bluuebunny/crossref_metadata_2025_split huggingface dataset:
Quasi‐Universal Length Scale of River Anabranches
Authors: Ragno Niccolò , Redolfi Marco , Tubino Marco 
Published: August 2022

AbstractLooping patterns, where channels divide and reconnect further downstream, are widespread in natural rivers. Here, we build an extensive dataset of different gravel‐bed and sand‐bed rivers around the world encompassing a wide range of physiographic and sedimentological conditions. Field data show the existence of quasi‐universal relations for the anabranches length when scaled with bankfull hydraulic geometry variables of the main upstream channel. The dimensionless length is found to be nearly slope‐invariant, identifying a clear difference with respect to deltaic systems. This scaling relationship is explained by interpreting the dynamics of river loops as basically controlled by a two‐way interaction between their constitutive elements, bifurcations and confluences. The identification of a quasi‐universal length scale provides insight on the morphological evolution of multi‐thread networks and constitutes a key information for the design of self‐sustaining river restoration interventions.
The unique role of innate lymphoid cells in cancer and the hepatic microenvironment
Authors: Curio Sophie , Belz Gabrielle T. 
Published: August 2022

AbstractCancer is a complex disease, and despite incredible progress over the last decade, it remains the leading cause of death worldwide. Liver cancers, including hepatocellular carcinoma (HCC), and liver metastases are distinct from other cancers in that they typically emerge as a consequence of long-term low-grade inflammation. Understanding the mechanisms that underpin inflammation-driven tissue remodeling of the hepatic immune environment is likely to provide new insights into much needed treatments for this devastating disease. Group 1 innate lymphoid cells (ILCs), which include natural killer (NK) cells and ILC1s, are particularly enriched in the liver and thought to contribute to the pathogenesis of a number of liver diseases, including cancer. NK cells are an attractive, but underexplored, therapeutic target in hepatic disease due to their role in immunosurveillance and their ability to recognize and eliminate malignant cells. ILC1s are closely related to and share many phenotypic features with NK cells but are less well studied. Thus, their utility in immunotherapeutic approaches is not yet well understood. Here, we review our current understanding of ILCs in cancer with a particular focus on liver and liver-related diseases.
Protection of COVID-19 vaccination and previous infection against Omicron BA.1, BA.2 and Delta SARS-CoV-2 infections
Authors: Andeweg Stijn P. , de Gier Brechje , Eggink Dirk , van den Ende Caroline , van Maarseveen Noortje , Ali Lubna , Vlaemynck Boris , Schepers Raf , Hahné Susan J. M. , Reusken Chantal B. E. M. , de Melker Hester E. , van den Hof Susan , Knol Mirjam J. 
Published: August 2022

AbstractGiven the emergence of the SARS-CoV-2 Omicron BA.1 and BA.2 variants and the roll-out of booster COVID-19 vaccination, evidence is needed on protection conferred by primary vaccination, booster vaccination and previous SARS-CoV-2 infection by variant. We employed a test-negative design on S-gene target failure data from community PCR testing in the Netherlands from 22 November 2021 to 31 March 2022 (n = 671,763). Previous infection, primary vaccination or both protected well against Delta infection. Protection against Omicron BA.1 infection was much lower compared to Delta. Protection was similar against Omicron BA.1 compared to BA.2 infection after previous infection, primary and booster vaccination. Higher protection was observed against all variants in individuals with both vaccination and previous infection compared with either one. Protection against all variants decreased over time since last vaccination or infection. We found that primary vaccination with current COVID-19 vaccines and previous SARS-CoV-2 infections offered low protection against Omicron BA.1 and BA.2 infection. Booster vaccination considerably increased protection against Omicron infection, but decreased rapidly after vaccination.
Molecular engineering of dihydroxyanthraquinone-based electrolytes for high-capacity aqueous organic redox flow batteries
Authors: Huang Shiqiang , Zhang Hang , Salla Manohar , Zhuang Jiahao , Zhi Yongfeng , Wang Xun , Wang Qing 
Published: August 2022

AbstractAqueous organic redox flow batteries (AORFBs) are a promising technology for large-scale electricity energy storage to realize efficient utilization of intermittent renewable energy. In particular, organic molecules are a class of metal-free compounds that consist of earth-abundant elements with good synthetic tunability, electrochemical reversibility and reaction rates. However, the short cycle lifetime and low capacity of AORFBs act as stumbling blocks for their practical deployment. To circumvent these issues, here, we report molecular engineered dihydroxyanthraquinone (DHAQ)-based alkaline electrolytes. Via computational studies and operando measurements, we initially demonstrate the presence of a hydrogen bond-mediated degradation mechanism of DHAQ molecules during electrochemical reactions. Afterwards, we apply a molecular engineering strategy based on redox-active polymers to develop capacity-boosting composite electrolytes. Indeed, by coupling a 1,5-DHAQ/poly(anthraquinonyl sulfide)/carbon black anolyte and a [Fe(CN)6]3−/4− alkaline catholyte, we report an AORFB capable of delivering a stable cell discharge capacity of about 573 mAh at 20 mA/cm2 after 1100 h of cycling and an average cell discharge voltage of about 0.89 V at the same current density.
Conformational enantiodiscrimination for asymmetric construction of atropisomers
Authors: Cen Shouyi , Huang Nini , Lian Dongsheng , Shen Ahui , Zhao Mei-Xin , Zhang Zhipeng 
Published: August 2022

AbstractMolecular conformations induced by the rotation about single bonds play a crucial role in chemical transformations. Revealing the relationship between the conformations of chiral catalysts and the enantiodiscrimination is a formidable challenge due to the great difficulty in isolating the conformers. Herein, we report a chiral catalytic system composed of an achiral catalytically active unit and an axially chiral 1,1′-bi-2-naphthol (BINOL) unit which are connected via a C–O single bond. The two conformers of the catalyst induced by the rotation about the C–O bond, are determined via single-crystal X-ray diffraction and found to respectively lead to the formation of highly important axially chiral 1,1′-binaphthyl-2,2′-diamine (BINAM) and 2-amino-2′-hydroxy-1,1′-binaphthyl (NOBIN) derivatives in high yields (up to 98%), with excellent enantioselectivities (up to 98:2 e.r.) and opposite absolute configurations. The results highlight the importance of conformational dynamics of chiral catalysts in asymmetric catalysis.
Structural basis for receptor selectivity and inverse agonism in S1P5 receptors
Authors: Lyapina Elizaveta , Marin Egor , Gusach Anastasiia , Orekhov Philipp , Gerasimov Andrey , Luginina Aleksandra , Vakhrameev Daniil , Ergasheva Margarita , Kovaleva Margarita , Khusainov Georgii , Khorn Polina , Shevtsov Mikhail , Kovalev Kirill , Bukhdruker Sergey , Okhrimenko Ivan , Popov Petr , Hu Hao , Weierstall Uwe , Liu Wei , Cho Yunje , Gushchin Ivan , Rogachev Andrey , Bourenkov Gleb , Park Sehan , Park Gisu , Hyun Hyo Jung , Park Jaehyun , Gordeliy Valentin , Borshchevskiy Valentin , Mishin Alexey , Cherezov Vadim 
Published: August 2022

AbstractThe bioactive lysophospholipid sphingosine-1-phosphate (S1P) acts via five different subtypes of S1P receptors (S1PRs) - S1P1-5. S1P5 is predominantly expressed in nervous and immune systems, regulating the egress of natural killer cells from lymph nodes and playing a role in immune and neurodegenerative disorders, as well as carcinogenesis. Several S1PR therapeutic drugs have been developed to treat these diseases; however, they lack receptor subtype selectivity, which leads to side effects. In this article, we describe a 2.2 Å resolution room temperature crystal structure of the human S1P5 receptor in complex with a selective inverse agonist determined by serial femtosecond crystallography (SFX) at the Pohang Accelerator Laboratory X-Ray Free Electron Laser (PAL-XFEL) and analyze its structure-activity relationship data. The structure demonstrates a unique ligand-binding mode, involving an allosteric sub-pocket, which clarifies the receptor subtype selectivity and provides a template for structure-based drug design. Together with previously published S1PR structures in complex with antagonists and agonists, our structure with S1P5-inverse agonist sheds light on the activation mechanism and reveals structural determinants of the inverse agonism in the S1PR family.
[3+2] Cycloaddition of alkyl aldehydes and alkynes enabled by photoinduced hydrogen atom transfer
Authors: Le Siya , Li Ji , Feng Jian , Zhang Zuxiao , Bai Yihui , Yuan Zheliang , Zhu Gangguo 
Published: August 2022

Abstract[3+2] Cycloaddition is a step- and atom-economic method for the synthesis of five-membered rings. Despite the great success of 1,3-dipolar cycloadditions, the radical [3+2] annulation of alkynes remains a formidable challenge. Herein, a photoinduced decatungstate-catalyzed [3+2] cycloaddition of various internal alkynes using abundant aliphatic aldehydes as a three-carbon synthon is developed, producing elaborate cyclopentanones in 100% atom economy with excellent site-, regio-, and diastereoselectivity under mild conditions. The catalytic cycle consists of hydrogen atom abstraction from aldehydes, radical addition, 1,5-hydrogen atom transfer, anti-Baldwin 5-endo-trig cyclization, and back hydrogen abstraction. The power of this method is showcased by the late-stage elaboration of medicinally relevant molecules and total or formal synthesis of (±)-β-cuparenone, (±)-laurokamurene B, and (±)-cuparene.
Laboratory evaluation of sugar alcohols for control of mosquitoes and other medically important flies
Authors: Rochlin Ilia , White Gregory , Reissen Nadja , Swanson Dustin , Cohnstaedt Lee , Chura Madeleine , Healy Kristen , Faraji Ary 
Published: August 2022

AbstractInsecticide application for vector control is the most controversial component of a public health program due to concerns about environmental and human health safety. One approach to overcome this challenge is the use of environmentally benign active ingredients. Among the most promising emerging strategies are attractive toxic sugar baits. Sugar alcohols—naturally occurring molecules safe for human consumption but potentially toxic to insects when ingested, have received increased attention for use with this approach. For this study, we screened the toxicity of four different sugar alcohols on several mosquito species, a biting midge, and a filth fly. Sugar alcohol mortalities exceeded those in the sucrose (positive control) only group. However, only erythritol and highly concentrated xylitol induced mortalities exceeding those in the water only (negative control) treatment ranging from approximately 40–75%. Formulations containing erythritol and xylitol should be further investigated under field conditions for efficacy in reducing populations of biting flies and for assessing potential non-target impacts.
Identification of key interactions of benzimidazole resistance-associated amino acid mutations in Ascaris β-tubulins by molecular docking simulations
Authors: Jones Ben P. , van Vliet Arnoud H. M. , LaCourse E. James , Betson Martha 
Published: August 2022

AbstractAscarisspecies are soil-transmitted helminths that infect humans and livestock mainly in low and middle-income countries. Benzimidazole (BZ) class drugs have predominated for many years in the treatment ofAscarisinfections, but persistent use of BZs has already led to widespread resistance in other nematodes, and treatment failure is emerging forAscaris. Benzimidazoles act by binding to β-tubulin proteins and destabilising microtubules. Three mutations in the β-tubulin protein family are associated with BZ resistance. Seven shared β-tubulin isotypes were identified inAscaris lumbricoidesandA. suumgenomes. Benzimidazoles were predicted to bind to all β-tubulin isotypes using in silico docking, demonstrating that the selectivity of BZs to interact with one or two β-tubulin isotypes is likely the result of isotype expression levels affecting the frequency of interaction.Ascarisβ-tubulin isotype A clusters with helminth β-tubulins previously shown to interact with BZ. Molecular dynamics simulations using β-tubulin isotype A highlighted the key role of amino acid E198 in BZ-β-tubulin interactions. Simulations indicated that mutations at amino acids E198A and F200Y alter binding of BZ, whereas there was no obvious effect of the F167Y mutation. In conclusion, the key interactions vital for BZ binding with β-tubulins have been identified and show how mutations can lead to resistance in nematodes.
Probabilistic analysis of water-sealed performance in underground oil storage considering spatial variability of hydraulic conductivity
Authors: Zhang Huijie , Zhang Bin , Li Yajun , Wang Lei , Li Yutao , Shi Lei , Wang Hanxun 
Published: August 2022

AbstractFor underground water-sealed oil storage, the spatial variability of the surrounding rock has a significant impact on the water-sealed effect of a water curtain system. This study presents a methodology for the probabilistic analysis of water curtain performance in underground oil storage, considering the spatial variability of hydraulic conductivity of the surrounding rock based on field data. Anisotropic random fields representing the spatial variability of hydraulic conductivity were established through spatial statistical analysis of field data and introduced into the finite element model of underground oil storage for water-sealed reliability analysis. The water-sealed performance of different water curtain system schemes was studied using Monte Carlo simulation (MCS). The results showed that the difference between the horizontal spatial correlation and the vertical spatial correlation of the surrounding rock has a significant impact on the water-sealed effect of the water curtain system. An excessively large pressure of water curtain boreholes provided a small contribution to improving water curtain performance. The distance between the water curtain holes and the caverns had the less significant affecting the water-sealed reliability of the storage cavern. Finally, the optimal design of the water curtain system is discussed. This study provides valuable insights and a theoretical basis for the optimisation of water curtain system design parameters for underground water-sealed oil storage.
Osmotically assisted reverse osmosis, simulated to achieve high solute concentrations, at low energy consumption
Authors: H. M. Beigi Behzad , Gadkari Siddharth , Sadhukhan Jhuma 
Published: August 2022

AbstractMicrobial electrosynthesis (MES), is an emerging technology, for sustainable wastewater treatment. The dilute acetate solution, produced via MES, must be recovered, as dilute solutions can be expensive to store and transport. The acetate is expensive and environmentally damaging to recover by heat-intensive evaporative methods, such as distillation. In pursuit of a better energy economy, a membrane separation system is simulated to raise the concentration from 1 to 30 wt%, at a hydraulic pressure of approximately 50 bar. The concentrate is then simulated to be heat dried. Reverse osmosis (RO) could rase the acetate concentration to 8 wt%. A novel adaptation of osmotically assisted reverse osmosis (OARO) is then simulated to increase the concentration from 8 to 30 wt%. The inclusion of OARO, rather than a standalone RO unit, reduces the total heat and electric power requirement by a factor of 4.3. It adds to the membrane area requirement by a factor of 6. The OARO simulations are conducted by the internal concentration polarisation (ICP) model. Before the model is used, it is fitted to OARO experimental data, obtained from the literature. Membrane structure number of 701 µm and permeability coefficient of 2.51 L/m2/h/bar are ascertained from this model fitting exercise.
Oral sorafenib-loaded microemulsion for breast cancer: evidences from the in-vitro evaluations and pharmacokinetic studies
Authors: Chaurawal Nishtha , Misra Charu , Abul Barkat Harshita , Jatyan Reena , Chitkara Deepak , Barkat Md. Abul , Sharma Teenu , Singh Bhupinder , Raza Kaisar 
Published: August 2022

AbstractSorafenib tosylate (SFB) is a multikinase inhibitor that inhibits tumour growth and proliferation for the management of breast cancer but is also associated with issues like toxicity and drug resistance. Also, being a biopharmaceutical class II (BCS II) drug, its oral bioavailability is the other challenge. Henceforth, this report intended to encapsulate SFB into a biocompatible carrier with biodegradable components, i.e., phospholipid. The microemulsion of the SFB was prepared and characterized for the surface charge, morphology, micromeritics and drug release studies. The cell viability assay was performed on 4T1 cell lines and inferred that the IC50 value of sorafenib-loaded microemulsion (SFB-loaded ME) was enhanced compared to the naïve SFB at the concentrations of about 0.75 µM. More drug was available for the pharmacological response, as the protein binding was notably decreased, and the drug from the developed carriers was released in a controlled manner. Furthermore, the pharmacokinetic studies established that the developed nanocarrier was suitable for the oral administration of a drug by substantially enhancing the bioavailability of the drug to that of the free SFB. The results bring forth the preliminary evidence for the future scope of SFB as a successful therapeutic entity in its nano-form for effective and safer cancer chemotherapy via the oral route.
BDNF, proBDNF and IGF-1 serum levels in naïve and medicated subjects with autism
Authors: Robinson-Agramonte Maria de los Angeles , Michalski Bernadeta , Vidal-Martinez Belkis , Hernández Leyanis Ramos , Santiesteban Mabel Whilby , Fahnestock Margaret 
Published: August 2022

AbstractBrain-derived neurotrophic factor (BDNF) and insulin-like growth factor 1 (IGF-1) promote the development and maintenance of neural circuits. Alterations in these factors might contribute to autism spectrum disorder (ASD). We asked whether serum BDNF, proBDNF, and IGF-1 levels are altered in an ASD population compared to controls. We measured serum BDNF, proBDNF, and IGF-1 immunoreactive protein in boys and girls aged 5–15 years old with mild to moderate ASD and non-autistic controls by ELISA. IGF-1 was increased in ASD serum compared to controls and was correlated with age and with CARS scores. Serum BDNF levels did not differ between groups, however, proBDNF serum levels were decreased in subjects with ASD compared to non-autistic controls. Medicated, but not unmedicated, ASD subjects exhibited lower serum proBDNF levels compared to controls, while neither IGF-1 nor BDNF levels differed between treatment groups. These data support the involvement of proBDNF and IGF-1 in the pathogenesis and treatment of autism.
Risk assessment of interstate pipelines using a fuzzy-clustering approach
Authors: Osman A. , Shehadeh M. 
Published: August 2022

AbstractInterstate pipelines are the most efficient and feasible mean of transport for crude oil and gas within boarders. Assessing the risks of these pipelines is challenging despite the evolution of computational fuzzy inference systems (FIS). The computational intricacy increases with the dimensions of the system variables especially in the typical Takagi–Sugeno (T–S) fuzzy-model. Typically, the number of rules rises exponentially as the number of system variables increases and hence, it is unfeasible to specify the rules entirely for pipeline risk assessments. This work proposes the significance of indexing pipeline risk assessment approach that is integrated with subtractive clustering fuzzy logic to address the uncertainty of the real-world circumstances. Hypothetical data is used to setup the subtractive clustering fuzzy-model using the fundamental rules and scores of the pipeline risk assessment indexing method. An interstate crude-oil pipeline in Egypt is used as a case study to demonstrate the proposed approach.
Effects of decadal climate variability on spatiotemporal distribution of Indo-Pacific yellowfin tuna population
Authors: Wu Yan-Lun , Lan Kuo-Wei , Evans Karen , Chang Yi-Jay , Chan Jui-Wen 
Published: August 2022

AbstractSpatial variations in tuna population and abundance are strongly linked to large-scale climate fluctuations, such as the Pacific decadal oscillation (PDO) and Atlantic multidecadal oscillation (AMO). However, the mechanisms underlying the association of climate indices with yellowfin tuna (YFT) abundance and habitat preference remain unclear. We analysed long-term longline fishery data for YFT and oceanic climate variability index data for 1971–2018. The standardized catch per unit effort (CPUE) of Indo-Pacific Ocean YFT was higher during negative AMO and positive PDO phases. In tropical Pacific Ocean, the trend of YFT habitat preference exhibited seesaw patterns because of the distinct environmental factors influenced by the PDO phase. The PDO changed the environmental parameters throughout the tropical Indian Ocean such that the habitat preference of YFT remained consistent throughout. However, the variations in habitat suitability did not correspond to the distribution or standardized CPUE of YFT throughout the Pacific Ocean during AMO events. Moreover, the changes in habitat suitability had a positive periodicity of 8–16 years with AMO in the Indian Ocean, but revealed opposite trends with the distribution or standardized CPUE of YFT. Our results provide sufficient information to distinguish the variations between PDO phase changing and YFT standardized CPUE/ habitat preference. Furthermore, the AMO phase shift period 60–100 years longer than that of the PDO (20–30 years), and models employing time series of fishery and environmental data must be extended the time period of our study to make the AMO match the fishery data more complete.