bluuebunny/crossref_metadata_2025_split huggingface dataset:
Variation in ripe fruit volatiles across the tomato clade: An evolutionary framework for studying fruit scent diversity in a crop wild relative
Authors: Barnett Jacob R. , Tieman Denise M. , Caicedo Ana L. 
Published: August 2023

AbstractPremiseThe scents of volatile organic compounds (VOCs) are an important component of ripe fleshy fruit attractiveness, yet their variation across closely related wild species is poorly understood. Phylogenetic patterns in these compounds and their biosynthetic pathways offer insight into the evolutionary drivers of fruit diversity, including whether scent can communicate an honest signal of nutrient content to animal dispersers. We assessed ripe fruit VOC content across the tomato clade (Solanum sect. Lycopersicon), with implications for crop improvement since these compounds are key components of tomato flavor.MethodsWe analyzed ripe fruit volatiles from 13 species of wild tomato grown in a common garden. Interspecific variations in 66 compounds and their biosynthetic pathways were assessed in 32 accessions, and an accession‐level phylogeny was constructed to account for relatedness.ResultsWild tomato species can be differentiated by their VOCs, with Solanum pennellii notably distinct. Phylogenetic conservatism exists to a limited extent. Major cladewide patterns corresponded to divergence of the five brightly colored‐fruited species from the nine green‐fruited species, particularly for nitrogen‐containing compounds (higher in colored‐fruited) and esters (higher in green‐fruited), the latter appearing to signal a sugar reward.ConclusionsWe established a framework for fruit scent evolution studies in a crop wild relative system, showing that each species in the tomato clade has a unique VOC profile. Differences between color groups align with fruit syndromes that could be driven by selection from frugivores. The evolution of colored fruits was accompanied by changes in biosynthetic pathways for esters and nitrogen‐containing compounds, volatiles important to tomato flavor.
Pregnancy‐related thromboembolism in women with sickle cell disease: An analysis of National Medicaid Data
Authors: Agarwal Shreya , Stanek Joseph R. , Vesely Sara K. , Creary Susan E. , Cronin Robert M. , Roe Andrea H. , O'Brien Sarah H. 
Published: August 2023

AbstractPregnancy and sickle cell disease (SCD) both individually carry a risk of thromboembolism (TE). Pregnancy in people with SCD may further enhance the prothrombotic effect of the underlying disease. The objectives of this study were to determine the rate and risk factors for arterial and venous thrombosis in pregnant people with SCD. Administrative claims data from the United States Centers for Medicare and Medicaid Service Analytic eXtract from 2006 to 2018 were used. The study population included people with SCD from the start of their first identified pregnancy until 1 year postpartum and a control cohort of pregnant people without SCD of similar age and race. Outcomes of interest were identified with ICD‐9 or 10 codes. Logistic regression analyses were used to analyze risk factors. We identified infant deliveries in 6388 unique people with SCD and 17 110 controls. A total of 720 venous thromboembolism (11.3%) and 335 arterial TE (5.2%) were observed in people with SCD compared to 202 (1.2%) and 95 (0.6%) in controls. People with SCD had an 8–11 times higher odds of TE compared to controls (p < .001). Within the SCD cohort, age, hemoglobin SS (HbSS) genotype, hypertension, and history of thrombosis were identified as independent risk factors for pregnancy‐related TE. Pregnancy‐specific factors (pre‐eclampsia, eclampsia, multigestational pregnancy) were not associated with TE. In conclusion, the risk of pregnancy‐related TE is considerably higher in people with SCD compared with controls without SCD. Hence, people with SCD, particularly those with multiple risk factors may be candidates for thromboprophylaxis during pregnancy and the postpartum period.
Migration and biological continuity in central Mexico during the Classic‐Epiclassic transition
Authors: Pacheco‐Fores Sofía I. , Stojanowski Christopher M. , Morehart Christopher T. 
Published: August 2023

AbstractObjectivesThe role of migration in the cultural development of central Mexico has long been debated. Archaeological models suggest that central Mexico likely experienced increased migration during the Epiclassic period (600–900 CE) and that migrants may have originated in northwestern Mexico. While previous biodistance analyses of Classic and Postclassic populations have come to similar conclusions, none have incorporated Epiclassic skeletal populations. This study uses multi‐scalar biodistance analyses to directly evaluate archaeological Epiclassic migration models within central Mexico.Materials and MethodsThis study uses finite mixture and relationship (R) matrix analyses of cervicometric tooth dimensions to reconstruct patterns of biological affinity among Classic and Epiclassic Mesoamerican populations (n = 333), including at the central Mexican Epiclassic shrine site of Non‐Grid 4 where the remains of at least 180 individuals were interred.ResultsEstimated inter‐site phenotypic distances demonstrate support for some degree of both biological continuity and extra‐local gene flow within central Mexican populations during the Classic‐Epiclassic transition. Furthermore, estimated phenotypic distances and finite mixture posterior probabilities indicate central Mexican Epiclassic populations were biologically diverse, originating from various source populations throughout Mesoamerica, including the Bajío region, the Malpaso Valley, and the Oaxaca Valley.DiscussionResults suggest that emphasizing both local and extra‐local gene flow rather than population replacement may be more appropriate to understand central Mexican population structure during the Classic‐Epiclassic transition. Moreover, analyses support previous archaeological migration models positing that Epiclassic migrants into central Mexico originated in northwestern Mexico, but also find evidence of Epiclassic migrants originating from previously unanticipated locales like southern Mexico.
Coordination Tuning of Metal Porphyrins for Improved Oxygen Evolution Reaction
Authors: Lv Haoyuan , Zhang Xue‐Peng , Guo Kai , Han Jinxiu , Guo Hongbo , Lei Haitao , Li Xialiang , Zhang Wei , Apfel Ulf‐Peter , Cao Rui 
Published: August 2023

AbstractThe nucleophilic attack of water or hydroxide on metal‐oxo units forms an O−O bond in the oxygen evolution reaction (OER). Coordination tuning to improve this attack is intriguing but has been rarely realized. We herein report on improved OER catalysis by metal porphyrin 1‐M (M=Co, Fe) with a coordinatively unsaturated metal ion. We designed and synthesized 1‐M by sterically blocking one porphyrin side with a tethered tetraazacyclododecane unit. With this protection, the metal‐oxo species generated in OER can maintain an unoccupied trans axial site. Importantly, 1‐M displays a higher OER activity in alkaline solutions than analogues lacking such an axial protection by decreasing up to 150‐mV overpotential to achieve 10 mA/cm2 current density. Theoretical studies suggest that with an unoccupied trans axial site, the metal‐oxo unit becomes more positively charged and thus is more favoured for the hydroxide nucleophilic attack as compared to metal‐oxo units bearing trans axial ligands.
The Power of Action Plots: Unveiling Reaction Selectivity of Light‐Stabilized Dynamic Covalent Chemistry
Authors: Gauci Steven C. , Du Prez Filip E. , Holloway Joshua O. , Houck Hannes A. , Barner‐Kowollik Christopher 
Published: August 2023

AbstractExploiting the optimum wavelength of reactivity for efficient photochemical reactions has been well‐established based on the development of photochemical action plots. We herein demonstrate the power of such action plots by a remarkable example of the wavelength‐resolved photochemistry of two triazolinedione (TAD) substrates, i.e., aliphatic and aromatic substituted, that exhibit near identical absorption spectra yet possess vastly disparate photoreactivity. We present our findings in carefully recorded action plots, from which reaction selectivity is identified. The profound difference in photoreactivity is exploited by designing a ‘hybrid’ bisfunctional TAD molecule, enabling the formation of a dual‐gated reaction manifold that demonstrates the exceptional and site‐selective (photo)chemical behavior of both TAD substrates within a single small molecule.
Link marine restoration to marine spatial planning through ecosystem‐based management to maximize ocean regeneration
Authors: Manea Elisabetta , Agardy Tundi , Bongiorni Lucia 
Published: August 2023

Abstract

The speed at which marine and coastal ecosystems are being degraded due to cumulative impacts limits the effectiveness of conservation strategies. To abate ocean degradation and allow ocean regeneration, conservation planning needs to be improved and ecological restoration will be needed.
This study explores the potential of incorporating restoration into marine spatial planning (MSP) anchored to ecosystem‐based management (EBM), termed EB‐MSP, for maximizing ocean regeneration. This perspective explicitly brings both passive and active restorations into EB‐MSP in a broad and holistic framework for achieving the recovery of ocean ecosystems, their functions and their valuable services.
By proposing a restoration‐focused EB‐MSP framework, we highlight the co‐benefits of interlinking MSP and marine restoration through the EBM core principles. Such benefits include a scaling‐up of restoration effectiveness, a greater guarantee that sustainability and conservation goals will be met and improvements in MSP as an integrated planning tool with the potential to address climate change. Together, this will promote ocean regeneration alongside management for sustainable use to prevent further degradation and to allow much‐needed ecological recovery.
The design, synthesis, biological evaluation, and molecular docking of new 5‐aminosalicylamide‐4‐thiazolinone hybrids as anticancer agents
Authors: Othman Shimaa A. , Abou‐Ghadir Ola F. , Ramadan Wafaa S. , Mostafa Yaser A. , El‐Awady Raafat , Abdu‐Allah Hajjaj H. M. 
Published: August 2023

AbstractNew 5‐aminosalicylamide‐4‐thiazolinone hybrids (27) were efficiently synthesized, characterized, and evaluated to explore their structure–activity relationship as anticancer agents. The antiproliferative activities of the new hybrids were evaluated against eight cancer cell lines using the sulforhodamine B assay. The most potent compound (24b) possessed high selectivity on the tested cell lines in the low micromolar range, with much lower effects on normal fibroblast cells (IC50 > 50 µM). The cell lines derived from leukemia (Jurkat), cervix (HeLa), and colon (HCT116) cancers appeared to be the most sensitive, with IC50 of 2 µM. 24b is the N‐ethylamide derivative with p‐dimethylaminobenzylidene at position 5 of the 4‐thiazolinone moiety. Other N‐substituents or arylidene derivatives showed lower activity. Hybrids with salicylamides showed lower activity than with methyl salicylate. The results clearly show that the modifications of the carboxy group and arylidene moiety greatly affect the activity. Investigating the possible molecular mechanisms of these hybrids revealed that they act through cell‐cycle arrest and induction of apoptosis and epidermal growth factor receptor (EGFR) inhibition. Molecular docking studies rationalize the molecular interactions of 24b with EGFR. This work expands our knowledge of the structural requirements to improve the anticancer activity of 5‐aminosalicylic‐thiazolinone hybrids and pave the way toward multitarget anticancer salicylates.
Investigating the relationship between research income and research excellence in education: Evidence from the REF2021‐UoA23 data
Authors: Boeren Ellen 
Published: August 2023

AbstractThis paper presents and discusses the relationship between the generation of research income and the REF2021 results for universities who submitted a return to Unit of Assessment 23—Education. Research Excellence Framework exercises tend to be time intensive and come with income streams of Government Quality Research funding as well as reputational gains and risks. Based on REF2021 research environment research income data, freely available on the REF2021 website, analyses have been undertaken to investigate the strength of relationships between different types of fundings streams and grade point averages. The results demonstrate strong variation in funding capture across the different universities with Russell Group members tending to generate more income from prestigious funders such as UK Research and Innovation. However, several post‐1992 universities managed to capture significant income from funders like UK and EU governments, without this necessarily translating into higher grade point averages or 4* scores. While generating research income is perceived as an important part of academic life, the paper concludes that achieving research excellence seems more complicated than just following the money.
Dominant negative variants and cotranslational assembly of macromolecular complexes
Authors: Veitia Reiner A. 
Published: August 2023

AbstractPathogenic variants occurring in protein‐coding regions underlie human genetic disease through various mechanisms. They can lead to a loss of function (LOF) such as in recessive conditions or in dominant conditions due to haploinsufficiency. Dominant‐negative (DN) effects, counteracting the activity of the normal gene‐product, and gain of function (GOF) are also mechanisms driving dominance. Here, I discuss a few papers on these specific mechanisms. In short, there is accumulating evidence pointing to differences between LOF versus non‐LOF variants (DN and GOF). The latter are thought to have milder effects on protein structure and, as expected, DN variants are enriched at protein interfaces. This tendency to cluster in 3D space can help improve the ability of computational tools to predict the pathogenicity of DN variants, which is currently a challenging issue. More recent results support the hypothesis whereby cotranslational assembly of macromolecular complexes can buffer deleterious consequences of variants that would otherwise lead to DN effects (DNEs). Indeed, subunits the variants of which are responsible for DNEs tend to elude cotranslational assembly, thus poisoning complexes involving wild‐type subunits. The constraints explaining why the buffering of DNEs is not universal require further investigation.
Unbiased and efficient estimation of causal treatment effects in crossover trials
Authors: Madsen Jeppe Ekstrand Halkjær , Scheike Thomas , Pipper Christian 
Published: August 2023

AbstractWe introduce causal inference reasoning to crossover trials, with a focus on thorough QT (TQT) studies. For such trials, we propose different sets of assumptions and consider their impact on the modeling strategy and estimation procedure. We show that unbiased estimates of a causal treatment effect are obtained by a g‐computation approach in combination with weighted least squares predictions from a working regression model. Only a few natural requirements on the working regression and weighting matrix are needed for the result to hold. It follows that a large class of Gaussian linear mixed working models lead to unbiased estimates of a causal treatment effect, even if they do not capture the true data‐generating mechanism. We compare a range of working regression models in a simulation study where data are simulated from a complex data‐generating mechanism with input parameters estimated on a real TQT data set. In this setting, we find that for all practical purposes working models adjusting for baseline QTc measurements have comparable performance. Specifically, this is observed for working models that are by default too simplistic to capture the true data‐generating mechanism. Crossover trials and particularly TQT studies can be analyzed efficiently using simple working regression models without biasing the estimates for the causal parameters of interest.
Combination of MAR and intron increase transgene expression of episomal vectors in CHO cells
Authors: Wang Xiao‐yin , Zhang Wei‐li , Zhang Xi , Fu Yu‐shun , Wang Hao‐min , Sun Qiu‐li , Li Qin , Jia Yan‐long , Zhang Jun‐he , Wang Tian‐yun 
Published: August 2023

AbstractPrevious work has shown that the EF‐1α promoter of episomal vectors maintains high‐level transgene expression in stably transfected Chinese hamster ovary (CHO) cells. However, the transgene expression levels need to be further increased. Here, we first incorporated matrix attachment regions (MARs), ubiquitous chromatin opening element (UCOE), stabilizing anti repressor elements 40 (STAR 40) elements into episomal vector at different sites and orientations, and systemically assessed their effects on transgene expression in transfected CHO‐K1 cells. Results showed that enhanced green fluorescent protein (eGFP) expression levels increased remarkably when MAR X‐29 was inserted upstream of the promoter, followed by the insertion of MAR1 downstream of the poly A, and the orientation had no significant effect. Moreover, MAR X‐29 combined with human cytomegalovirus intron (hCMVI) yielded the highest transgene expression levels (4.52‐fold). Transgene expression levels were not exclusively dependent on transgene copy numbers and were not related to the mRNA expression level. In addition, vector with MAR X‐29+hCMVI can induce herpes simplex virus thymidine kinase (HSV‐TK) protein expression, and the HSV‐TK protein showed a cell‐killing effect and an obvious bystander effect on HCT116 cells. In conclusion, the combination of MAR X‐29 and hCMV intron can achieve high efficiency transgene expression mediated by episomal vectors in CHO‐K1 cells.
Giving information strategically and transparently: A pilot trial of the Oncolo‐GIST intervention to promote patients' prognostic understanding
Authors: Prigerson Holly G. , Russell David , Kakarala Sophia E. , Derry‐Vick Heather M. , Shah Manish A. , Saxena Ashish , Reyna Valerie F. , Ocean Allyson , Scheff Ronald , Maciejewski Paul K. , Epstein Andrew S. 
Published: August 2023

AbstractPurposeMost patients with cancer lack the prognostic understanding necessary to make informed decisions. We tested the feasibility and acceptability of the Oncolo‐GIST (“Giving Information Strategically and Transparently, GIST”) intervention and explored its associations with patients' improved prognostic understanding.MethodsThe Oncolo‐GIST intervention distills prognostic discussions into easy‐to‐understand talking points. Patients with metastatic cancers that progressed on ≥1 line of chemotherapy and not expected to survive 12 months (n = 31) were recruited from October 2020 through November 2022. We compared patients who discussed their progressive scans with an oncologist trained in the GIST technique or not (i.e., usual care). A primary outcome was prognostic understanding (e.g., patients reporting a life‐expectancy of months) assessed within a week of the scan discussion visit.ResultsOncologists (n = 4) appeared receptive to the Oncolo‐GIST intervention and scored nearly perfectly on post‐training tests of material mastery after a < 2‐h tutorial. Post‐scan discussion visit, 100% of patients who met with an Oncolo‐GIST‐trained clinician understood that their cancer was considered incurable (a 31% improvement from pre‐visit) compared with 91% of patients meeting with usual care oncologists (an 18% improvement); 33% of patients who met with an Oncolo‐GIST‐trained oncologist understood that they likely had months, not years, compared to 18% in the usual care group. No statistically significant differences emerged for these changes, nor for therapeutic alliance, anxiety, or depression scores between groups.ConclusionOncolo‐GIST appears to be an easily learned approach to improve prognostic understanding that neither undermines therapeutic alliances nor increases patients' anxiety or depressive symptoms. Efficacy testing in a larger trial is warranted.
Dehydration of Amides by Redox‐Active Phenalenyl Based Mn‐Catalyst
Authors: Chakraborty Soumi , Biswas Amit , Mandal Swadhin K. 
Published: August 2023

AbstractA redox‐active phenalenyl ligand coordinated Mn(III)‐complex can be reduced chemically to generate an active catalyst containing a ligand‐centered radical. This chemically reduced Mn‐catalyst shows excellent catalytic reactivity for silylative dehydration of a wide range of primary amides (including late‐stage diversification of various bio‐active molecules) to synthesize nitriles using an inert and inexpensive silane, polymethylhydrosiloxane (PMHS), under mild conditions. Control experiments suggest a radical pathway for the present catalytic reaction, initiated by the ligand‐centered radical.
Highly Efficient Base Catalyzed N‐alkylation of Amines with Alcohols and β‐Alkylation of Secondary Alcohols with Primary Alcohols
Authors: Garg Nitish K. , Tan Mattias , Johnson Magnus T. , Wendt Ola F. 
Published: August 2023

AbstractBorrowing hydrogen (BH) reactions are very useful for the sustainable synthesis of C−C and C−N bonds. They generally operate with transition metal‐based catalysts along with stoichiometric/catalytic amounts of added base. Here we report that two catalytic transformations, generally carried out with the BH methodology, i. e. N‐alkylation of amines with alcohols and β‐alkylation of secondary alcohols with primary alcohols, can be performed very effectively with just catalytic amounts of base under air without using any transition metal‐based catalyst. The mechanism is proposed to be based on air oxidation of the alcohol to aldehyde followed by condensation to an unsaturated intermediate which undergoes transfer hydrogenation with alcohol to the product.
Thermodynamics of Textile Dyes Partitioning in Alcohol‐Based Aqueous Two‐Phase Systems
Authors: Silva Santos Beatriz , de Carvalho Batista Muniz Izabella , Santos Sampaio Vanessa , Reinert Ramos Gandolfi Olga , Martins Veloso Cristiane , da Costa Ilhéu Fontan Rafael , Ferreira Bonomo Renata Cristina 
Published: August 2023

AbstractThe aim of this work was a complete thermodynamic study on the partitioning of Remazol Yellow l, Remazol Brilliant Blue, and Remazol Red dyes in isopropyl alcohol + sodium phosphate + water aqueous two‐phase systems at different temperatures. The free energy change of transfer, enthalpy change of transfer, and entropy change of transfer were evaluated. The effects of the structure of the dye, tie line length, and temperature on the partitioning were studied. The results indicate that these aqueous two‐phase systems have high capacity to extract the dyes from aqueous matrices to the organic phase of these systems and are an interesting alternative to effluent treatment process.
Pd‐Catalyzed Tandem Pathway for Stereoselective Synthesis of (E)‐1,3‐Enyne from β‐Nitroalkenes by Using a Sacrificial Directing Group
Authors: Mondal Subal , Midya Siba P. , Das Suman , Mondal Soumya , Islam Abu S. M. , Ghosh Pradyut 
Published: August 2023

AbstractThe involvement of nitroalkenes instead of minimal one alkyne motif for (E)‐1,3‐enynes synthesis through a palladium catalyzed stereoselective bond forming pathway at room temperature is presented. Implication of nitro group as a sacrificial directing group, formation of magical alkyne on a newly developed Csp3‐Csp3 bond with initial palladium‐MBH adduct make this methodology distinctive. This protocol features an unprecedented sequential acetate addition, carbon‐carbon bond formation, isomerization of double bond and nitromethane degradation in a tandem catalytic walk via dancing hybridization. Mechanistic understanding through identification of intermediates and computational calculations furnishes complete insight into the tandem catalytic pathway. Broad substrates scope and functional groups tolerance make this synthetic methodology magnificent and dynamic. This represents the first example of stereoselective 1,3‐enyne synthesis exclusively from alkene substrates by introducing the concept of sacrificial directing group.