bluuebunny/crossref_metadata_2025_split huggingface dataset:
New Indole Diketopiperazine Alkaloids from Soft Coral‐Associated Epiphytic Fungus Aspergillus versicolor CGF 9‐1‐2
Authors: Hu Jin‐Shan , He Yu‐Pei , Zhou Feng‐Guo , Wu Ping‐Ping , Chen Le‐Yi , Ni Cheng , Zhang Ze‐Kun , Xiao Xi‐Ji , An Lin‐Kun , He Xi‐Xin , Zhang Cui‐Xian 
Published: April 2023

AbstractTwo new indole diketopiperazine alkaloids (IDAs), (+)19‐epi‐sclerotiamide (1) and (−)19‐epi‐sclerotiamide (2), along with 13 known analogs (3–15), were isolated from a soft coral‐associated epiphytic fungus Aspergillus versicolor CGF 9‐1‐2. The structures of two new compounds were established based on the combination of HR‐ESI‐MS, 1D and 2D NMR spectroscopy, optical rotation measurements and quantum chemical 13C‐NMR, the absolute configurations were determined by experimental and electronic circular dichroism (ECD) calculations. The results of molecular docking showed that all the compounds had a good binding with TDP1, TDP2, TOP1, TOP2, Ache, NLRP3, EGFR, EGFR L858R, EGFR T790M and EGFR T790/L858. Biological evaluation of compounds 3, 6, 8, 11 showed that 3 exerted a strong inhibitory effect on TDP2 with a rate of 81.72 %.
Prevalence of familial hypercholesterolemia and its association with coronary artery disease: A Chinese cohort study
Authors: Aihaiti Xiapikatijiang , Chen Shufeng , Li Jianxin , Lin Zhennan , Cui Qingmei , Xia Xue , Liu Fangchao , Shen Chong , Hu Dongsheng , Huang Keyong , Zhao Yingxin , Lu Fanghong , Liu Xiaoqing , Cao Jie , Yu Ling , Li Ying , Zhang Huan , Fu Zhenyan , Zhao Liancheng , Huang Jianfeng , Gu Dongfeng , Lu Xiangfeng 
Published: April 2023

AbstractBackgroundFamilial hypercholesterolemia (FH) is underrecognized, and its association with coronary artery disease (CAD) remains limited, especially in China. We aimed to investigate the prevalence of FH and its relationship with CAD in a large Chinese cohort.MethodsFH was defined using the Make Early Diagnosis to Prevent Early Death (MEDPED) criteria. The crude and age‐sex standardized prevalence of FH were calculated based on surveys of the Prediction for Atherosclerotic Cardiovascular Disease Risk in China (China‐PAR) project during 2007−2008. The associations of FH with incident CAD and its major subtypes were estimated with the cohort‐stratified multivariate Cox proportional hazard models based on the data from the baseline to the last follow‐up (2018−2020).ResultsAmong 98,885 included participants, 190 participants were defined as FH. Crude and age−sex standardized prevalence and 95% confidence interval (CI) of FH were 0.19% (0.17%–0.22%) and 0.13% (0.10%–0.16%), respectively. The prevalence varied across age groups and peaked in the group of 60–<70 years (0.28%), and the peak prevalence (0.18%) in males was earlier, yet lower than the peak crude prevalence in females (0.41%). During a mean follow‐up of 10.7 years, 2493 cases of incident CAD were identified. After multivariate adjustment, FH patients had a 2.03‐fold greater risk of developing CAD compared to non‐FH participants.ConclusionsThe prevalence of FH was estimated to be 0.19% in the participants, and it was associated with an elevated risk of incident CAD. Our study suggests that early screening of FH has certain public health significance for the prevention of CAD.
Flow rate impact on the performance of immobilized nanoFeCu for sewage treatment and its reusability
Authors: Chan Mieow Kee , Lim Kah Weng , Mohd Aris Alijah , Ho Yoke Ping , Khor Bee Chin 
Published: April 2023

AbstractAmmonia pollution is a global issue, and it endangers human and aquatic life. The role of nanoFeCu in oxidizing ammonia has been identified, but its practicality and performance on the pilot scale are still unclear. This study was conducted to investigate immobilized nanoFeCu's performance in terms of ammonia, nitrate, nitrite, biological oxygen demand (BOD), chemical oxygen demand (COD), and total suspended solid (TSS) by using sewage as feed. The effect of sewage flow rate was studied to determine the optimum operating condition of a pilot‐scale reactor. The reusability test was conducted to address sustainability concerns. The nanoFeCu was synthesized, immobilized in polymer clay, and placed into the reactor filled with sewage at a varied flow rate of from 210 to 1200 mL/min. Results showed that a higher sewage flow rate increased the ammonia removal rate within a shorter time but exhausted the immobilized nanoFeCu at a higher rate. Nitrate, nitrite, and TSS have a similar removal trend as ammonia. 800 mL/min was identified as the optimum flow rate with effluent ammonia concentration below 10 ppm in 9 h and maintained for 12 h. A reusability study showed that immobilized nanoFeCu could be reused for at least 10 successive cycles. The stability and performance of immobilized nanoFeCu suggested that it could be an alternative to treat sewage wastewater for real‐life applications.
Polycardanol's potential to deasphalt crude oil: Influence of polymer conversion degree, molar mass, and structure
Authors: Martins Maximiliano F. , Aversa Thiago M. , Lucas Elizabete F. 
Published: April 2023

AbstractCardanol is a natural material that acts to stabilize asphaltenes in crude oil. However, its derivative, polycardanol, obtained via cationic polymerization, has divergent behaviour, with reports of its acting both as asphaltenes stabilizer and flocculant. Recently, it was demonstrated that the reaction conditions influence the conversion rates, structures, and molar masses of the products from synthesizing polycardanol initiated with BF3 · O(C2H5)2. Seeking to elucidate the influence of these variables on the phase behaviour of asphaltenes, in this work six products, previously synthesized and characterized, had their performance evaluated by asphaltenes precipitation onset, using n‐heptane titration and monitoring by near‐infrared spectroscopy, using asphaltenes model systems (C5I and C7I) at 1.00 wt./vol.% in toluene. All the products had the ability to flocculate asphaltenes and have potential for deasphalting process. Flocculation efficiency increased with rising molar mass, higher reaction conversion degree, and presence of lateral hydrocarbon chains. The most efficient structures were not affected by the presence of unreacted cardanol. This indicated that the reaction does not require a purification step. Aged cardanol was also able to produce flocculant polymer, indicating that the distillation of cardanol is not required. The cost to obtain a product without needing reagent distillation becomes lower.
Plasma levels of interleukin‐6 mediate neurocognitive performance in older breast cancer survivors: The Thinking and Living With Cancer study
Authors: Mandelblatt Jeanne S. , Small Brent J. , Zhou Xingtao , Nakamura Zev M. , Cohen Harvey J. , Ahles Tim A. , Ahn Jaeil , Bethea Traci N. , Extermann Martine , Graham Deena , Isaacs Claudine , Jacobsen Paul B. , Jim Heather S. L. , McDonald Brenna C. , Patel Sunita K. , Rentscher Kelly E. , Root James C. , Saykin Andrew J. , Tometich Danielle B. , Van Dyk Kathleen , Zhai Wanting , Breen Elizabeth C. , Carroll Judith E. 
Published: April 2023

AbstractBackgroundImmune activation/inflammation markers (immune markers) were tested to explain differences in neurocognition among older breast cancer survivors versus noncancer controls.MethodsWomen >60 years old with primary breast cancer (stages 0–III) (n = 400) were assessed before systemic therapy with frequency‐matched controls (n = 329) and followed annually to 60 months; blood was collected during annual assessments from 2016 to 2020. Neurocognition was measured by tests of attention, processing speed, and executive function (APE). Plasma levels of interleukin‐6 (IL‐6), IL‐8, IL‐10, tumor necrosis factor α (TNF‐α), and interferon γ were determined using multiplex testing. Mixed linear models were used to compare results of immune marker levels by survivor/control group by time and by controlling for age, racial/ethnic group, cognitive reserve, and study site. Covariate‐adjusted multilevel mediation analyses tested whether survivor/control group effects on cognition were explained by immune markers; secondary analyses examined the impact of additional covariates (e.g., comorbidity and obesity) on mediation effects.ResultsParticipants were aged 60–90 years (mean, 67.7 years). Most survivors had stage I (60.9%) estrogen receptor–positive tumors (87.6%). Survivors had significantly higher IL‐6 levels than controls before systemic therapy and at 12, 24, and 60 months (p ≤ .001–.014) but there were no differences for other markers. Survivors had lower adjusted APE scores than controls (p < .05). Levels of IL‐6, IL‐10, and TNF‐α were related to APE, with IL‐6 explaining part of the relationship between survivor/control group and APE (p = .01). The magnitude of this mediation effect decreased but remained significant (p = .047) after the consideration of additional covariates.ConclusionsOlder breast cancer survivors had worse long‐term neurocognitive performance than controls, and this relationship was explained in part by elevated IL‐6.
Gene × gene and genotype × environment interactions in wheat
Authors: Raffo Miguel A. , Jensen Just 
Published: April 2023

AbstractAccelerating the rate of genetic gain of major crops is required to meet the projected global demand for food. Genomic selection (GS) has made valuable contributions to the genetic progress of different species and is currently a routine procedure in most wheat (Triticum aestivum L.) breeding programs (WBP). Accounting for gene × gene (G × G) and genotype × environment interactions (G × E) in GS can significantly enhance genetic improvement by increasing the rate of genetic gain and adaptation of wheat cultivars. However, a comprehensive and updated knowledge of G × G and G × E methodologies is required to define the appropriate breeding strategy. In this review, we start by briefly describing the current situation and relevance of wheat breeding, then we focus on the central concepts of G × G and G × E and discuss the implications, challenges, and opportunities for the implementation of interactions in GS and wheat breeding. This review is primarily intended to be a reference material for wheat breeders and researchers. Nevertheless, most of the concepts exposed are transferable to any other autogamous or clonal crops, and are therefore useful in a much broader scope. We expect to encourage and facilitate the implementation of GS models accounting for interactions in plant breeding.
Integrating single‐cell RNA sequencing with spatial transcriptomics reveals an immune landscape of human myometrium during labour
Authors: Ji Kaiyuan , Chen Lina , Wang Xiaodi , Wen Bolun , Yang Fan , Deng Wenfeng , Chen Yunshan , Zhang Guozheng , Liu Huishu 
Published: April 2023

AbstractBackgroundThe transition of the myometrium from a quiescent to a contractile state during labour is known to involve inflammation, which is characterized by the infiltration of immune cells and the secretion of cytokines. However, the specific cellular mechanisms underlying inflammation in the myometrium during human parturition are not yet fully understood.MethodsThrough the analysis of transcriptomics, proteomics, and cytokine arrays, the inflammation in the human myometrium during labour was revealed. By performing single‐cell RNA sequencing (scRNA‐seq) and spatiotemporal transcriptomic (ST) analyses on human myometrium in term in labour (TIL) and term in non‐labour (TNL), we established a comprehensive landscape of immune cells, their transcriptional characteristics, distribution, function and intercellular communications during labour. Histological staining, flow cytometry, and western blotting were applied to validate some results from scRNA‐seq and ST.ResultsOur analysis identified immune cell types, including monocytes, neutrophils, T cells, natural killer (NK) cells and B cells, present in the myometrium. TIL myometrium had a higher proportion of monocytes and neutrophils than TNL myometrium. Furthermore, the scRNA‐seq analysis showed an increase in M1 macrophages in TIL myometrium. CXCL8 expression was mainly observed in neutrophils and increased in TIL myometrium. CCL3 and CCL4 were principally expressed in M2 macrophages and neutrophils‐6, and decreased during labour; XCL1 and XCL2 were specifically expressed in NK cells, and decreased during labour. Analysis of cytokine receptor expression revealed an increase in IL1R2, which primarily expressed in neutrophils. Finally, we visualized the spatial proximity of representative cytokines, contraction‐associated genes, and corresponding receptors in ST to demonstrate their location within the myometrium.ConclusionsOur analysis comprehensively revealed changes in immune cells, cytokines, and cytokine receptors during labour. It provided a valuable resource to detect and characterize inflammatory changes, yielding insights into the immune mechanisms underlying labour.
3‐Fluoroalkyl (CF3, CHF2, CH2F) Cyclobutane‐Derived Building Blocks for Medicinal Chemistry: Synthesis and Physicochemical Properties
Authors: Demchuk Oleksandr P. , Bobovskyi Bohdan V. , Vashchenko Bohdan V. , Hryshchuk Oleksandr V. , Skreminskyi Artem , Chernykh Anton V. , Moskvina Viktoriia S. , Hordiyenko Olga V. , Volochnyuk Dmitriy M. , Grygorenko Oleksandr O. 
Published: April 2023

AbstractSynthesis and physicochemical characterization of all possible cis‐ and trans‐1,3‐disubstituted cyclobutane‐derived amines and carboxylic acids bearing mono‐, di‐ and trifluoromethyl groups at the C‐3 position is disclosed. Tetramethylammonium fluoride (TMAF)‐ or morpholinosulfur trifluoride (Morph‐DAST)‐mediated nucleophilic fluorination of appropriate cis‐ and trans‐diastereomeric substrates was used as the key step for the preparation of CH2F‐ and CHF2‐substituted derivatives. To obtain the corresponding cis‐ and trans‐isomeric CF3‐substituted derivatives, resolution of known 3‐(trifluoromethyl)cyclobutanecarboxylic acid (obtained as a mixture of diastereomers) was applied. The proposed procedures were suitable for the preparation of corresponding fluoroalkyl‐substituted cyclobutane‐derived amines and carboxylic acids on up to 50 g scale. All 12 building blocks obtained were characterized by measuring dissociation constants (pKa) and lipophilicities (LogP, for model derivatives) to evaluate the effect of the fluoroalkyl substituents on their physicochemical properties relevant to further drug discovery applications.
Alkyl‐Bridged Nitropyrazoles – Adjustment of Performance and Sensitivity Parameters
Authors: Reinhardt Elena , Thamm Simon , Stierstorfer Jörg , Klapötke Thomas M. 
Published: April 2023

AbstractStarting from 3,5‐dinitro‐4‐methylaminopyrazole (2), six different energetic salts and three new derivatives of methylene bridged nitropyrazoles were synthesized. The derivatives bear a methylamino (4), methylnitramino (5), and azido group (7). All compounds were intensively characterized using single crystal X‐ray diffraction, multinuclear NMR spectroscopy, IR spectroscopy, mass spectrometry, elemental analysis and DTA/TGA measurements. The sensitivities were determined according to BAM standard methods and the energetic properties calculated using the EXPLO5 code. The energetic salts were compared with each other and with ANTA in terms of their energetic properties. On the basis of the methyl‐ and ethyl bridged derivatives, it was shown how the introduction of methylamino (4) and methylnitramino (5) groups in an alkyl‐bridged nitropyrazole system modify its properties (performance & sensitivities). In addition, azido compound 7 was contrasted with its literature‐known constitutional isomer and investigated for its suitability as a potential metal‐free primary explosive.
Model‐coupled GRACE‐based analysis of hydrological dynamics of drying Lake Urmia and its basin
Authors: Khorrami Behnam , Ali Shoaib , Sahin Onur Gungor , Gunduz Orhan 
Published: April 2023

AbstractLake Urmia basin (LUB), in northwestern Iran, is under the influence of extreme degradation due to a number of natural and anthropogenic factors. The existence of the Lake is critical for the microclimate of the region as well as the quality of human life and wildlife, which necessitates an up‐to‐date and holistic analysis of its hydrological dynamics. In this premise, satellite‐based terrestrial water storage (TWS) received from the Gravity Recovery and Climate Experiment (GRACE) mission was coupled with hydrometeorological modelling and assessment tools to analyse the hydrological status of the lake and its basin. As a new gap‐filling approach, the Seasonal‐Trend decomposition using Locally estimated scatterplot smoothing (LOESS) (STL) decomposition technique was proposed in this study to reconstruct the missing TWS data. Integrating satellite precipitation data with the Catchment Land Surface Model (CLSM) and WaterGAP model outputs, the hydrological status of the lake was investigated. The STL‐based TWS turned out to concord well with the simulated TWS from the CLSM indicating the acceptable performance of the proposed technique. The findings revealed that the LUB had undergone an alarming hydrological situation from 2003 to 2021 with a total loss of and from its TWS and groundwater storage (GWS), respectively. The water level time series also indicated that the water level of the lake had diminished with an annual rate of corresponding to a total water level depletion of about during the 2003–2021 period. The GRACE‐derived TWS and GWS also agreed well with the CLSM simulations. Assessment of the extreme events of the LUB suggested that the basin suffered from a severe dry event in 2008 resulting in the depletion of its water storage and water level. It was also found that from 2003 onward, a critical hydrological setting had dominated the LUB with a negative hydrological balance of .
Prediction of vaginal birth after cesarean in China
Authors: Rao Jiaming , Fan Dazhi , Li Pengsheng , Li Yiying , Hu Pengzhen , Wu Zhaoxia , He Jieyun , Liu Xinjuan , Peng BingJie , Guo Xiaoling , Liu Zhengping 
Published: April 2023

AbstractObjectiveThis study aimed to develop and validate a prediction model of vaginal birth after cesarean delivery (VBAC) in China.MethodsA nomogram for effective prediction of VBAC of singleton, cephalic and one previous low‐transverse cesarean section deliveries was created by comparing the combinations of ultrasonographic and non‐ultrasonographic factors from five hospitals between 2018 and 2019.ResultsA total of 1066 women were included. Of the women who underwent trial of labor after cesarean (TOLAC), 854 (80.1%) had a VBAC. Ultrasound factors included reached a higher area under the curve (AUC) combined with non‐ultrasonographic factors. Of the three ultrasonographic factors analyzed, the best predictive factor for successful TOLAC was fetal abdominal circumference. A nomogram was generated with eight validated factors, including maternal age, gestational week, height, previous vaginal delivery, Bishop score, dilatation of the cervix at the time of admission, body mass index at delivery, and fetal abdominal circumference by ultrasound. The trained and validated AUC were 0.719 (95% confident interval 0.674–0.764) and 0.774 (95% confident interval 0.712–0.837), respectively.ConclusionOur VBAC nomogram based on obstetric factors and fetal abdominal circumference obtained by ultrasound could be used to counsel women who are considering TOLAC.
Quantitative microbiome profiling reveals the developmental trajectory of the chicken gut microbiota and its connection to host metabolism
Authors: Feng Yuqing , Zhang Meihong , Liu Yan , Yang Xinyue , Wei Fuxiao , Jin Xiaolu , Liu Dan , Guo Yuming , Hu Yongfei 
Published: April 2023

AbstractRevealing the assembly and succession of the chicken gut microbiota is critical for a better understanding of its role in chicken physiology and metabolism. However, few studies have examined dynamic changes of absolute chicken gut microbes using the quantitative microbiome profiling (QMP) method. Here, we revealed the developmental trajectory of the broiler chicken gut bacteriome and mycobiome by combining high‐throughput sequencing with a microbial load quantification assay. We showed that chicken gut microbiota abundance and diversity reached a plateau at 7 days posthatch (DPH), forming segment‐specific community types after 1 DPH. The bacteriome was more impacted by deterministic processes, and the mycobiome was more affected by stochastic processes. We also observed stage‐specific microbes in different gut segments, and three microbial occurrence patterns including “colonization,” “disappearance,” and “core” were defined. The microbial co‐occurrence networks were very different among gut segments, with more positive associations than negative associations. Furthermore, we provided links between the absolute changes in chicken gut microbiota and their serum metabolite variations. Time‐course untargeted metabolomics revealed six metabolite clusters with different changing patterns of abundance. The foregut microbiota had more connections with chicken serum metabolites, and the gut microbes were closely related to chicken lipid and amino acid metabolism. The present study provided a full landscape of chicken gut microbiota development in a quantitative manner, and the associations between gut microbes and chicken serum metabolites further highlight the impact of gut microbiota in chicken growth and development.
Analysis of cyantraniliprole residues in beetroot and beet top using LC‐MS/MS, dietary exposure assessment, and evaluation of decontamination techniques
Authors: Naveenprakash Paul Ganesan , Suganthi Angappan , Bhuvaneswari Kaithamalai , Kumar Manivasagam Senthil , Patil Santosh Ganpati , Karthik Palanisamy 
Published: April 2023

AbstractA modified quick, easy, cheap, effective, rugged, and safe (QuEChERS) method was standardized for the analysis of cyantraniliprole residues in beetroot and beet top (Beta vulgaris ssp. vulgaris L.) using liquid chromatography–mass spectrometry/mass spectrometry. Samples were extracted with acetonitrile and cleaned up by dispersive solid phase extraction. Acceptable recovery of 84.74%–104.24% for beetroot and 80.19%–118.55% for beet top matrix was achieved at fortification levels ranging from 0.02 to 0.025 μg g−1, with relative standard deviation <20% that signified the application of the method for detecting cyantraniliprole residues. A field experiment was conducted to determine the half‐life and preharvest interval for cyantraniliprole residues in beetroot and beet top. The half‐life obtained was 1.86–2.7 days for beetroot and 3.65–5.33 days for beet top. The preharvest interval calculated was 9.12–12.90 and 22.12–37.98 days for beetroot and top, respectively. The dietary exposure assessment at studied doses found cyantraniliprole residues below acceptable daily contact limits. Among different decontamination techniques evaluated, peeling + tap water washing resulted in a higher reduction of residues while cooking and juicing resulted in moderate removal of residues.