bluuebunny/crossref_metadata_2025_split huggingface dataset:
Inbreeding in Solanum carolinense alters floral attractants and rewards and adversely affects pollinator visitation
Authors: Kariyat Rupesh R. , Bentley Thomas G. , Nihranz Chad T. , Stephenson Andrew G. , De Moraes Consuelo M. , Mescher Mark C. 
Published: January 2021

PREMISEInbreeding depression is well documented in flowering plants and adversely affects a wide range of fitness‐related traits. Recent work has begun to explore the effects of inbreeding on ecological interactions among plants and other organisms, including insect herbivores and pathogens. However, the effects of inbreeding on floral traits, floral scents, and pollinator visitation are less well studied.METHODSUsing inbred and outbred maternal families of horsenettle (Solanum carolinense, Solanaceae), we examined the effects of inbreeding on traits associated with pollinator attraction and floral rewards. Specifically, we measured corolla size, counted pollen grains per flower, and analyzed floral volatile emissions via gas chromatography and mass spectrometry. We also examined pollinator visitation to experimental arrays of flowering inbred and outbred plants under field conditions.RESULTSCompared to those of outbred plants, flowers of inbred plants exhibited reduced corolla size and pollen production, as well as significantly reduced emission of the two most abundant volatile compounds in the floral blend. Furthermore, bumblebees—the main pollinators of horsenettle—discriminated against inbred flowers in the field: bees were more likely to make initial visits to flowers on outbred plants, visited outbred flowers more often overall, and spent more time on outbred flowers.CONCLUSIONSThese results show that inbreeding can (1) alter floral traits that are known to mediate pollinator attraction; (2) reduce the production of floral rewards (pollen is the sole reward in horsenettle); and (3) adversely affect pollinator visitation under field conditions.
Maternal physical, socioeconomic, and demographic characteristics and childbirth complications in rural lowland Nepal: Applying an evolutionary framework to understand the role of phenotypic plasticity
Authors: Wells Jonathan C. K. , Marphatia Akanksha A. , Cortina‐Borja Mario , Manandhar Dharma S. , Reid Alice M. , Saville Naomi 
Published: January 2021

AbstractObjectivesEvolutionary perspectives on human childbirth have primarily focused on characteristics of our species in general, rather than variability within and between contemporary populations. We use an evolutionary framework to explore how physical and demographic characteristics of mothers shape the risks of childbirth complications in rural lowland Nepal, where childbearing typically commences in adolescence and chronic undernutrition is widespread, though maternal overweight is increasing in association with nutrition transition.MethodsWe conducted secondary analyses of data from a cluster‐randomized trial. Women aged 14–35 years were categorized by age, number of previous pregnancies, height, body mass index (BMI), husband's education, and household wealth. Multivariable logistic regression models tested whether these characteristics independently predicted risks of episiotomy and cesarean section (CS, n = 14 261), and obstructed labor (OL, n = 5185).ResultsRisks were greatest among first‐time adolescent mothers, though associations with age varied by outcome. Independent of age and parity, short stature and high BMI increased risks of CS and OL, whereas associations were weaker for episiotomy. Male offspring had increased risk of CS and OL but not episiotomy. Wealth was not associated with OL, but lower wealth and lower husband's education were associated with lower likelihood of episiotomy and CS.ConclusionsAt the individual level, the risk childbirth complications is shaped by trade‐offs between fertility, growth, and survival. Some biological markers of disadvantage (early childbearing, short stature) increased the risk, whereas low socio‐economic status was associated with lower risk, indicating reduced access to relevant facilities. Independent of these associations, maternal age showed complex effects.
Metal‐free Catalytic Esterification of Aryl Alkyl Ketones with Alcohols via Free‐radical Mediated C(sp3)−H Bond Oxygenation
Authors: Rammurthy Banothu , Peraka Swamy , Vasu Amrutham , Krishna Sai Gajula , Divya Rohini Yennamaneni , Narender Nama 
Published: January 2021

AbstractA novel metal‐free catalytic one‐pot approach has been developed for the esterification of aralkyl ketones with alcohols under open‐air atmospheric conditions. The inexpensive iodide/oxone reagent system allowed the cascade C(sp3)−H bond oxygenation, selective C−C bond cleavage and esterification through the both radical and ionic pathways in a stepwise manner in one‐pot. This mild, convenient and economically viable catalytic method tolerates the various functional groups to provide the corresponding alkyl benzoates in up to 98% yields with up to 99% selectivity. The efficiency and feasibility of scale‐up of the present catalytic system was demonstrated with gram scale experiments (up to 10 gram scale).
Illuminating the Electronic Properties of WS2 Polytypism with Electron Microscopy
Authors: van Heijst Sabrya E. , Mukai Masaki , Okunishi Eiji , Hashiguchi Hiroki , Roest Laurien I. , Maduro Louis , Rojo Juan , Conesa‐Boj Sonia 
Published: January 2021

AbstractTailoring the specific stacking sequence (polytypes) of layered materials represents a powerful strategy to identify and design novel physical properties. While nanostructures built upon transition‐metal dichalcogenides (TMDs) with either the 2H or 3R crystalline phases have been routinely studied, knowledge of TMD nanomaterials based on mixed 2H/3R polytypes is far more limited. In this work, mixed 2H/3R free‐standing WS2 nanostructures displaying a flower‐like configuration are fingerprinted by means of state‐of‐the‐art transmission electron microscopy. Their rich variety of shape‐morphology configurations is correlated with relevant local electronic properties such as edge, surface, and bulk plasmons. Machine learning is deployed to establish that the 2H/3R polytype displays an indirect band gap of . Further, high resolution electron energy‐loss spectroscopy reveals energy‐gain peaks exhibiting a gain‐to‐loss ratio greater than unity, a property that can be exploited for cooling strategies of atomically‐thin TMD nanostructures and devices built upon them. The findings of this work represent a stepping stone towards an improved understanding of TMD nanomaterials based on mixed crystalline phases.
Cys–Cys and Cys–Lys Stapling of Unprotected Peptides Enabled by Hypervalent Iodine Reagents
Authors: Ceballos Javier , Grinhagena Elija , Sangouard Gontran , Heinis Christian , Waser Jerome 
Published: January 2021

AbstractEasy access to a wide range of structurally diverse stapled peptides is crucial for the development of inhibitors of protein‐protein interactions. Herein, we report bis‐functional hypervalent iodine reagents for two‐component cysteine‐cysteine and cysteine‐lysine stapling yielding structurally diverse thioalkyne linkers. This stapling method works with unprotected natural amino acid residues and does not require pre‐functionalization or metal catalysis. The products are stable to purification and isolation. Post‐stapling modification can be accessed via amidation of an activated ester, or via cycloaddition onto the formed thioalkyne group. Increased helicity and binding affinity to MDM2 was obtained for a i,i+7 stapled peptide.
Metal‐Free Directed C−H Borylation of Pyrroles
Authors: Wang Zheng‐Jun , Chen Xiangyang , Wu Lei , Wong Jonathan J. , Liang Yong , Zhao Yue , Houk Kendall N. , Shi Zhuangzhi 
Published: January 2021

AbstractRobust strategies to enable the rapid construction of complex organoboronates in selective, practical, low‐cost, and environmentally friendly modes remain conspicuously underdeveloped. Here, we develop a general strategy for the site‐selective C−H borylation of pyrroles by using only BBr3 directed by pivaloyl groups, avoiding the use of any metal. The site‐selectivity is generally dominated by chelation and electronic effects, thus forming diverse C2‐borylated pyrroles against the steric effect. The formed products can readily engage in downstream transformations, enabling a step‐economic process to access drugs such as Lipitor. DFT calculations (wB97X‐D) demonstrate the preferred positional selectivity of this reaction.
Hybrid Wireframe DNA Nanostructures with Scaffolded and Scaffold‐Free Modules
Authors: Cui Yan , Yan Jun , Wei Bryan 
Published: January 2021

AbstractThe scaffolded DNA origami approach and the scaffold‐free LEGO approach both demonstrate an extraordinary self‐assembly capability for constructing all kinds of complex DNA nanostructures. Combining the construction elements of the two approaches, we introduce a hybrid framework to build wireframe structures in this study. A collection of two‐dimensional (2D) and three‐dimensional (3D) wireframe structures are presented to showcase the simple and versatile design. Our development reveals more of the ever‐expanding design space of structural DNA nanotechnology.
Different real‐time degradation scenarios of functionalized poly(ε‐caprolactone) for biomedical applications
Authors: Rangel André , Nguyen Tuan Ngoc , Egles Christophe , Migonney Véronique 
Published: January 2021

AbstractAnterior cruciate ligament (ACL) ruptures are a much‐commented injury as it can end the season or even career of professional athletes. However, the recovery of a patient from the general population is no less painful during the long period required by current treatments. Artificial ligaments could improve this healing, yet, orthopedic surgeons are still cautious about permanent ACL implants. Therefore, combining biodegradation and bioactivity could be a key feature for the popularization of these devices. This study aim at evaluating the real‐time degradation of poly(ε‐caprolactone) (PCL) grafted with the bioactive polymer sodium polystyrene sulfonate in different scenarios. PCL physical–chemical properties were evaluated before and after degradation. In addition, in vitro experiments were realized to confirm the long term influence of the grafting on cell response. Altogether, we were able to show different degradations scenarios, enabling to study the impact of degradation environment on degradation mode and rate of functionalized PCL.
Robust nickel silicate catalysts with high Ni loading for CO2 methanation
Authors: Liao Lin , Chen Lidong , Ye Run‐Ping , Tang Xiaolu , Liu Jian 
Published: January 2021

AbstractCO2 is the main component of greenhouse gases and also an important carbon source. The hydrogenation of CO2 to methane using Ni‐based catalysts can not only alleviate CO2 emissions but also obtain useful fuels. However, Ni‐based catalysts face one major problem of the sintering of Ni nanoparticles in the process of CO2 methanation. Thus, this work has synthesized a series of efficient and robust nickel silicate catalysts (NiPS−X) with different nickel content derived from nickel phyllosilicate by the hydrothermal method. It was found that the Ni loading plays a critical role in the structure and catalytic performance of the NiPS−X catalysts. The catalytic performance gradually increases with the increase of Ni loading. In particular, the highly dispersed NiPS‐1.6 catalyst with a high Ni loading of 34.3 wt% could obtain the CO2 conversion greater than 80%, and the methane selectivity was close to 100% for 48 h at 330 °C and the GHSV of 40,000 mL g−1 h−1. The excellent catalytic property can be assigned to the high dispersion of Ni nanoparticles and the strong interaction between the active component and the carrier, which is derived from a unique layered silicate structure with lots of nickel phyllosilicate and a large number of Lewis acid sites.
Slow Magnetic Relaxation in a Co2Dy Trimer and a Co2Dy2 Tetramer
Authors: Modak Ritwik , Sikdar Yeasin , Gómez‐García Carlos J. , Benmansour Samia , Chatterjee Sudipta , Goswami Sanchita 
Published: January 2021

AbstractThe combination of Co(III) and Dy(III) with a compartmental Schiff base ligand (H3L=3‐[(2‐Hydroxy‐3‐methoxy‐benzylidene)‐amino]‐propane‐1,2‐diol), presenting three different coordinating pockets, has allowed the synthesis of two novel Co(III)−Dy(III) complexes: [Co2Dy(HL)4]NO3 ⋅ 2CH3CN (1), a rare example of trinuclear linear CoIII2DyIII complex (and the first with slow relaxation of magnetization in absence of a DC field) and [Co2Dy2(μ3−OH)2(HL)2(OAc)6] ⋅ 4.6H2O (2), the first tetranuclear CoIII2DyIII2 cluster with a rhomb‐like structure where the Co(III) ions are connected along the short diagonal of the rhomb. 1 presents two different relaxation processes: a fast relaxation dominated by Quantum tunnelling (QT) and a slow relaxation with an energy barrier of 40 K. 2 shows two close relaxation processes without applied DC fields that follow QT and Orbach mechanisms whereas for HDC=500 Oe, the QT is cancelled and a direct term appears. Here we present the synthesis, X‐ray structure and magnetic characterization of these two Co(III)−Dy(III) single‐ion/molecule magnets.
Preparation and evaluation a mixed‐mode stationary phase with C18 and 2‐methylindole for HPLC
Authors: Hosseini Elham Sadat , Tabar Heydar Kourosh 
Published: January 2021

AbstractA modified C18 column (Silpr‐2MI‐C18) was prepared using 2‐methylindole and C18 reagent. The extent of C18 hydrocarbon chain, conjugative rings and anion exchange site provided multiple retention mechanisms, including reversed‐phase liquid chromatography (RPLC), π–π interaction, hydrophilic interaction liquid chromatography (HILIC) and anion exchange chromatography (AEC). The separation of protected amino acids was investigated on the commercial C18 and Silpr‐2MI‐C18 columns, while the chromatographic conditions, including methanol content and pH of the mobile phase, were studied. The separation arrangement of the hydrophilic amino acids was different on the Silpr‐2MI‐C18 column compared to the commercial C18 column under RPLC mode. Furthermore, these amino acids were separated on the Silpr‐2MI‐C18 column under HILIC mode. The modified C18 column was employed to separate amino acids, alkylbenzenes and polycyclic aromatic hydrocarbons under RPLC mode and inorganic anion under AEC mode. The results confirm that this new stationary phase of RPLC/HILIC/AEC has multiple interactions with different analytes. Effective retention of biological samples was found on the Silpr‐2MI‐C18 column by comparing the results obtained from the commercial C18 column.
Oxidative degradation profile studies of tavaborole by a validated stability indicating RP‐UPLC method: Isolation and characterization of novel degradant using 2D‐NMR and HRMS
Authors: Puppala Umamaheshwar , Marisetti Vishnu Murthy , Srinivas Koduri S. V. , Reddy K. Venkateshwara , Kaliyaperumal Muralidharan , Doddipalla Raju 
Published: January 2021

AbstractThe current research work reports a study on the degradation profile of tavaborole, which is an oxaborole antifungal drug used to treat infections in the toenails. This work also reports the chemical stability of tavaborole in different stress conditions along with the isolation and characterization of degradation products by high‐resolution mass spectrometry and two‐dimensional nuclear magnetic resonance techniques. A sensitive and reproducible stability‐indicating ultra‐performance liquid chromatography method was developed and validated for quantification of tavaborole bulk drug in the presence of degradation products. Significant degradation was observed during oxidative stress conditions using H2O2. It was observed that the drug was highly unstable under oxidation stress conditions and thus degradation profiles with various oxidizing reagents were studied. One unknown impurity (DP‐1) was formed during peroxide degradation, which was isolated by reverse‐phase preparative chromatography. The structure of this degradant was characterized by high‐resolution mass spectrometry and multidimensional nuclear magnetic resonance techniques. The structure of this novel impurity DP‐1 was identified as [4‐fluoro‐2‐(hydroxymethyl)phenol], which was not reported as a degradant in the literature. An Acquity BEH C18, 100 × 2.1 mm, 1.7 μm column was used to achieve the desired separation within a shorter runtime of 4.0 min. The method was validated for specificity, precision, linearity and accuracy over the concentration range of 5.0–400 μg ml−1 (r2 −0.9999) and limit of quantitation 5.0 μg ml−1. This method is compatible with LCMS analysis which enables to identify the unknown impurities formed in the process.
Metabolic profiles of Jin‐hong tablets in rats by ultra‐performance liquid chromatography coupled with quadrupole time‐of‐flight tandem mass spectrometry
Authors: Liu Ling‐Xian , Cao Liang , Shi Dan‐Feng , Wang Zhen‐Zhong , Xiao Wei , Yao Xin‐Sheng , Li Hai‐Bo , Yu Yang 
Published: January 2021

AbstractJin‐hong tablets (JHTs), a well‐known traditional Chinese patent medicine (TCPM), have been effectively used for the treatment of chronic superficial gastritis (CSG). The metabolic profile of TCPMs is performed to determine their bioactive components. In this study, a five‐step strategy based on ultra‐performance liquid chromatography coupled with quadrupole time‐of‐flight tandem mass spectrometry and metabolynx™ software combined with mass defect filter technique was developed to delineate the metabolic profile of JHT in vivo. As a result, a total of 163 JHT‐related xenobiotics (38 prototypes and 125 metabolites) were identified or tentatively characterized in rat biological samples, and the phase I and II metabolism processes mainly included demethylation, hydroxylation, sulfation, and glucuronidation. In addition, after oral administration of JHT, a large amount of alkaloid‐related ingredients was detected in rat plasma samples, indicating that alkaloids may play an important role in the treatment of CSG with JHT. This study is beneficial for understanding the JHT’s in vivo metabolic profiles and characteristics, which helps to reveal its in vivo effective components and provides a solid basis for further studies on its functional mechanism.
The effects of voluntary complex and regular wheel running exercises on the levels of 8‐oxoguanine DNA glycosylase, semaphorin 3B, H2O2, and apoptosis in the hippocampus of diabetic rats
Authors: Fazelzadeh Mohammad , Afzalpour Mohammad Esmaeil , Fallah Mohammadi Ziya , Falah Mohammadi Hossein 
Published: January 2021

AbstractPurposeOne of the most frequent complications associated with diabetes mellitus is apoptosis within the brain which can lead to cognitive disorders. Exercise is considered the best non‐pharmacological approach to reduce the severity and extent of cell death through poorly‐understood mechanisms. The aim of this study was to investigate the effects of voluntary complex and regular wheel running on the levels of 8‐oxoguanine DNA glycosylase (OGG1), semaphorin 3B (sema3B), hydrogen peroxide (H2O2), and apoptosis in the hippocampus of diabetic rats.Methods48 Wistar male rats were randomly divided into 6 groups: healthy control (C), diabetes control (D), regular wheel running + diabetes (RWD), complex wheel running + diabetes (CWD), healthy regular wheel running (RW), and healthy complex wheel running (CW). The diabetic rat model was produced by intraperitoneal injection of streptozotocin (STZ). The protocol encompassed a 4‐week voluntary running training regimen on regular and complex wheel running apparatus. The rats were sacrificed 48 hr after the last training session. To measure the protein concentrations within the hippocampus, ELISA has been utilized. One‐way ANOVA was used to compare the groups.ResultsThere were no significant differences in OGG1 protein levels between the groups. H2O2 level in the D group was significantly higher than the C group (p = .002), while this in RWD and CWD groups was considerably lower than the D group (p = .002 and p = .003, respectively). In the D group, the levels of apoptosis and Sema3B were significantly (p = .001 and p = .007, respectively) higher than C, RWD (p = .001, p = .0001, respectively), and CWD groups (p = .001, p = .006, respectively). Nevertheless, there were not any significant differences between RWD and CWD groups.ConclusionThe increased levels of Sema3B, H2O2, and apoptosis within the hippocampus associated with diabetes could be noticeably restored by both types of voluntary wheel running protocols.
Callosal abnormalities, altered cortisol levels, and neurocognitive deficits associated with early maltreatment among adolescents: A voxel‐based diffusion‐tensor imaging study
Authors: Cunha Paulo Jannuzzi , Duran Fabio L.S. , de Oliveira Paula Approbato , Chaim‐Avancini Tiffany M. , Milioni Ana Luiza V. , Ometto Mariella , Squarzoni Paula , Santos Pedro P. , Caetano Sheila C. , Busatto Geraldo F. , Scivoletto Sandra 
Published: January 2021

AbstractIntroductionNeuroimaging studies have shown callosal abnormalities among maltreated subjects, but little is known about the functional and neurobiological correlates of these supposed developmental alterations. The aim of this study was to investigate childhood maltreatment (CM), neurocognitive functioning, cortisol levels, and corpus callosum (CC) integrity among adolescents.MethodsOne hundred and seven subjects underwent magnetic resonance imaging (MRI) with voxel‐based diffusion‐tensor imaging (DTI) and the Crossed Finger Localization Test (CFLT). Psychopathology was investigated with the Schedule for Affective Disorders and Schizophrenia (K‐SADS‐PL); CM was detailed by the Childhood Trauma Questionnaire (CTQ), and salivary cortisol levels were measured by immunoassay.ResultsHigher levels of CM were associated with current lower CFLT scores, mainly in the CROSSED condition, involving interhemispheric communication of sensorimotor information (p < .05) and with reduced fractional anisotropy (FA) in thespleniumof the CC (p < .01). Deficits in the CFLT were also associated with higher cortisol levels (p < .05).ConclusionThe association among CM, neuropsychological abnormalities, callosal microstructure alterations, and cortisol levels suggests an altered pattern of brain interhemispheric connectivity among maltreated adolescents. Further studies are needed to investigate the extent to which these sensorimotor deficits and abnormal cortisol levels may be possible mediators of negative neurodevelopmental trajectories and adult psychopathology.