VHL-PROTAC does not represent the tissue concentrations necessary for efficacy. Understanding of tissue uptake and retention could enable less frequent IV administration to be used for therapeutic dosing.
Chemical characterization and comparative analysis of different parts of Cocculus orbiculatus through UHPLC-Q-TOF-MS
Authors: Wang Xiao-rui , Wei Mao-chen , Qin Lin , Tan Dao-peng , Wu Fa-ming , Xie Jian , Wu Di , Liu An-nian , Wu Jia-jia , Wu Xing-dong , He Yu-qi
Published: May 2024

Identification of 113 components from diverse parts of Cocculus orbiculatus using UHPLC-Q-TOF-MS/MS, including numerous previously unreported compounds.
Photo-induced structural dynamics of o-nitrophenol by ultrafast electron diffraction
Authors: Nunes J. P. F. , Williams M. , Yang J. , Wolf T. J. A. , Rankine C. D. , Parrish R. , Moore B. , Wilkin K. , Shen X. , Lin Ming-Fu , Hegazy K. , Li R. , Weathersby S. , Martinez T. J. , Wang X. J. , Centurion M.
Published: May 2024

Captured the photo-induced loss of planarity which enables o-nitrophenol to undergo non-radiative relaxation.
CuO nanostructure-decorated InGaN nanorods for selective H2S gas detection
Authors: Thota Chandrakalavathi , Gangadhara C. , Radhalayam Dhanalakshmi , Singiri Ramu , Bak Na-Hyun , Kondaiah Paruchuri , Ningappa C. , Maddaka Reddeppa , Kim Moon-Deock
Published: May 2024

Establishing a heterostructure is one of the adequate strategies for enhancing device performance and has been explored in sensing, and energy applications. We designed p-CuO/n-InGaN NRs excellent H2S gas sensing performance at room temperature.
Chemometrically assisted differential pulse voltammetry for simultaneous and interference-free quantification of gallic and caffeic acids
Authors: Montemerlo Antonella E. , Azcarate Silvana M. , Camiña José M. , Messina Germán
Published: May 2024

This work presents an eco-friendly electroanalytical method without electrode modifications assisted by chemometrics, for the simultaneous determination of gallic and caffeic acids in red wines, even in the presence of uncalibrated interference.
Impact of drug-linker on method selection for analytical characterization and purification of antibody–drug conjugates
Authors: Santora Ling C. , Hobson Adrian D. , Wang Lu , Wu Kan X.
Published: May 2024

In addition to traditional characterisation methods of hydrophobic interaction (HIC) and reverse phase (RP) chromatography, an anion exchange chromatography (AIEX) was developed to analyse and purify antibody drug conjugates (ADCs).
Construction of a supramolecular antibacterial material based on water-soluble pillar[5]arene and a zwitterionic guest molecule
Authors: Liu Haoming , Lv Jinmeng , Wang Xue , Dong Shengyi , Li Xinyun , Gao Lingyan
Published: May 2024

A complex of pillar[5]arene with a zwitterionic guest demonstrated excellent antibacterial and biofilm formation inhibition and dispersal activities against E. coli, S. aureus and MRSA.
Lead overlayer dynamics on Ni(111)
Authors: Borisova Svetlana D. , Eremeev Sergey V. , Chulkov Evgueni V. , Rusina Galina G.
Published: May 2024

Dynamics of submonolayer lead adsorption structures on Ni(111) surface, overlayers and surface alloy, has been studied within the embedded atom method calculations.
Amorphous-like thermal conductivity and high mechanical stability of cyclopentane clathrate hydrate
Authors: Andersson Ove , Saiduzzaman Md , Brant Carvalho Paulo H. B. , Häussermann Ulrich
Published: May 2024

Through the exchange of guest molecules from water-miscible molecules to cyclopentane, the mechanical stability of type II clathrate hydrates increases significantly.
Mechanisms of acid generation from ionic photoacid generators for extreme ultraviolet and electron beam lithography
Authors: Fu Chengbin , Du Kun , Xue Jie , Xin Hanshen , Zhang Jianhua , Li Haoyuan
Published: May 2024

The mechanisms of photoacid production from ionic photoacid generators for extreme ultraviolet and electron beam lithography are revealed.
Enhancing the reaction kinetics and structural stability of high-voltage LiCoO2via polyanionic species anchoring
Authors: Zheng Wei , Liang Gemeng , Guo Hao , Li Jingxi , Zou Jinshuo , Yuwono Jodie A. , Shu Hongbo , Zhang Shilin , Peterson Vanessa K. , Johannessen Bernt , Thomsen Lars , Hu Wenbin , Guo Zaiping
Published: May 2024

Anchored polyanionic species acting as micro funnels boost the Li+ kinetics and enhance the structural stability of high-voltage LiCoO2.
Operational strategies of pulsed electrolysis to enhance multi-carbon product formation in electrocatalytic CO2 reduction
Authors: Ito Takashi , Raj Jithu , Zhang Tianyu , Roy Soumyabrata , Wu Jingjie
Published: May 2024

Different operational strategies of pulsed electrolysis lead to different origins for the enhancement of multi-carbon product formation in electrocatalytic CO2 reduction.
Ion transport in polymerized ionic liquids: a comparison of polycation and polyanion systems
Authors: Jeddi Javad , Niskanen Jukka , Lessard Benoît H. , Sangoro Joshua
Published: May 2024

Four model 1,2,3-triazole-based polyILs with polycation or polyanion backbones, are investigated to understand the impact of mobile ion types and backbone chemical structure.
Interactive association of the dietary oxidative balance score and cardiovascular disease with mortality in older adults: evidence from NHANES
Authors: Zhang HuanRui , Tian Wen , Qi GuoXian , Zhou BaoSen , Sun YuJiao
Published: May 2024

We assessed potential associations of the dietary oxidative balance score (DOBS) and cardiovascular disease (CVD) with all-cause mortality in older adults, also exploring whether DOBS moderates the relationship between CVD and mortality.
Olive oil tyrosols reduce α-synuclein aggregation in vitro and in vivo after ingestion in a Caenorhabditis elegans Parkinson's model
Authors: Hernández-García Samanta , García-Cano Beatriz , Martínez-Rodríguez Pedro , Henarejos-Escudero Paula , Gandía-Herrero Fernando
Published: May 2024

Olive polyphenols effect in Caenorhabditis elegans Parkinson's disease model.
Real-time detection and classification of PFAS using dynamic behaviors at liquid–liquid interfaces
Authors: Barua Baishali , Dunham Laura K. , Gadh Aakanksha , Savagatrup Suchol
Published: May 2024

Rapid detection and classification of per- and polyfluoroalkyl substances (PFAS) are important for monitoring their concentrations at potential contamination sites due to their severe impact on environmental and health safety.
Metal-doped Co9S8/MXene nanocomposites for high-performance electrochemical capacitor electrode materials
Authors: Yang Qun , Ji Yuan , Zhang Wei , Li Fan , Zhou Min , Ma Lina , Dong Jidong , Jiang Zaixing
Published: May 2024

We synthesize Co9S8/MXene nanohybrids using a straightforward one-step solvothermal method, employing MXene nanosheets as a conducting substrate.
High-yielding regioselective synthesis of p-quinone fused 5-substituted-1,4-benzodiazepine scaffolds via Pictet–Spengler type cycloannulation
Authors: Krishnan Ashokkumar , Kamaraj Sriraghavan
Published: May 2024

We designed a robust protocol to access p-quinone fused 5-substituted-1,4-benzodiazepine scaffolds, a new molecular hybrid, through InCl3 mediated Pictet–Spengler type cycloannulation of 2-amino-3-arylamino-p-quinone and aldehydes.
Computational prediction of phosphorene and graphene-like AsP3 monolayers
Authors: Asghar Syed Ali , Jalil Abdul , Ain Noor Ul , Kanwal Arooba
Published: May 2024

The crystal structure for phosphorene and graphene-like AsP3, their charge distribution and suitability as photocatalysts.
Adsorption of Congo Red by chitosan porous beads reinforced with epoxy resin
Authors: Huang Yaoge , Shama Wuga
Published: May 2024

This study prepared epoxy resin reinforced porous beads (CERBs) by crosslinking a water-soluble epoxy monomer, 1,4-butanediol diglycidyl ether (BDE), with chitosan (CS) using isophorone diamine (IPD) as a crosslinking agent.
Covalently cross-linked ultrastrong SiO2-loaded polyvinyl alcohol fibers via microfluidic spinning
Authors: Liu Heng , Lu Ling-Yu , Zhang Yujiao , Zhao Jin , Liu Chang , Zhu Liangliang , Li Qing , Chen Su
Published: May 2024

Covalently cross-linked ultrastrong PVA/KH560-SiO2 fibers are prepared by microfluidic spinning chemistry and thermal stretching.
Surface coating induced room-temperature phosphorescence in flexible organic single crystals
Authors: Samadder Prodipta , Naim Khalid , Sahoo Subash Chandra , Neelakandan Prakash P.
Published: May 2024

A simple and facile surface coating protocol imparts visual room-temperature phosphorescence to flexible organic single crystals, and allows their application in colour-tunable optical waveguiding and anti-counterfeiting.
Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes
Authors: Gisbert Yohan , Simón Marqués Pablo , Baccini Caterina , Abid Seifallah , Saffon-Merceron Nathalie , Rapenne Gwénaël , Kammerer Claire
Published: May 2024

The development of a copper-catalysed direct hexaarylation of cyclopentadiene under microwave activation allowed the synthesis of a family of unprecedented hexaarylcyclopentadienes.
Do Acoustic Characteristics of Dysarthria in People With Parkinson's Disease Differ Across Languages?
Authors: Pinto Serge , Cardoso Rita , Atkinson-Clement Cyril , Guimarães Isabel , Sadat Jasmin , Santos Helena , Mercier Céline , Carvalho Joana , Cuartero Marie-Charlotte , Oliveira Pedro , Welby Pauline , Frota Sónia , Cavazzini Emilie , Vigário Marina , Letanneux Alban , Cruz Marisa , Brulefert Coralie , Desmoulins Morgane , Martins Isabel Pavão , Rothe-Neves Rui , Viallet François , Ferreira Joaquim J.
Published: May 2024

Purpose:

Cross-language studies suggest more similarities than differences in how dysarthria affects the speech of people with Parkinson's disease (PwPD) who speak different languages. In this study, we aimed to identify the relative contribution of acoustic variables to distinguish PwPD from controls who spoke varieties of two Romance languages, French and Portuguese.

Method:

This bi-national, cross-sectional, and case-controlled study included 129 PwPD and 124 healthy controls who spoke French or Portuguese. All participants underwent the same clinical examinations, voice/speech recordings, and self-assessment questionnaires. PwPD were evaluated
off
and
on
optimal medication. Inferential analyses included Disease (controls vs. PwPD) and Language (French vs. Portuguese) as factors, and random decision forest algorithms identified relevant acoustic variables able to distinguish participants: (a) by language (French vs. Portuguese) and (b) by clinical status (PwPD
on
and
off
medication vs. controls).

Results:

French-speaking and Portuguese-speaking individuals were distinguished from each other with over 90% accuracy by five acoustic variables (the mean

fundamental frequency and the shimmer of the sustained vowel /a/ production, the oral diadochokinesis performance index, the relative sound level pressure and the relative sound pressure level standard deviation

of the text reading). A distinct set of parameters discriminated between controls and PwPD: for men, maximum phonation time and the oral diadochokinesis speech proportion were the most significant variables; for women, variables calculated from the oral diadochokinesis were the most discriminative.

Conclusions:

Acoustic variables related to phonation and voice quality distinguished between speakers of the two languages. Variables related to pneumophonic coordination and articulation rate were the more effective in distinguishing PwPD from controls. Thus, our research findings support that respiration and diadochokinesis tasks appear to be the most appropriate to pinpoint signs of dysarthria, which are largely homogeneous and language-universal. In contrast, identifying language-specific variables with the speech tasks and acoustic variables studied was less conclusive.
Coordinated reactive power control for hybrid cascaded high‐voltage direct‐current links in weak AC grids
Authors: Fan Xiaojie , Chi Yongning , Wang Zhibing
Published: May 2024

The hybrid cascaded high‐voltage direct‐current (HC‐HVDC) links are recently introduced for ultra‐high voltage bulky power transmissions. However, as wind power becomes more prevalent, the grid is gradually weakened and will face voltage stability issues. This paper proposes a coordinated reactive power control strategy for HC‐HVDC links to enhance the voltage stability of AC bus. Firstly, the impact of HC‐HVDC on the static voltage stability of the AC bus is studied by the voltage sensitivity coefficient. Then, the limitation of reactive power capability of modular multilevel converter in the HC structure is identified. Based on the analysis results, a coordinated reactive power control strategy based on adaptive voltage droop is proposed. In the strategy, the DC voltage ratio is regulated according to the fluctuation degree of the AC bus voltage to adjust the reactive power of HC‐HVDC, which realized the dynamic voltage support for the AC bus. Finally, electromagnetic simulations in power systems computer aided design (PSCAD)/electromagnetic transients including DC (EMTDC) are performed, and the results validate the theoretical findings and the effectiveness of the control strategy.
Spatial sensitivity synthesis based on alternate projection for the machine‐learning‐based coding digital receiving array
Authors: Xiao Lei , Han Yubing , Zhang Shurui
Published: May 2024

Recently, a novel low‐cost coding digital receiving array based on machine learning (ML‐CDRA) has been proposed to reduce the required radio frequency channels in modern wireless systems. The spatial sensitivity of ML‐CDRA is studied which describes the spatial accumulation gain in different directions. It is demonstrated that the spatial sensitivity is determined by the encoding network, decoding network, and beamforming criterion. To obtain the desired spatial sensitivity, a spatial sensitivity synthesis method is proposed based on the alternate projection by optimising the encoding network with the constraint of amplitude‐phase quantisation. Simulation results show that the proposed method can significantly improve the spatial sensitivity of ML‐CDRA. Furthermore, in the directions of interest, the spatial accumulation gain of ML‐CDRA can exceed the full‐channel digital receiving array.
Paclitaxel – a Product of Fungal Secondary Metabolism or an Artefact?#
Authors: Gärditz Klaus Ferdinand , Czesnick Hjördis
Published: May 2024

Taxol (common name: paclitaxel) is an extremely important component of drugs for the treatment of various cancers. Thirty years after the discovery of its effectiveness, a metabolic precursor of Taxol (10-deacetylbaccatin III) is still primarily extracted from needles of European yew trees. In order to meet the considerable demand, hopes were pinned on the possibilities of biotechnological production from the very beginning. In 1993, as if by chance, Taxol was supposedly discovered in fungi that grow endobiotically in yew trees. This finding aroused hopes of biotechnological use to produce fungal Taxol in large quantities in fermenters. It never came to that. Instead, a confusing flood of publications emerged that claimed to have detected Taxol in more and more eukaryotic and even prokaryotic species. However, researchers never reproduced these rather puzzling results, and they could certainly not be applied on an industrial scale. This paper will show that some of the
misguided approaches were apparently based on a seemingly careless handling of sparse evidence and on at least questionable publications. Apparently, the desired gold rush of commercial exploitation was seductive. Scientific skepticism as an indispensable core of good scientific practice was often neglected, and the peer review process has not exerted its corrective effect. Self-critical reflection and more healthy skepticism could help to reduce the risk of such aberrations in drug development. This article uses this case study as a striking example to show what can be learned from the Taxol case in terms of research ethics and the avoidance of questionable research practices.
Generation of Carbamoyl Radicals and 3,4-Dihydroquinolin-2(1H)-ones Enabled by Iron Photoredox Catalysis
Authors: Cai Tao , Feng Gaofeng , Fu Yanhua , Zhang Chao
Published: May 2024

A new protocol for accessing 3,4-dihydroquinolin-2(1H)-ones was established through a sequence of iron-catalyzed photoredox generation of carbamoyl radicals from oxamic acids, addition of the carbamoyl radicals to electron-deficient alkenes, intramolecular cyclization, and aromatization. The process is compatible with a variety of N-phenyloxamic acids and monosubstituted, 1,1-disubstituted, and trisubstituted electron-deficient alkenes. Employing cheap, readily available, and environmentally benign iron as the catalyst, the protocol provides an excellent alternative for synthesis of 3,4-dihydroquinolin-2(1H)-ones.
‘Mr Rules’: Keir Starmer and the juridification of politics
Authors: Johnson Jamie M. , Thomas Owen D. , Basham Victoria M.
Published: May 2024

Keir Starmer’s moniker of ‘Mr Rules’ captures his deep investment in a rules-based form of politics that seeks to uphold established standards of probity and competency in public office. Rather than a mere tactic of opposition politics, we argue that it is symptomatic of the juridification of politics. By this we mean the ceding of the terrain of politics to the seemingly superior and separate domains of law and administration. Drawing upon and extending existing analyses of depoliticisation and unpolitics, the juridification of politics marks the abandonment of consciously values-based politics in favour of a reliance upon legal and quasi-legal (i.e. rules, norms, conventions, procedures) means to address substantive matters of public policy. Crucially, we locate this trend as a consequence of the neoliberal way of politics in which the task of governing in a post-ideological age is reduced to administration. This is significant, we conclude, because such an approach is incapable of responding to the intersecting crises confronting national and international politics.
Multiplying vortex beams by diffraction from almost periodic structures: Theory and experiment
Authors: Samadzadeh Mohsen , Rasouli Saifollah , Hebri Davud , Ponomarenko Sergey A.
Published: May 2024

We advance theoretically and verify experimentally a protocol for generating arrays of self-similar light beams with the aid of almost periodic structures (APSs), which we refer to as pure amplitude 2N-gonal APSs. We illustrate our general results by realizing a circular array of exact replicas of a Laguerre–Gaussian source beam and registering good agreement between the theory and experiment. Our work carries promise for optical communications, optical tweezing, multi-particle trapping, screening, and micro-manipulation.
Single shot depth-resolved imaging through dynamic turbid media
Authors: Li Runze , Peng Tong , Bai Chen , Zhou Meiling , Yu Xianghua , Min Junwei , Yang Yanlong , Yao Baoli
Published: May 2024

Guide star assisted wavefront shaping techniques have been exploited for focusing and imaging through turbid media by addressing a scatter inverse pattern. However, the turbid medium is required to be steady before finding the proper correction pattern, which limits applications in focusing and imaging through dynamic media, such as turbid water or blood. This study proposes a holography-based dual-polarization computational wavefront shaping method for imaging objects at variant depths behind dynamic turbid media. The orthogonal polarized output speckles of a point source (considered as a guide star) and an object are simultaneously recorded in holograms in separate regions of a single CCD camera. The holograms of the point source and object are subjected to the same distortion regardless of whether the media is static or dynamic. The hologram of the point source is used to determine the correction phase pattern for the distortion, while that of the object is used to record the complex scattered wavefront of the object. To reconstruct a clear object image, the wavefront of the scattered object is digitally corrected using the correction phase pattern and is then transferred to the image plane by calculating the transmission of the angular spectrum. Benefiting from the autofocusing feature of digital holography, objects at different depths can be recovered from a single shot hologram pair. The potential applications of the proposed method in diverse dynamic scattering media are demonstrated by imaging through a moving diffuser, turbid water, and pig blood with optical depth beyond 10.
Defect dynamics in the presence of excess energetic carriers and high electric fields in wide-gap semiconductors
Authors: O’Hara Andrew , Schrimpf Ronald D. , Fleetwood Daniel M. , Pantelides Sokrates T.
Published: May 2024

Irradiation of semiconductors by energetic beams generates excess electrons and holes and may cause device degradation or failure. Both gradual degradation by total ionizing radiation (TID) and sudden degradation/failure (soft/hard breakdown) by a combination of energetic heavy ions and high voltages (typically single-event effects or SEEs) are mediated by excess carriers. The role of defect dynamics in TID degradation has been adequately understood by a combination of experiments and density-functional-theory (DFT) quantum calculations, but little has been done so far to document a role for ion-induced defects in SEE. Here, we report proof-of-principle DFT calculations in a model cubic GaN system for two defect-related excess-carrier phenomena that can play a role in various forms of device degradation and failure. The first phenomenon is the existence, dynamics, and potential roles of defect-induced quasi-localized “resonant states” in the energy-band continua. These states can enhance TID-excess-carrier and hot-carrier degradation. Furthermore, they evolve and multiply during energetic-ion-induced atom recoils and defect creation (displacement damage) and can potentially serve as excess-carrier conduction paths in SEE. The second phenomenon is the conversion of isolated vacancies into nanovoids that can participate in the formation of conducting defect “nanowires” dressed by resonances or in explosive SEE hard breakdowns.
Two co-existing and opposing mechanisms of proton transfer in one-dimensional open-end water chains
Authors: Yang Xinrui , Yu Famin , Wang Lu , Liu Rui , Xin Yue , Li Rui , Shi Yulei , Wang Zhigang
Published: May 2024

The proton transport in one-dimensional (1D) confined water chains has been extensively studied as a model for ion channels in cell membrane and fuel cell. However, the mechanistic understanding of the proton transfer (PT) process in 1D water chains remains incomplete. In this study, we demonstrate that the two limiting structures of the hydrated excess proton, H5O2+ (Zundel) and H3O+ (linear H7O3+), undergo a change in dominance as the water chain grows, causing two co-existing and opposing PT mechanisms. Specifically, H5O2+ is stable in the middle of the chain, whereas H3O+ serves as a transition state (TS). Except for this region, H3O+ is stabilized while H5O2+ serves as a TS. The interaction analysis shows that the electrostatic interaction plays a crucial role in the difference in PT mechanisms. Our work fills a knowledge gap between the various PT mechanisms reported in bulk water and long 1D water chains, contributing to a deeper understanding of biological ion channels at the atomic level.
Quasi-degenerate extension of local N-electron valence state perturbation theory with pair-natural orbital method based on localized virtual molecular orbitals
Authors: Hayashi Manami , Saitow Masaaki , Uemura Kazuma , Yanai Takeshi
Published: May 2024

Chemical phenomena involving near-degenerate electronic states, such as conical intersections or avoided crossing, can be properly described using quasi-degenerate perturbation theory. This study proposed a highly scalable quasi-degenerate second-order N-electron valence state perturbation theory (QD-NEVPT2) using the local pair-natural orbital (PNO) method. Our recent study showed an efficient implementation of the PNO-based state-specific NEVPT2 method using orthonormal localized virtual molecular orbitals (LVMOs) as an intermediate local basis. This study derived the state-coupling (or off-diagonal) terms to implement QD-NEVPT2 in an alternative manner to enhance efficiency based on the internally contracted basis and PNO overlap matrices between different references. To facilitate further acceleration, a local resolution-of-the-identity (RI) three-index integral generation algorithm was developed using LMOs and LVMOs. Although the NEVPT2 theory is considered to be less susceptible to the intruder-state problem (ISP), this study revealed that it can easily suffer from ISP when calculating high-lying excited states. We ameliorated this instability using the imaginary level shift technique. The PNO-QD-NEVPT2 calculations were performed on small organic molecules for the 30 lowest-lying states, as well as photoisomerization involving the conical intersection of 1,1-dimethyldibenzo[b,f] silepin with a cis-stilbene skeleton. These calculations revealed that the PNO-QD-NEVPT2 method yielded negligible errors compared to the canonical QD-NEVPT2 results. Furthermore, we tested its applicability to a large photoisomerization system using the green fluorescent protein model and the ten-state calculation of the large transition metal complex, showcasing that off-diagonal elements can be evaluated at a relatively low cost.
Experimental and theoretical studies on the compatibility of DNTF and typical hydrocarbon polymer binders
Authors: Zhang Liang , Ma Xiaoyan , Wang Xiaofeng , Nan Hai , Tao Jun , Niu Guotao , Jiang Fan
Published: May 2024

3,4-bis(3-nitrofurazan-4-yl) furoxan (DNTF) is one of the third-generation energetic compounds with excellent comprehensive properties, which can be added to polymer bonded explosive (PBX) to improve energy levels and regulate sensitivity, so the compatibility of DNTF with other components in PBX, especially the binder, is the first question. Herein, two typical hydrocarbon polymers commonly used in PBX, which are hydroxyl-terminated polybutadiene (HTPB) and polyisobutylene (PIB), were selected as the binder, and the compatibility of HTPB and PIB with DNTF was investigated by differential scanning calorimetry (DSC), the vacuum stability test (VST), and in situ infrared spectroscopy (in situ IR). The results of compatibility experiments were verified by using the binding energy and solubility parameter criteria in molecular dynamics (MD). Experimental and MD simulation results showed that DNTF could be compatible with PIB but incompatible with HTPB. The frontier molecular orbital theory in quantum chemistry (QC) was adopted to explore the frontier orbital electron distribution and energy levels of DNTF/HTPB and DNTF/PIB composite systems to better understand the microscopic compatibility mechanism. The compatibility results of the two composite systems were explained from the perspective of electron transfer. All these can deduce that a hydrocarbon polymer binder with a saturated carbon–hydrogen bond at the end of the molecular chain has good compatibility with DNTF, compared with a hydroxyl group, which has bad compatibility with DNTF.
Multi-optimization of rod fastened rotor on the distribution of bending stiffness and unbalance
Authors: Li Jiaqi
Published: May 2024

A rod fastened rotor (RFR), which contains serial disks, rods (or a rod), and a torque tube, is the main form of heavy duty gas turbines and light duty aero engines. The roughness of the interface is the main parameter affecting the bending stiffness of RFR, and the jumpiness of the disks is the intuitive representation of the unbalance of the rotor. In this paper, a multi-optimization algorithm, NSGA-Ⅱ, was used to improve the vibration behavior of the RFR-bearing system. First, the quantitative relation between the bending stiffness of the rotor and the roughness of the interface was set up by combining the Persson contact theory and the Greenwood–Williamson model, and the nondimensional bending stiffness (NS) was proposed as the optimization objective of roughness. Then, the optimization objective of the jumpiness of the disk, (A + B), was rendered based on the minimum unbalance force. Finally, the multi-optimization on the roughness and jumpiness of the RFR was carried out, and the vibration behavior was improved greatly. In addition, this multi-optimization method was applied to a practical RFR, and the experimental results showed that the vibration amplitude was reduced by about 82%. The work in this paper can provide the guidance for vibration reduction of the rotor system.
Terahertz fingerprint reveals the effect of alcohols on sodium ions hydration shell
Authors: Yan Yuyue , Chen Ligang , Zhang Jiaqi , Ren Guanhua , Zhou Lu , Liu Liyuan , Zhang Xueqian , Ouyang Chunmei , Wang Huabin , Han Jiaguang
Published: May 2024

Ion hydration plays a crucial role in numerous fundamental processes. Various spectroscopic methods are employed to investigate the slowing down of hydration bond dynamics in the proximity of both anions and cations. To date, most of these studies have primarily focused on the properties of binary systems. However, in comparison to ion–water binary systems, ternary systems that involve ions, water, and organic matter are more prevalent in nature and provide more realistic insights into biological processes. This study focuses on ion hydration in water and alcohol mixture using terahertz spectroscopy and x-ray diffraction (XRD). The results reveal a distinct behavior depending on the type of alcohol used. Specifically, the presence of both methanol and ethanol results in the disappearance of absorption peaks associated with NaCl hydrate at low temperatures. In contrast, tert-butanol does not exhibit such an effect, and isopropanol demonstrates a more complex response. By combining these terahertz spectroscopic findings with low-temperature XRD data, we gain insights into the formation, or lack thereof, of NaCl · 2H2O hydrate crystals. Crucially, our observations suggest a dominant correlation between the polarity of the alcohol molecules and its impact on the Na+ hydration. Strongly polar alcohols preferentially solvating the Na+ ion lead to the failure of hydrate formation, while weakly polar alcohols do not have this effect.
Tunable and narrowband shortwave infrared light sensing enabled by dual-Fano resonance enhanced sum-frequency generation
Authors: Hu Xin , Li Ning , Li Yiwei , Ren Mingyang , Lu Ying , Li Haixing , Chen Qian , Sui Xiubao
Published: May 2024

Tunable and narrowband light detection provides a means of selectively detecting optical signals at a specific wavelength, enabling a precise tool for object identification, machine vision, spectroscopy, and so on. Simultaneous tunable and narrowband response in shortwave infrared (SWIR) detectors is critical yet still challenging. This work utilizes dual-Fano resonance enhanced sum-frequency generation in a two-layer structure comprising a silicon metasurface and a two-dimensional (2D) nonlinear GaSe layer to realize tunable and narrowband light detection in the SWIR range. The silicon metasurface affords a high-quality-factor dual-Fano resonance in the SWIR regime, which enhances the near-field optical density of the two resonant wavelengths (pump and signal) when passing through the 2D nonlinear layer, leading to drastically enhanced sum-frequency generation. The sum-frequency light at a visible wavelength that contains the information of the SWIR signal light, can then be detected by a low-noise visible detector. The tunability and selectivity in the response spectrum stem from the geometry-dependent dual-Fano resonance in the silicon metasurface, covering the 1200–1550 nm range. The upconversion detector exhibits a sub-nanometer narrowband detection with a full width at half maximum of down to ∼0.1 nm, owing to the high quality factor of the Fano resonances. This SWIR narrowband detection is one of the best performances reported so far, much narrower than commercial filter products. The peak value of the specific detectivity of 1.5 × 1012 Jones at 1256.3 nm is achieved, comparable to broadband commercial InGaAs detectors. The detector designs in this work open up the opportunity of upconversion sensors for delicate spectroscopic applications.
Noise reduction by bias cooling in gated Si/Six Ge1−x quantum dots
Authors: Ferrero Julian , Koch Thomas , Vogel Sonja , Schroller Daniel , Adam Viktor , Xue Ran , Seidler Inga , Schreiber Lars R. , Bluhm Hendrik , Wernsdorfer Wolfgang
Published: May 2024

Silicon–germanium heterostructures are a promising quantum circuit platform, but crucial aspects, such as the long-term charge dynamics and cooldown-to-cooldown variations, are still widely unexplored quantitatively. In this Letter, we present the results of an extensive bias cooling study performed on gated silicon–germanium quantum dots with an Al2O3 dielectric. Over 80 cooldowns were performed in the course of our investigations. The performance of the devices is assessed by low-frequency charge noise measurements in the band of 200 μHz to 10 mHz. We measure the total noise power as a function of the applied voltage during cooldown in four different devices and find a minimum in noise at 0.7 V bias cooling voltage for all observed samples. We manage to decrease the total noise power median by a factor of 6 and compute a reduced tunneling current density using Schrödinger–Poisson simulations. Furthermore, we show the variation in noise from the same device in the course of eleven different cooldowns performed under the nominally same conditions.
Droplet dynamics passing through the flexible constriction in the channel
Authors: Wang Huili , Ma Yufei , Huang Haibo
Published: May 2024

We conducted a numerical investigation into droplet dynamics within a flexible constriction using the phase-field lattice Boltzmann method. Our study focused on constriction bending stiffness, Weber number, and constriction-to-droplet diameter ratio. Flexibility impedes droplet passage at low Weber numbers but significantly facilitates it at moderate and high Weber numbers. Passage times decrease with increasing Weber numbers and are proportional to the droplet's maximum deformed length. An anomalous phenomenon is observed: “more haste, less speed.” The underlying mechanics arising from the interaction between the flexible constriction and the droplet are elucidated. The findings enhanced our understanding of droplet behavior in constrained environments.