bluuebunny/crossref_metadata_2025 huggingface dataset:
The Law of Nations in the Diplomacy of the American Revolution
Authors: Lyons Benjamin C.
Published: October 2024

Historians have long known that leaders of the American Revolution looked to the law of nations for insight into the rights and obligations of independent states. In so doing, Americans relied largely on the writings of European legal theorists, such as Hugo Grotius and Emerich de Vattel, whose treatises on the law of nations are regarded today as having laid the foundations of international law. As this article demonstrates, however, early modern statesmen did not base their conduct on such treatises, but on a customary law of nations that they derived from precedent and the text of earlier treaties. This article elucidates the distinction between the customary and theoretical branches of the law of nations. It then goes on to examine the law of nations’ impact on revolutionary-era diplomacy, drawing particular attention to a series of wartime negotiations over rights to the Mississippi River. As the article shows, most American emissaries lacked experience with the customary laws of diplomacy and struggled to use that law effectively in their negotiations. The most serious consequences were averted due in part to French legal advice, and because one American, John Jay, acquired enough competence in customary law to guide his colleagues toward an effective negotiation of peace.
Restitution of African Cultural Heritage: Revisiting Natural Law Concepts of Statehood and Property in the Context of Colonial Spoliation
Authors: Danda Clemens
Published: October 2024

In the late nineteenth century, Western Powers launched military campaigns in sub-Saharan Africa resulting in the colonization of vast territories and the spoliation of cultural property. To justify the conquest, they asserted the supremacy of Western culture and disregarded principles of international law in their dealings with African states, communities, and individuals. This article examines colonialist legal justifications such as the denial of statehood of pre-colonial sub-Saharan African societies, the notion that conquest and spoliation were justifiable, and the belief that African legal systems lacked concepts of property. The article details why these arguments contradict well-established nineteenth-century legal principles, particularly state sovereignty and private property, which together form the conceptual basis for the prohibition of spoliation. The universal nature of those principles allows for the nondiscriminatory application and interpretation of historical law and consequently the protection of African pre-colonial states and private as well as public cultural property.
Identification of Chinese dietary patterns and their relationships with health outcomes: a systematic review and meta-analysis
Authors: Hu Xue Feng , Zhang Rui , Chan Hing Man
Published: October 2024

Objective:

China has been undergoing a rapid nutrition transition in the past few decades. This review aims to characterise commonly reported dietary patterns in Chinese populations and their associations with health outcomes.

Design:

We searched PubMed, Embase and CNKI from inception to June 2020 to identify observational studies reporting dietary patterns or the associations between dietary patterns and health outcomes. Information regarding dietary patterns, their association with health outcomes and other related items was collected.

Setting:

Chinese population and Chinese immigrants.

Participants:

Not applicable.

Results:

Results from 130 studies with over 900 000 participants were included. Six dietary patterns were identified: traditional whole-grain diet (Traditional WG), traditional non-whole-grain diet (Traditional NWG), plant-based diet (Plant-based), animal food diet (Animal-food), Western energy-dense diet (Western) and other unclassified diets (Unclassified). The Plant-based diet was associated with a reduced risk of CVD and cancer from prospective studies, reduced risk of diabetes, hypertension, cognitive impairment and depressive symptoms from all study designs. The Traditional WG diet was associated with a reduced risk of diabetes and hypertension. Animal-food diet is associated with a range of metabolic diseases, and Western diet was associated with increased risks of obesity and depressive symptoms.

Conclusion:

Multiple dietary patterns identified reflect the diversity and transitioning of the Chinese diet. A healthy Chinese diet, comprising both the Traditional WG and Plant-based diets, was associated with reduced risks of specific undesirable health outcomes. Promoting this healthy diet will improve public health among the Chinese populations.
Juvenile exposure to low-level 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) alters behavior and longitudinal morphometrics in zebrafish and F1 offspring
Authors: Meyer Danielle N. , Silva Isabela , Vo Brianna , Paquette Amelia , Blount Jessica R. , George Serena E. , Gonzalez Gabrielle , Cavaneau Emma , Khalaf Aicha , Petriv Anna-Maria , Wu Chia-Chen , Haimbaugh Alex , Baker Tracie R.
Published: October 2024

Exposure to 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD), an environmental endocrine disruptor and model AhR agonist, is linked to skeletal abnormalities, cardiac edema, stunted growth rate, altered metabolism, and neurobehavioral deficits. We have previously reported transgenerational reproductive outcomes of developmental TCDD exposure in adult zebrafish (Danio rerio), an NIH-validated model for developmental and generational toxicology. Using the same paradigm of sublethal TCDD exposure (50 pg/ml) at both 3 and 7 weeks post fertilization (wpf), we investigated several novel endpoints, including longitudinal morphometrics and anxiety-linked behavior, in fish exposed as juveniles. We also assessed developmental abnormalities and neurobehavior in their F1 larval offspring. TCDD exposure induced timepoint-dependent decreases in several craniofacial and trunk morphometrics across juvenile development. In early adulthood, however, only exposed males underwent a transient period of compensatory growth, ending between 7 and 12 months post fertilization (mpf). At 12 mpf, exposed adult fish of both sexes displayed increased exploratory behaviors in a novel tank test. The F1 offspring of parents exposed at both 3 and 7 wpf were hyperactive, but neurobehavioral outcomes diverged depending on parental exposure window. F1 exposure-lineage larvae had increased rates of edema and skeletal abnormalities, but fewer unhatched larvae compared to controls. Parent- and timepoint-specific effects of exposure on abnormality rate were also evaluated; these outcomes were considerably less severe. Our novel behavioral findings expand current knowledge of the long-term and intergenerational consequences of early-life TCDD exposure in a zebrafish model, in addition to delineating minor longitudinal morphometric changes in exposed fish and abnormalities in larval offspring.
Exploring Global Data Sets to Detect Changes in Soil Microbial Carbon and Nitrogen Over Three Decades
Authors: Shi Wenjiao , Gao Decai , Zhang Zhen , Ding Jinzhi , Zhao Chunhong , Wang Huimin , Hagedorn Frank
Published: October 2024

Understanding the temporal dynamics of soil microbial biomass is crucial for assessing soil ecosystem functions and services, yet these dynamics are globally uncertain. Here, we compiled a data set of soil microbial biomass carbon (MBC) and nitrogen (MBN) from 1493 studies between 1988 and 2019 to elucidate their temporal trends and potential drivers. Results showed that global MBC and MBN significantly decreased by 0.033 Mg C ha−1 yr−1 and 0.007 Mg N ha−1 yr−1 at 0–30 cm soil depth, between 1988 and 2019, respectively, which might be primarily attributed to the warming of the climate, the increase in global precipitation, and reduction of soil organic carbon (SOC) stock. The rate of decline in MBC and MBN showed a non‐linear trend: following a decline from 1988 to 1999, it slowed down until 2014, likely due to the global warming hiatus. Afterward, the pace of decline increased again from 2015 to 2019. Boreal biomes experienced the largest decrease in soil microbial biomass with the reduction rate of MBC being 4.3 times higher than in temperate biomes, showing a higher sensitivity in boreal biomes to climate change. Grassland ecosystems also exhibited greater reductions, possibly driven by their degradation. These findings shed valuable insights on the long‐term dynamics of soil microbial biomass on a global scale over the last three decades. Furthermore, this study underscores the importance of preserving soil microbial biomass as a key strategy to mitigate the adverse effects of future climate change, thereby sustaining ecosystem health and resilience.
Glutamate concentration of medial prefrontal cortex is inversely associated with addictive behaviors: a translational study
Authors: Zhou Hui , Hong Tiantian , Chen Xi , Su Conghui , Teng Binyu , Xi Wan , Cadet Jean Lud , Yang Yihong , Geng Fengji , Hu Yuzheng
Published: October 2024

In both preclinical and clinical settings, dysregulated frontostriatal circuits have been identified as the underlying neural substrates of compulsive seeking/taking behaviors manifested in substance use disorders and behavioral addictions including internet gaming disorder (IGD). However, the neurochemical substrates for these disorders remain elusive. The lack of comprehensive cognitive assessments in animal models has hampered our understanding of neural plasticity in addiction from these models. In this study, combining data from a rat model of compulsive taking/seeking and human participants with various levels of IGD severity, we investigated the relationship between regional glutamate (Glu) concentration and addictive behaviors. We found that Glu levels were significantly lower in the prelimbic cortex (PrL) of rats after 20-days of methamphetamine self-administration (SA), compared to controls. Glu concentration after a punishment phase negatively correlated with acute drug-seeking behavior. In addition, changes in Glu levels from a drug naïve state to compulsive drug taking patterns negatively correlated with drug-seeking during both acute and prolonged abstinence. The human data revealed a significant negative correlation between Glu concentration in the dorsal anterior cingulate cortex (dACC), the human PrL counterpart, and symptoms of IGD. Interestingly, there was a positive correlation between Glu levels in the dACC and self-control, as well as mindful awareness. Further analysis revealed that the dACC Glu concentration mediated the relationship between self-control/mindful awareness and IGD symptoms. These results provide convergent evidence for a protective role of dACC/PrL in addiction, suggesting interventions to enhance dACC glutamatergic functions as a potential strategy for addiction prevention and treatment.
Risk factors for endogenous endophthalmitis in infectious endocarditis patients
Authors: Shah Megh K. , Zhu Aretha , Uppuluri Aditya , Henry Roger K. , Zarbin Marco A. , Bhagat Neelakshi
Published: October 2024

Background/Objectives

The purpose of this study was to identify demographic variables and systemic comorbidities that may increase risk of endogenous endophthalmitis (EE) development in patients with infective endocarditis (IE).

Subjects/Methods

A retrospective database study was conducted using the 2002–2014 National Inpatient Sample (NIS). Patients with IE and EE were identified using ICD-9-CM codes. Descriptive chi-square and logistic regression analysis identified risk factors for EE in IE patients.

Results

Of 769,472 inpatients with a diagnosis of IE, 2248 had a diagnosis of EE. Women comprised 39.7% of IE patients without EE and 42.6% of those with EE (p = 0.005). The majority of IE cases with EE were in those 21–64-year-old (58.5%) age cohort and 67.4% of cases were Whites. Multivariate analysis revealed IE patients in the 21–64 (OR, 3.660) and 65+ age group (OR, 2.852) had increased risk of developing EE compared to the 0–20-year-old group. Hispanic (OR, 1.377) and Asian/Pacific Islander (OR, 1.620) patients had increased risk compared to White patients. Diabetes with (OR, 2.043) and without (OR, 1.433) chronic complications, alcohol use disorder (AUD; OR, 1.795), and cirrhosis (OR, 1.452) conferred an increased risk of developing EE, whereas, congestive heart failure (CHF; OR, 0.716), arrhythmia (OR, 0.678), and having a cardiac device (OR, 0.336) decreased risk of EE in IE subjects.

Conclusion

Older age (21+ years) and Hispanic and Asian/Pacific Islander background were associated with increased risk of developing EE in IE patients. Diabetes with and without chronic complications, AUD, or cirrhosis also conferred a 1.5–2 times increased risk. CHF, arrhythmia, or having a cardiac device were associated with decreased risk.
N-cadherin crosstalk with integrin weakens the molecular clutch in response to surface viscosity
Authors: Barcelona-Estaje Eva , Oliva Mariana A. G. , Cunniffe Finlay , Rodrigo-Navarro Aleixandre , Genever Paul , Dalby Matthew J. , Roca-Cusachs Pere , Cantini Marco , Salmeron-Sanchez Manuel
Published: October 2024

Mesenchymal stem cells (MSCs) interact with their surroundings via integrins, which link to the actin cytoskeleton and translate physical cues into biochemical signals through mechanotransduction. N-cadherins enable cell-cell communication and are also linked to the cytoskeleton. This crosstalk between integrins and cadherins modulates MSC mechanotransduction and fate. Here we show the role of this crosstalk in the mechanosensing of viscosity using supported lipid bilayers as substrates of varying viscosity. We functionalize these lipid bilayers with adhesion peptides for integrins (RGD) and N-cadherins (HAVDI), to demonstrate that integrins and cadherins compete for the actin cytoskeleton, leading to an altered MSC mechanosensing response. This response is characterised by a weaker integrin adhesion to the environment when cadherin ligation occurs. We model this competition via a modified molecular clutch model, which drives the integrin/cadherin crosstalk in response to surface viscosity, ultimately controlling MSC lineage commitment.
Chromosome-level baobab genome illuminates its evolutionary trajectory and environmental adaptation
Authors: Kitony Justine K. , Colt Kelly , Abramson Bradley W. , Hartwick Nolan T. , Petrus Semar , Konozy Emadeldin H. E. , Karimi Nisa , Yant Levi , Michael Todd P.
Published: October 2024

Baobab (Adansonia digitata) is a long-lived tree endemic to Africa with economic, ecological, and cultural importance, yet its genomic features are underexplored. Here, we report a chromosome-level reference genome anchored to 42 chromosomes for A. digitata, alongside draft assemblies for a sibling tree, two trees from distinct locations in Africa, and A. za from Madagascar. The baobab genome is uniquely rich in DNA transposons, which make up 33%, while LTR retrotransposons account for 10%. A. digitata experienced whole genome multiplication (WGM) around 30 million years ago (MYA), followed by a second WGM event 3–11 MYA, likely linked to autotetraploidy. Resequencing of 25 trees identify three subpopulations, with gene flow across West Africa distinct from East Africa. Gene enrichment and fixation index (Fst) analyses show baobab retained multiple circadian, flowering, and light-responsive genes, which likely support longevity through the UV RESISTANCE LOCUS 8 (UVR8) pathway. In sum, we provide genomic resources and insights for baobab breeding and conservation.
Integrated multimodal cell atlas of Alzheimer’s disease
Authors: Gabitto Mariano I. , Travaglini Kyle J. , Rachleff Victoria M. , Kaplan Eitan S. , Long Brian , Ariza Jeanelle , Ding Yi , Mahoney Joseph T. , Dee Nick , Goldy Jeff , Melief Erica J. , Agrawal Anamika , Kana Omar , Zhen Xingjian , Barlow Samuel T. , Brouner Krissy , Campos Jazmin , Campos John , Carr Ambrose J. , Casper Tamara , Chakrabarty Rushil , Clark Michael , Cool Jonah , Dalley Rachel , Darvas Martin , Ding Song-Lin , Dolbeare Tim , Egdorf Tom , Esposito Luke , Ferrer Rebecca , Fleckenstein Lynn E. , Gala Rohan , Gary Amanda , Gelfand Emily , Gloe Jessica , Guilford Nathan , Guzman Junitta , Hirschstein Daniel , Ho Windy , Hupp Madison , Jarsky Tim , Johansen Nelson , Kalmbach Brian E. , Keene Lisa M. , Khawand Sarah , Kilgore Mitchell D. , Kirkland Amanda , Kunst Michael , Lee Brian R. , Leytze Mckaila , Mac Donald Christine L. , Malone Jocelin , Maltzer Zoe , Martin Naomi , McCue Rachel , McMillen Delissa , Mena Gonzalo , Meyerdierks Emma , Meyers Kelly P. , Mollenkopf Tyler , Montine Mark , Nolan Amber L. , Nyhus Julie K. , Olsen Paul A. , Pacleb Maiya , Pagan Chelsea M. , Peña Nicholas , Pham Trangthanh , Pom Christina Alice , Postupna Nadia , Rimorin Christine , Ruiz Augustin , Saldi Giuseppe A. , Schantz Aimee M. , Shapovalova Nadiya V. , Sorensen Staci A. , Staats Brian , Sullivan Matt , Sunkin Susan M. , Thompson Carol , Tieu Michael , Ting Jonathan T. , Torkelson Amy , Tran Tracy , Valera Cuevas Nasmil J. , Walling-Bell Sarah , Wang Ming-Qiang , Waters Jack , Wilson Angela M. , Xiao Ming , Haynor David , Gatto Nicole M. , Jayadev Suman , Mufti Shoaib , Ng Lydia , Mukherjee Shubhabrata , Crane Paul K. , Latimer Caitlin S. , Levi Boaz P. , Smith Kimberly A. , Close Jennie L. , Miller Jeremy A. , Hodge Rebecca D. , Larson Eric B. , Grabowski Thomas J. , Hawrylycz Michael , Keene C. Dirk , Lein Ed S.
Published: October 2024

Alzheimer’s disease (AD) is the leading cause of dementia in older adults. Although AD progression is characterized by stereotyped accumulation of proteinopathies, the affected cellular populations remain understudied. Here we use multiomics, spatial genomics and reference atlases from the BRAIN Initiative to study middle temporal gyrus cell types in 84 donors with varying AD pathologies. This cohort includes 33 male donors and 51 female donors, with an average age at time of death of 88 years. We used quantitative neuropathology to place donors along a disease pseudoprogression score. Pseudoprogression analysis revealed two disease phases: an early phase with a slow increase in pathology, presence of inflammatory microglia, reactive astrocytes, loss of somatostatin+ inhibitory neurons, and a remyelination response by oligodendrocyte precursor cells; and a later phase with exponential increase in pathology, loss of excitatory neurons and Pvalb+ and Vip+ inhibitory neuron subtypes. These findings were replicated in other major AD studies.
Using mobile EEG to study auditory work strain during simulated surgical procedures
Authors: Rosenkranz Marc , Haupt Thorge , Jaeger Manuela , Uslar Verena N. , Bleichner Martin G.
Published: October 2024

Surgical personnel face various stressors in the workplace, including environmental sounds. Mobile electroencephalography (EEG) offers a promising approach for objectively measuring how individuals perceive sounds. Because surgical performance does not necessarily decrease with higher levels of distraction, EEG could help guide noise reduction strategies that are independent of performance measures. In this study, we utilized mobile EEG to explore how a realistic soundscape is perceived during simulated laparoscopic surgery. To examine the varying demands placed on personnel in different situations, we manipulated the cognitive demand during the surgical task, using a memory task. To assess responses to the soundscape, we calculated event-related potentials for distinct sound events and temporal response functions for the ongoing soundscape. Although participants reported varying degrees of demand under different conditions, no significant effects were observed on surgical task performance or EEG parameters. However, changes in surgical task performance and EEG parameters over time were noted, while subjective results remained consistent over time. These findings highlight the importance of using multiple measures to fully understand the complex relationship between sound processing and cognitive demand. Furthermore, in the context of combined EEG and audio recordings in real-life scenarios, a sparse representation of the soundscape has the advantage that it can be recorded in a data-protected way compared to more detailed representations. However, it is unclear whether information get lost with sparse representations. Our results indicate that sparse and detailed representations are equally effective in eliciting neural responses. Overall, this study marks a significant step towards objectively investigating sound processing in applied settings.
Retraction: PEG-poly(amino acid)s/EpCAM aptamer multifunctional nanoparticles arrest the growth and metastasis of colorectal cancer
Authors: Zhang Yingru , Li Chunpu , Jia Ru , Gao Ruixuan , Zhao Yiyang , Ji Qing , Cai Jianfeng , Li Qi , Wang Yan
Published: October 2024

Retraction of ‘PEG-poly(amino acid)s/EpCAM aptamer multifunctional nanoparticles arrest the growth and metastasis of colorectal cancer’ by Yingru Zhang et al., Biomater. Sci., 2021, 9, 3705–3717, https://doi.org/10.1039/D1BM00160D.
Tetrazine-based linkers as intrinsically tagged alternatives for click functionalization of metal–organic frameworks
Authors: Gómez-Tenés Guillermo , Gimeno-Fonquernie Pol , Misturini Alechania , Chinchilla-Garzón Clara , Carratalá Víctor , Cisneros Larisha , Martí-Gastaldo Carlos
Published: October 2024

Tetrazine-based linkers as intrinsically tagged alternatives to integrate post-synthetic framework modification with click chemistry reactivity.
Helium cluster ions: coherent charge sharing and the general trimerization trend
Authors: Van Dorn Laura , Sanov Andrei
Published: October 2024

The ionization of helium clusters leads to coherent charge sharing by at most three monomers. The trimerization trend is a universal feature of weakly-bonded covalent networks resulting from the competition between charge sharing and localization.
A deamination-driven biocatalytic cascade for the synthesis of ribose-1-phosphate
Authors: Motter Jonas , Westarp Sarah , Barsig Jonas , Betz Christina , Dagane Amin , Kaspar Felix , Neumair Lena , Kemper Sebastian , Neubauer Peter , Kurreck Anke
Published: October 2024

We present a sustainable biocatalytic process for the one-pot synthesis of Rib1P. By coupling a guanine deaminase to the nucleoside phosphorylase-catalysed Guo cleavage, the reaction was shifted towards almost complete Guo cleavage.
A Blautia producta specific gFET-based aptasensor for quantitative monitoring of microbiome quality
Authors: Xing Hu , Zhang Yiting , Li Runliu , Ruzicka Hans-Maximilian , Hain Christopher , Andersson Jakob , Bozdogan Anil , Henkel Marius , Knippschild Uwe , Hasler Roger , Kleber Christoph , Knoll Wolfgang , Kissmann Ann-Kathrin , Rosenau Frank
Published: October 2024

Typical configuration of an rGO-FET (left) with response to the device when there is no target (Blautia producta) applied (green) and when the target analyte is present (red) (right).
Portable near-infrared spectroscopy combined with machine learning algorithms for the origin identification and quality evaluation of Acanthopanax senticosus
Authors: Zhang Jianyu , Gao Yang , Zhou Guoming , Feng Jiahao , Sha Xin , Chen Jingchao , Ye Jianming , Li Wenlong
Published: October 2024

The aim of this study is to develop a comprehensive quality assessment method for Acanthopanax senticosus using near-infrared (NIR) spectroscopy combined with machine learning algorithms.
Functionalization of Zr@FMA with phosphonic acid groups for efficient separation of Th(iv) from aqueous solutions
Authors: Xiao Jing , Peng Linshan , Ouyang Ailan , Mo Xin , Yao Yiping , Wang Chunyan , Yan Chunpei
Published: October 2024

A phosphonate-functionalized Zr@FMA material was prepared as an adsorbent for efficient Th(iv) recovery from aqueous solutions. The adsorbent demonstrates a large surface area, enhanced adsorption capacity, and excellent selectivity for Th(iv).
Effect of UV-absorbing small molecule dyes with different alkyl chain densities and branching positions on the photovoltaic performance of semitransparent DSSCs
Authors: Liu Yongliang , Zhu Shengbo , Song Xiao , Li Wei , Yang Xiao , Niu Xiaoling , Zhou Hongwei , Zhang Wenzhi , Chen Weixing
Published: October 2024

To achieve dye-sensitized solar cells (DSSCs) with high transparency, multi-color capability, and long-term durability for future applications across various fields.
Ru-anchoring Co-MOF-derived porous Ru-Co3O4 nanomaterials for enhanced oxygen evolution activity and structural stability
Authors: Li Nan , Mao Lujiao , Fu Yuting , Wang Haoran , Shen Yuchang , Zhou Xuemei , Li Qipeng , Qian Jinjie
Published: October 2024

This study demonstrates a new approach for Ru-anchoring CoOF-1-derived porous Ru-Co3O4 nanomaterials with high activity and durability, showcasing great potential in the field of practical energy storage and conversion.
Fe-BPsalan complex catalyzed asymmetric vinylogous Mukaiyama–Michael reaction of silyloxyfuran and α,β-unsaturated acyl imidazoles with high enantioselectivity and diastereoselectivity
Authors: Li Gong-Xin , Zhou Yi-Ming , Xu Zhen-Jiang , Che Chi-Ming
Published: October 2024

Iron catalyzed asymmetric vinylogous Mukaiyama–Michael reaction of silyloxyfuran and α,β-unsaturated acyl imidazoles was developed to afford γ-butenolide derivatives in good yields (up to 98%) and excellent stereoselectivities (up to 99% ee).
Redox-neutral decarboxylative coupling of fluoroalkyl carboxylic acids via dual metal photoelectrocatalysis
Authors: Wu Yaxing , Wang Xiuling , Wang Zhenyu , Chen Chao
Published: October 2024

A photoelectrocatalytic method for the decarboxylative cross-coupling of α-CF3 carboxylic acids has been established. Key to our approach is the strategic integration of the LMCT-induced decarboxylative process with classical nickel catalysis.
Random field reconstruction of three-phase polymer structures with anisotropy from 2D-small-angle scattering data
Authors: Kronenberger Stephen , Gupta Nitant , Gould Benjamin , Peterson Colin , Jayaraman Arthi
Published: October 2024

We present a computational method to analyze 2D small-angle scattering data from three-phase soft materials systems with structural anisotropy and output representative real-space structures of the three phases.
The modulation acceptor of covalent organic frameworks: the optimization of intramolecular and interfacial charge transfer processes
Authors: Song Ziang , Xie Yujun , Song Xiaojuan , Tang Jianing , Wang Jinfeng , Tang Ben Zhong , Li Zhen
Published: October 2024

Three photoactive COFs containing different acceptors (BO, BT, and BSe) were designed and synthesized. The modulation of acceptors has optimized the intramolecular/interfacial charge transfer processes and improved the photocatalytic performance.
Identification of inhibitors of human ChaC1, a cytoplasmic glutathione degrading enzyme through high throughput screens in yeast
Authors: Suyal Shradha , Choudhury Chinmayee , Kaur Deepinder , Bachhawat Anand K.
Published: October 2024

The cytosolic glutathione-degrading enzyme, ChaC1, is highly up-regulated in several cancers, with the up-regulation correlating to poor prognosis. The ability to inhibit ChaC1 is therefore important in different pathophysiological situations, but is challenging owing to the high substrate Km of the enzyme. As no inhibitors of ChaC1 are known, in this study we have focussed on this goal. We have initially taken a computational approach where a systemic structure-based virtual screening was performed. However, none of the predicted hits proved to be effective inhibitors. Synthetic substrate analogs were also not inhibitory. As both these approaches targeted the active site, we shifted to developing two high-throughput, robust, yeast-based assays that were active site independent. A small molecule compound library was screened using an automated liquid handling system using these screens. The hits were further analyzed using in vitro assays. Among them, juglone, a naturally occurring naphthoquinone, completely inhibited ChaC1 activity with an IC50 of 8.7 µM. It was also effective against the ChaC2 enzyme. Kinetic studies indicated that the inhibition was not competitive with the substrate. Juglone is known to form adducts with glutathione and is also known to selectively inhibit enzymes by covalently binding to active site cysteine residues. However, juglone continued to inhibit a cysteine-free ChaC1 variant, indicating that it was acting through a novel mechanism. We evaluated different inhibitory mechanisms, and also analogues of juglone, and found plumbagin effective as an inhibitor. These compounds are the first inhibitor leads against the ChaC enzymes using a robust yeast screen.
Small clusters formation in supersonic jets: Theory and experiment
Authors: Gorbachev Yuriy , Bykov Nikolay , Dering Ekaterina
Published: October 2024

Computational and experimental study capabilities of clusterization in rarefied free argon jet are discussed. Several small cluster formation mechanisms and corresponding computational models are proposed. Simulation results for free jet flows with and without cluster formation are presented and computational and experimental results comparison possibility is discussed.
Flow in a channel with obstacles of different scales: A detached rib and a forward-facing step
Authors: Dyachenco Aleksey , Kulpanovich Gleb , Smulsky Yaroslav
Published: October 2024

A numerical study of the flow in a channel with a forward- facing step was carried out. A single disconnected rib 3 mm high served as a passive control element in the range of Reynolds numbers from 2700 to 16400. The rib was installed at a distance to the ledge from 1.6 to 0.8 calibers at a height of 0.2 to 1 caliber. The introduction of an edge transforms the flow in front of the step. A tear-off area is created behind the rib. In cases of a high-lying rib, the separation area behind the shoulder becomes larger than the unregulated case, which leads to a loss of total pressure and an increase in the hydraulic resistance of the channel. Thermal-hydraulic efficiency was assessed; installing the fin at a close distance from the wall showed the best result
Heat transfer in a channel with internal intensifiers during azeotropic mixture circulation
Authors: Zhukov Vladimir , Mezentseva Nadezhda
Published: October 2024

Today, the use of mixtures as refrigerants and coolants in various energy systems is widespread. The volatility coefficients for the components of a non-azeotropic binary mixture vary significantly. In an azeotropic binary mixture, the volatility coefficients for both components are the same. This paper presents the experimental results on the intensity of heat transfer to an azeotropic alcohol-water mixture during forced circulation in a round heated channel. Experiments are carried out both in a smooth channel and in a channel with a spiral intensifier. The inner diameter of the channel is D = 7.6 mm, the length is 2 m. The intensifier surface has a hydrophobic coating. The experiments are carried out at low (0.03 – 0.04 MPa) pressure in the system, in the range of mass velocities 36 < M < 376 kg/m2s and Reynolds numbers of 360 – 3700. The heat flux density in these experiments is 8000 W/m2. In the single-phase flow of an azeotropic alcohol-water mixture in the channel with a spiral intensifier, the heat transfer coefficient is up to 5–6 times higher than that in a smooth channel. In this case, the higher the mass flow velocity, the greater the excess of the heat transfer coefficient. In the two-phase flow of the mixture in the channel with a spiral intensifier, the heat transfer coefficient is up to 2–3 times higher than that in a smooth channel.
Spectral	method	for	identification	of	flow regimes in a Couette-Taylor annular flow
Authors: Miskiv Nikolay , Mamonov Valeriy , Nazarov Alexander , Serov Anatoliy , Terekhov Victor
Published: October 2024

The paper presents a study of flow structure in an annular flow of the Couette-Taylor system, employing spectral analysis of moment of resistance and radial dynamic pressure pulsations. Experiments were conducted on a model featuring a single annular gap, with the Reynolds number varied from 582 to 4271. A methodology for the digital recording of flow parameters was devised, comprising the measurement of the moment of resistance to rotation and radial pressure through the application of a strain gauge dynamometer, hydrophone and pressure transducer. The subsequent analysis of the obtained amplitude-frequency spectra enabled the identification of three distinctive ranges of pulsations, which were found to be associated with the relief of the cylinder surface, laminar flow with Taylor vortices and the turbulent regime.
Etching of a fluoropolymer coating synthesized by the hot wire chemical vapor deposition method in a low-frequency induction discharge plasma
Authors: Petrova Anna , Pinaev Vadim , Safonov Alexey , Khmel Sergey
Published: October 2024

The process of plasma etching for the formation of a biphilic pattern in a continuous homogeneous fluoropolymer coating on a copper substrate is studied. Argon or oxygen plasma of low frequency ferromagnetic amplified induction discharge is used to etch a fluoropolymer coating. Plasma etching was carried out through a mask with parallel slits. The etching rate in argon plasma was 10 nm/min, the etching rate in oxygen plasma was 60 nm/min. Biphilic surfaces were obtained, consisting of fluoropolymer strips on a copper surface. It has been shown that when using both argon plasma and oxygen plasma, it is possible to create biphilic surfaces by etching a continuous homogeneous fluoropolymer coating through a mask. Moreover, oxygen plasma is better suited for this because it has a higher etching rate and weakly changes the wettability of the surface.
Experimental study of ethanol-water solution droplet behavior under conditions of electric influence
Authors: Sendir Evgeniy , Miskiv Nikolay , Starinskaya Elena
Published: October 2024

The study of the interaction of a liquid with an electric field is an important fundamental task of hydrodynamics and electrophysics. Understanding the mechanisms of deformation and movement of droplets in an electric field is of great practical importance for the creation and optimization of various technological processes and devices - from cleaning and filtration systems to high-precision printers. In this paper, the basic principles of the effect of an electric field on a droplet of liquid, depending on the intensity, were investigated. As a result of the conducted research, an assumption has been made about the reason for the change in the trajectory of the droplet.
On	the	features	of	diffusion	combustion	of hydrogen microjets
Authors: Tambovtsev Alexander , Kozlov Victor , Litvinenko Yuriy , Pavlenko Alexander , Shmakov Andrey
Published: October 2024

This paper presents the results of an experimental investigation of the diffusion combustion scenario of a round hydrogen microjet flowing from a cylindrical thin-walled micronozzle with a diameter of 200 μm when ignited near and at any distance from the nozzle exit. A review of the literature on the research topic is presented and a comparison is performed in dimensionless parameters based on the Reynolds number. It has been established that stabilization of the torch during the expiration of a round microjet of hydrogen is associated with heating of the nozzle by the laminar region of the flame. A hysteresis of the process of diffusion combustion of round hydrogen microjets was discovered depending on the region of ignition of the microjet (laminar or turbulent region of the torch) and on changes in the jet velocity.
Counterflows	and	stagnation	of	meridional motion in a three-fluid vortex
Authors: Tintulova Maria , Naumov Igor , Sharifullin Bulat , Shtern Vladimir
Published: October 2024

In the course of the search for a flow pattern optimal for culture growth in vortex bioreactors, our experiments discovered striking flow structures that existing theoretical models cannot explain. Three immiscible liquids fill a vertical open cylindrical container whose sidewall is still while the bottom disk rotates driving a circulatory fluid motion. The centrifugal force pushes the lower liquid (L, aqueous glycerol) from the axis to the periphery near the bottom, creating its toroid circulation that in turn drives the middle liquid (M, sunflower oil) and the upper liquid (U, alcoholic glycerine). Under certain conditions with increasing rotation, counterflows develop near both interfaces LM and MU: the liquids move towards (away from) the axis below (above) the interface that seems paradoxical. At a small thickness of M, a stagnation zone arises where the axial and radial velocities vanish and the M liquid only rotates. As M thickness decreases, this stagnation zone expands and occupies the entire volume of the middle liquid. These counterintuitive results await their theoretical explanation and formulation of new contact conditions at the LM and MU interfaces.
Model of heat transfer in pipeline insulation in a chamber with a rotating heating pipe
Authors: Khusnutdinova Margarita , Haibullina Aigul , Sinyavin Alex , Hayrullin Aidar
Published: October 2024

This study numerically investigates the effect of rotation on the uniformity of temperature distribution in pipeline insulation, as well as the accuracy of measuring thermal conductivity for a pipe using the steady- state flux approach with non-uniform external heat transfer. It is shown that the use of rotation uniforms temperature fields and radial heat flux inside the insulation, allowing thermal conductivity tests to be accurate to 0.1%. The effect has been validated for a variety of insulating properties, including porous materials with high permeability.
Cooling of a structured high temperature surface with a dispersed flow
Authors: Shteling Valentin , Komov Alexander , Shcherbakov Petr , Zakharenkov Alexander , Sliva Andrey
Published: October 2024

The authors have conducted an investigation into the cooling of five distinct types of structured surfaces by means of a dispersed flow of distilled water. The modification of the heat transfer surface of the copper working section was conducted using a variety of methods, including mechanical processing and electron beam treatment at different parameters. Macrophotographs of the structured surface were obtained and their profiles were subsequently measured using a profilometer. Two series of experiments were conducted for each surface, with different coolant parameters. The excess pressure of the coolant at the nozzle inlet was in the range of 1.5 to 3.5 × 10⁵ Pa, the mass flow rate of the coolant (distilled water) was in the range of 4.0 to 6.1 × 10−3 kg/s, and the irrigation density varied within the range of 4.2 to 6.2 kg/(m2·s). The relationships between heat flux and heat transfer coefficient were compared for both modified and unmodified surfaces. The calculated thermophysical quantities were also represented graphically.
Study of active and passive methods to control flow, heat and mass transfer in jets
Authors: Yakovenko Sergey N. , Vankova Olga S.
Published: October 2024

The numerical experiment results for three cases with active and passive methods to control jet flows are presented. In problem 1, transverse vibrations of the inlet boundary and longitudinal oscillations of the inlet velocity are applied to obtain the flow splitting and to enhance mixing. In problem 2, perturbations at the lateral boundaries are introduced for the same purpose. In problem 3, a grid is introduced at the entrance into the impinging jet to enhance heat transfer on the heated wall with which the jet collides. The obtained effects are discussed in comparison with the measurement data, and prospects for further research are indicated.
Suture Bridge Fixation in Treating Traumatic Femoral Osteochondral Injuries in Adults: A Case Study and Review of the Literature
Authors: Zhang Quan , Wang Qi , Cao Zhengang
Published: October 2024

Achieving anatomic reduction, securing fixation, and ensuring adequate compression are crucial steps in the internal fixation process for traumatic osteochondral defects. A variety of fixation methodologies have been in use, e.g., metal pins, bioabsorbable screws, and glue tissue adhesives, each of them yielding different outcomes. This study presents the outcomes of utilising the concept of suture bridge fixation for traumatic femoral osteochondral injury in a 34-year-old patient. Following a three-year follow-up, the patient demonstrated a return to normal activities with complete and pain-free knee mobility. In conclusion, it can be stated that suture bridges offer an alternative approach for the fixation of osteochondral fragments in the knee attributable to traumatic injuries.
An Improved Synthesis of 2,3-Diamino-5,6-dichloropyrazine: A Useful Heterocyclic Scaffold
Authors: Rigby Jake M. , Chantry Andrew , Hemmings Andrew M. , Richards Christopher J. , Stephenson G. Richard , Storr Thomas E.
Published: October 2024

2,3-Diamino-5,6-dichloropyrazine represents a valuable but underexplored heterocyclic building block. Due to the use of harsh conditions and lack of selectivity surrounding the known literature synthesis, we developed a more accessible and selective three-step route from 2-aminopyrazine. Challenging conditions are avoided by using a high-yielding dichlorination with N-chlorosuccinimide (NCS), which is followed by a regioselective amination. The installation of the last chlorine atom using 1-chloro-1,2-benziodoxol-3(1H)-one is rapid, enabling access to 2,3-diamino-5,6-dichloropyrazine in an improved overall yield (41%).
Positron annihilation spectroscopy guided by two-component density functional theory calculations distinguishes irradiation-induced vacancy type in 4H-SiC
Authors: Li Jian , Sun Jianrong , Tian Yinan , Zhang Wei , Chang Hailong , Gao Pengcheng
Published: October 2024

Based on two-component density functional theory integrated with the projector augmented-wave basis and incorporating both calculated and experimental data from Positron Annihilation Spectroscopy (PAS), this study introduces a novel method for identifying and analyzing specific types of vacancies when multiple types of vacancies are coexisting. This method was then tested on 4H-SiC irradiated by 300 keV C4+ ion beams. By calculating charge density to analyze positron annihilation lifetime spectroscopy and calculating wave functions to analyze slow positron-beam Doppler broadening spectroscopy, for the first time, silicon monovacancies (VSi) and carbon monovacancies (VC) in irradiated 4H-SiC were quantitatively detected separately, allowing them to be distinguished with high accuracy. In addition, a decreasing trend in the relative percentage of VC with increasing irradiation dose, consistent with that expected when irradiating with carbon ions, was also observed, illustrating both the effectiveness and potential of this method for broader applications in material defect analysis. This study not only addresses the challenges of identifying multiple coexisting vacancy types using PAS but also extends the applicability and depth of PAS in fields such as nuclear energy, aerospace, and semiconductors.
Intramolecular benzene excimer formation in 13,14-diphenyldibenzo[b,j][4,7]phenanthroline
Authors: Lin Jiafen , Ma Lin , Zhao Yilun , Long Saran , Li Tianjiao , Ghosh Animesh , Grimsdale Andrew C. , Peng Xiaojun , Sun Licheng , Gurzadyan Gagik G.
Published: October 2024

13,14-diphenyldibenzo[b,j][4,7]phenanthroline (DBP3) in various solvents was studied by time-resolved fluorescence and fs transient absorption (fs-TA) spectroscopy. An intramolecular benzene excimer is demonstrated to form within DBP3; it exhibits strong redshifted emission with maximum at 540–640 nm. “Intrinsic” fluorescence from DBP3 is dramatically quenched down to τ = 50–400 fs in all the solvents studied. Fs-TA and time-resolved fluorescence spectra have proved that relaxed intramolecular benzene excimer is formed from S1 state via hot excimer state with three lifetime components: 50 fs, ∼3.5 ps, and ∼25 ps, which are of the inertial (electronic) and diffusive parts of the relaxation due to solute–solvent interaction. Formation of triplet states via intersystem crossing was observed directly from the upper excited electronic states of DBP3.
Experimental characterization of the flow and turbulence generated by fractal oscillating grids
Authors: Musy Valentin , Hantson Anne-Lise , Thomas Diane , Baudez Jean-Christophe , Lacassagne Tom
Published: October 2024

Inspired from the existing literature on fractal grids in channels and as an extension to classical oscillating grid experiments with simple Cartesian grids, an original investigation of fractal oscillating grid turbulence is here reported. The flows generated by a simple Cartesian grid, a fractal Cartesian grid, a fractal square grid, and a fractal I-shaped grid are studied using particle image velocimetry. Three oscillation frequencies (0.5, 1, and 1.5 Hz) and three stroke amplitudes (0.02, 0.035, and 0.05 m) are considered. The flows are broken down into mean (time averaged), oscillatory (phase dependent), and turbulent contributions using the triple Reynolds decomposition. The oscillation frequency is found to linearly impact the intensity of the mean and the oscillatory flows and the root mean square values of the turbulent fluctuations. In turn, an increase in the stroke amplitude tends to change the topology of the mean and the oscillatory flows. The turbulence intensity is increased by the fractal nature of the grids and is impacted by the mean flow topology, especially for the fractal I-shaped grid for which turbulence is transported away from the grid wake region. The study of the turbulence length scales and spectra reveals that the scales of turbulence mainly depend on the stroke amplitude and the grid geometry. We thus show how fractal oscillating grids can be used to generate turbulence with tailored properties for fundamental studies and practical applications.
Toward a resource-optimized dynamic quantum algorithm via non-iterative auxiliary subspace corrections
Authors: Patra Chayan , Mukherjee Debaarjun , Halder Sonaldeep , Mondal Dibyendu , Maitra Rahul
Published: October 2024

Recent quantum algorithms pertaining to electronic structure theory primarily focus on the threshold-based dynamic construction of ansatz by selectively including important many-body operators. These methods can be made systematically more accurate by tuning the threshold to include a greater number of operators into the ansatz. However, such improvements come at the cost of rapid proliferation of the circuit depth, especially for highly correlated molecular systems. In this work, we address this issue by the development of a novel theoretical framework that relies on the segregation of an ansatz into a dynamically selected core “principal” component, which is, by construction, adiabatically decoupled from the remaining operators. This enables us to perform computations involving the principal component using extremely shallow-depth circuits, whereas the effect of the remaining “auxiliary” component is folded into the energy function via a cost-efficient non-iterative correction, ensuring the requisite accuracy. We propose a formalism that analytically predicts the auxiliary parameters from the principal ones, followed by a suite of non-iterative auxiliary subspace correction techniques with different levels of sophistication. The auxiliary subspace corrections incur no additional quantum resources yet complement an inadequately expressive core of the ansatz to recover a significant amount of electronic correlations. We have numerically validated the resource efficiency and accuracy of our formalism with a number of strongly correlated molecular systems.