bluuebunny/crossref_metadata_2025_split huggingface dataset:
Antibiofilm Activity of Invasive Plants against Candida albicans: Focus on Baccharis halimifolia Essential Oil and Its Compounds
Authors: Desrini Sufi , Ducloux Julien , Hamion Guillaume , Bodet Charles , Labanowski Jérome , Mustofa Mustofa , Nuryastuti Titik , Imbert Christine , Girardot Marion 
Published: July 2023

AbstractThe extracts of five invasive plants were investigated for antifungal and antibiofilm activities against Candida albicans, C. glabrata, C. krusei, and C. parapsilosis. The antifungal activity was evaluated using the microdilution assay and the antibiofilm effect by measurement of the metabolic activity. Ethanol and ethanol‐water extracts of Reynoutria japonica leaves inhibited 50 % of planktonic cells at 250 μg mL−1 and 15.6 μg mL−1, respectively. Ethanol and ethanol‐water extracts of Baccharis halimifolia inhibited >75 % of the mature biofilm of C. albicans at 500 μg mL−1. The essential oil (EO) of B. halimifolia leaves was the most active (50 % inhibition (IC50) at 4 and 74 μg mL−1against the maturation phase and 24 h old‐biofilms of C. albicans, respectively). Oxygenated sesquiterpenes were the primary contents in this EO (62.02 %), with β‐caryophyllene oxide as the major component (37 %). Aromadendrene oxide‐(2), β‐caryophyllene oxide, and (±)‐β‐pinene displayed significant activities against the maturation phase (IC50=9–310 μ mol l−1) and preformed 24 h‐biofilm (IC50=38–630 μ mol l−1) of C. albicans with very low cytotoxicity for the first two compounds. C. albicans remained the most susceptible species to this EO and its components. This study highlighted for the first time the antibiofilm potential of B. halimifolia, its EO and some of its components.
Mechanical Interlocking to Unlock the Reinforcing Potential of Carbon Nanotubes
Authors: Mena‐Hernando Sofia , Eaton Matthew , Fernández‐Blázquez Juan P. , López‐Moreno Alejandro , Pedersen Henrik , Pérez Emilio M. 
Published: July 2023

AbstractSingle‐walled carbon nanotubes (SWNTs) present extraordinary mechanical properties, with Youngs’ modulus>1 TPa and tensile strength>50 GPa; this makes them ideal candidates as fillers for the reinforcement of polymers. However, the performance of SWNTs in this field has fallen behind expectations. This is due to a combination of imperfect individualization of the SWNTs and poor load transfer from the polymer to the SWNTs. Here, we study the reinforcement of polymers of different chemical nature using mechanically interlocked derivatives of single‐walled carbon nanotubes (MINTs). We compare the mechanical properties of fibers made of poly (methyl methacrylate) (PMMA) and polysulfone (PSU) and their composites made with pristine SWNTs, MINTs, and the corresponding supramolecular models. With very low loading of MINTs (0.01 % w/w), improvements of more than 100 % on Youngs Modulus and the tensile strength are observed for both the nonpolar aliphatic PMMA and the very polar aromatic PSU polymers, while pristine carbon nanotubes and the supramolecular nanofillers showed smaller reinforcement. These data, together with our previous report on the reinforcement of polystyrene (nonpolar and aromatic), indicate that derivatization of SWNTs as MINTs is a valid general strategy to optimize the interaction between SWNT fillers and the polymer matrix.
The Rapid Synthesis of Colibactin Warhead Model Compounds Using New Metal‐Free Photocatalytic Cyclopropanation Reactions Facilitates the Investigation of Biological Mechanisms
Authors: Bosveli Artemis , Griboura Nefeli , Kampouropoulos Ioannis , Kalaitzakis Dimitris , Montagnon Tamsyn , Vassilikogiannakis Georgios 
Published: July 2023

AbstractHerein, we report the synthesis of a series of colibactin warhead model compounds using two newly developed metal‐free photocatalytic cyclopropanation reactions. These mild cyclopropanations expand the known applications of eosin within synthesis. A halogen atom transfer reaction mode has been harnessed so that dihalides can be used as the cyclopropanating agents. The colibactin warhead models were then used to provide new insight into two key mechanisms in colibactin chemistry. An explanation is provided for why the colibactin warhead sometimes undergoes a ring expansion‐addition reaction to give fused cyclobutyl products while at other times nucleophiles add directly to the cyclopropyl unit (as when DNA adds to colibactin). Finally, we provide some evidence that Cu(II) chelated to colibactin may catalyze an important oxidation of the colibactin‐DNA adduct. The Cu(I) generated as a result could then also play a role in inducing double strand breaks in DNA.
Rapid Unambiguous Structure Elucidation of Streptnatamide A, a New Cyclic Peptide Isolated from A Marine‐derived Streptomyces sp
Authors: Yan Jia‐Xuan , Wu Qihao , Maity Mitasree , Braun Doug R. , Alas Imraan , Wang Xiao , Yin Xing , Zhu Yanlong , Bell Bailey A. , Rajski Scott R. , Ge Ying , Richardson Douglas D. , Zhong Wendy , Bugni Tim S. 
Published: July 2023

AbstractCyclic peptides have been excellent source of drug leads. With the advances in discovery platforms, the pharmaceutical industry has a growing interest in cyclic peptides and has pushed several into clinical trials. However, structural complexity of cyclic peptides brings extreme challenges for structure elucidation efforts. Isotopic fine structure analysis, Nuclear magnetic resonance (NMR), and detailed tandem mass spectrometry rapidly provided peptide sequence for streptnatamide A, a cyclic peptide isolated from a marine‐derived Streptomyces sp. Marfey's analysis determined the stereochemistry of all amino acids, enabling the unambiguous structure determination of this compound. A non‐ribosomal peptide synthetase biosynthetic gene cluster (stp) was tentatively identified and annotated for streptnatamide A based on the in silico analysis of whole genome sequencing data. These analytical tools will be powerful tools to overcome the challenges for cyclic peptide structure elucidation and accelerate the development of bioactive cyclic peptides.
Total Synthesis of (−)‐5‐Deoxyenterocin and Attempted Late‐Stage Functionalization Reactions
Authors: Koser Lilla , Bach Thorsten 
Published: July 2023

AbstractThe first total synthesis of (−)‐5‐deoxyenterocin has been accomplished starting from pentane‐1,3,5‐triol (16 steps in the longest linear sequence, 0.2 % overall yield). (−)‐Menthone served as the source of chirality to distinguish the enantiotopic hydroxymethyl groups of the substrate. Key steps of the synthesis include two aldol reactions to either end of the C5‐skeleton, a diastereoselective hydroxylation reaction and a biomimetic twofold intramolecular aldol reaction as the final step. Although this step suffered from geometrical constraints and was low yielding (10 %), enough synthetic material could be secured to substantiate the relative and absolute configuration of the natural product. Additional experiments were directed toward a C−H functionalization at carbon atom C5. Despite the fact that several protocols could be successfully applied to (3aR)‐(+)‐sclareolide as model substrate, (−)‐5‐deoxyenterocin withstood any selective functionalization.
Triggering gel‐sol transition by weak magnetic field
Authors: Stovbun Sergey V. , Zanin Anatoly M. , Skoblin Aleksey A. , Mikhaleva Mariya G. , Kuznetsov Dmitry A. , Zlenko Dmitry V. 
Published: July 2023

AbstractThe self‐assembly of small and always chiral molecules into fiber‐like structures is a mysterious process, as the physics underlying such self‐assembly is unclear. The energy necessary for this process exceeds the one provided by common dispersion interactions and hydrogen bonding. The recent results obtained by the scientific group of Prof. Naaman from the Weizmann Institute of Science fed light on the nature of forces providing for the self‐assembly of chiral molecules and attributed these forces to spin‐exchange interactions. Therefore, the self‐assembly of chiral molecules should be magneto‐sensitive. We found such sensitivity in solutions of trifluoroacetylated
‐amino alcohols, and the process was inhibited by the magnetic field when fibers grew on the surface of the substrate. On the contrary, in bulk, the self‐assembly was enhanced by the magnetic field and led to the formation of a dense gel, while no gelation was observed in the absence of the external magnetic field. The latter observations are the theme of this short report, aimed to declare the effect itself but not pretend to describe it in full.
Facile Modification on Buried Interface for Highly Efficient and Stable FASn0.5Pb0.5I3 Perovskite Solar Cells with NiOx Hole‐Transport layers†
Authors: Zhang Hui , Zhou Yuan , Guo Tonghui , Zhang Xiang , Zhu Zhenkun , Jin Junjun , Cui Xiaxia , Zhang Dan , Wang Zhen , Li Lin , Wang Nai , Tang Guanqi , Tai Qidong 
Published: July 2023

Comprehensive SummaryFormamidinium (FA)‐based Sn‐Pb perovskite solar cells (FAPb0.5Sn0.5I3 PSCs) with ideal bandgap and impressive thermal stability have caught enormous attention recently. However, it still suffers from the challenge of realizing high efficiency due to the surface imperfections of the transport materials and the energy‐level mismatch between functional contacts. Herein, it is demonstrated that the modification on buried interface with alkali metal salts is a viable strategy to alleviate these issues. We systematically investigate the role of three alkali metal bromide salts (NaBr, KBr, CsBr) by burying them between the NiOx hole transport layer (HTL) and the perovskite light‐absorbing layer, which can effectively passivate interface defects, improve energy‐level matching and release the internal residual strain in perovskite layers. The device with CsBr buffer layer exhibits the best power conversion efficiency (PCE) approaching 20%, which is one of the highest efficiencies for FA‐based Sn‐Pb PSCs employing NiOx HTLs. Impressively, the long‐term storage stability of the unencapsulated device is also greatly boosted. Our work provides an efficient strategy to prepare desired FA‐based ideal‐bandgap Sn‐Pb PSCs which could be applied in tandem solar cells.
Dual Functional Diblock Amino Acid Copolymer Displaying Synergistic Effect with Curcumin against MRSA and Encapsulation of Curcumin†
Authors: Wu Yueming , Chen Yuan , Yu Haowen , Dong Alideertu , Liu Runhui 
Published: July 2023

Comprehensive SummaryThe intensive use of antibiotics intensifies the development of bacterial resistance, which has become a serious problem globally. Methicillin‐resistant Staphylococcus aureus (MRSA) has resulted in significant morbidity and mortality. Therefore, it is an urgent need to develop new antimicrobial drugs and administration methods. Herein, we report a dual functional diblock copolymer PLL20‐b‐PBLG20, which was prepared by superfast and water‐insensitive polymerization on N‐carboxyanhydrides (NCA) initiated by tetraalkylammonium carboxylate. In addition to direct antimicrobial activity, PLL20‐b‐PBLG20 also exerts a synergistic bactericidal effect against MRSA with curcumin, a plant extract with antibacterial property. Moreover, PLL20‐b‐PBLG20 successfully encapsulates curcumin to form nanoparticles via self‐assembly. The combination of dual functional PLL20‐b‐PBLG20 and curcumin holds promise in combating MRSA infections.
Pathological and radiological response following neoadjuvant treatments in primary localized resectable myxofibrosarcoma and undifferentiated pleomorphic sarcoma of the extremities and trunk wall
Authors: Danieli Maria , Barretta Francesco , Radaelli Stefano , Fiore Marco , Sangalli Claudia , Barisella Marta , Palassini Elena , Miceli Rosalba , Frezza Anna Maria , Callegaro Dario , Collini Paola , Casali Paolo Giovanni , Stacchiotti Silvia , Gronchi Alessandro 
Published: July 2023

AbstractBackgroundTo explore the correlation between pathological and radiological response to preoperative treatments and outcome in surgically treated patients with myxofibrosarcoma (MFS) and undifferentiated pleomorphic sarcoma (UPS).MethodsAll consecutive patients with primary localized MFS and UPS of the extremities and trunk wall surgically treated with curative intent at our center (2005‐2021) were included. Clinical data including residual visible tumor (VT%) on surgical specimen and Response Evaluation Criteria in Solid Tumor (RECIST) were retrieved. Kaplan–Meier curves for overall survival and disease‐free survival, and cumulative incidence of local relapse and distant metastasis were estimated in a competing risk framework according to RECIST and VT%, overall and by treatment group. Cox and Fine and Gray multivariable models were performed.ResultsOf 693 patients affected by primary MFS and UPS, 233 (66 MFS and 167 UPS) were treated by neoadjuvant chemotherapy (naChT), radiotherapy (naRT), or both (naChT‐RT). VT% was ≤5% in 13/46 (28.2%), 24/99 (24.2%), and 40/88 (45.4%) patients, respectively. There were 11/46 (29.7%), 22/99 (22.7%), and 23/88 (26.1%) RECIST partial responses and 18/46 (48.6%), 59/99 (60.8%), and 60/88 (68.2%) RECIST stable disease, respectively. In naChT, a trend for a better survival was observed when VT% ≤5% (p = .09), whereas RECIST partial responses and stable disease had the same outcome. VT% was not associated with outcome in naRT or naChT‐RT, whereas RECIST response was.ConclusionIn primary localized MFS and UPS treated with neoadjuvant therapies, VT% seems more relevant than size reduction after naChT, whereas the opposite is true when naRT is administered alone or concurrent to ChT.
A contact model based on the coefficient of restitution for simulations of bio‐prosthetic heart valves
Authors: Asadi Hossein , Borazjani Iman 
Published: July 2023

AbstractA new general contact model is proposed for preventing inter‐leaflet penetration of bio‐prosthetic heart valves (BHV) at the end of the systole, which has the advantage of applying kinematic constraints directly and creating smooth free edges. At the end of each time step, the impenetrability constraints and momentum exchange between the impacting bodies are applied separately based on the coefficient of restitution. The contact method is implemented in a rotation‐free, large deformation, and thin shell finite‐element (FE) framework based on loop's subdivision surfaces. A nonlinear, anisotropic material model for a BHV is employed which uses Fung‐elastic constitutive laws for in‐plane and bending responses, respectively. The contact model is verified and validated against several benchmark problems. For a BHV‐specific validation, the computed strains on different regions of a BHV under constant pressure are compared with experimentally measured data. Finally, dynamic simulations of BHV under physiological pressure waveform are performed for symmetrical and asymmetrical fiber orientations incorporating the new contact model and compared with the penalty contact method. The proposed contact model provides the coaptation area of a functioning BHV during the closing phase for both of the fiber orientations. Our results show that fiber orientation affects the dynamic of leaflets during the opening and closing phases. A swirling motion for the BHV with asymmetrical fiber orientation is observed, similar to experimental data. To include the fluid effects, fluid–structure interaction (FSI) simulation of the BHV is performed and compared to the dynamic results.
Clinical presentation, treatment patterns, and outcomes of colorectal cancer patients at Tikur Anbessa Specialized Hospital in Addis Ababa, Ethiopia: A prospective cohort study
Authors: Zingeta Girum Tessema , Worku Yohannes T. , Getachew Assefa , Feyisa Jilcha Diribi , Furgassa Hawi , Belay Winini , Mengesha Tariku , Jemal Ahmedin , Assefa Mathewos 
Published: July 2023

AbstractBackgroundColorectal cancer (CRC) is the third most common cause of cancer death in both genders worldwide.AimsThis study aimed to evaluate the outcomes and prognostic factors of CRC patients at Tikur Anbessa Specialized Hospital in Ethiopia.Methods and ResultsA prospective cohort study was conducted on 209 patients from January 2020 to September 2022. Kaplan–Meier curves and bivariate and multivariate Cox regression analyses were used to analyze overall and progression‐free survival, with a significance value of P < .05. Results showed an overall mortality rate was 67.46% (95% confidence interval [CI]: 61.0–74.0), while the 1‐year overall survival (OS) rate was 63.16% (95% CI: 56.23–69.29), with a median follow‐up duration of 20 months. The median OS and progression‐free survival times were 17 and 11 months, respectively. Age above 40 years (hazard ratio [HR] = 1.53, 1.02–2.29, p < .040), lower educational level (high school and below) (HR = 2.20, 1.24–3.90, p < .007), poor performance status (HR = 1.60, 1.03–2.48, p < .035), Hgb ≤12.5 g/dL (HR = 1.55, 1.03–2.08, p < .035), T‐4 disease (HR = 6.05, 2.28–16.02, p < .000), and metastases at diagnosis (HR = 8.53, 3.77–19.25, p < .000) were all associated with poorer survival.ConclusionThese findings suggest that poor survival of CRC patients in Ethiopia is largely due to advanced stage of the disease and lack of timely treatment, and highlight the urgent need for improved access to cancer treatment in the region.
Co3O4 Supported on β‐Mo2C with Different Interfaces for Electrocatalytic Oxygen Evolution Reaction
Authors: Zhang Jiaxin , Li Sisi , Liu Xiaohan , Zheng Haoquan , Zhang Wei , Cao Rui 
Published: July 2023

AbstractInterface engineering is an effective strategy for improving the activity of catalysts in electrocatalytic oxygen evolution reaction (OER). Herein, Co3O4 supported on β‐Mo2C with different interfaces were investigated for electrocatalytic OER. The morphological diversity of β‐Mo2C supports allowed different Co3O4‐Mo2C interactions. Various techniques characterized the composition and microstructure of the interface in the composites. Due to the strong interaction between Co3O4 nanoparticles and β‐Mo2C nanobelts with opposing surface potentials, compact interface was observed between Co3O4 active species and β‐Mo2C nanobelt support. The compact interface enhanced the conductivity of the material and also regulated the interfacial electron redistribution of Mo and Co atoms, promoting the charge transfer process during OER. In addition, the surface loading of Co3O4 can effectively improve the hydrophilicity of the surface. β‐Mo2C has the capability in dissociating H2O molecules. Thus, an example has been carefully demonstrated for interface engineering in electrocatalytic OER.
Variation of insulin‐related peptides accompanying the differentiation of Aphis gossypii biotypes and their expression profiles
Authors: Jiang Weili , Nasir Muhammad , Zhao Chenchen 
Published: July 2023

AbstractInsulin signaling plays a critical role in regulating various aspects of insect biology, including development, reproduction, and the formation of wing polyphenism. This leads to differentiation among insect populations at different levels. The insulin family exhibits functional variation, resulting in diverse functional pathways. Aphis gossypii Glover, commonly known as the cotton‐melon aphid, is a highly adaptable aphid species that has evolved into multiple biotypes. To understand the genetic structure of the insulin family and its evolutionary diversification and expression patterns in A. gossypii, we conducted studies using genome annotation files and RNA‐sequencing data. Consequently, we identified 11 insulin receptor protein (IRP) genes in the genomes of the examined biotypes. Among these, eight AgosIRPs were dispersed across the X chromosome, while two were found in tandem on the A1 chromosome. Notably, AgosIRP2 exhibited alternative splicing, resulting in the formation of two isoforms. The AgosIRP genes displayed a high degree of conservation between Hap1 and Hap3, although some variations were observed between their genomes. For instance, a transposon was present in the coding regions of AgosIRP3 and AgosIRP9 in the Hap3 genome but not in the Hap1 genome. RNA‐sequencing data revealed that four AgosIRPs were expressed ubiquitously across different morphs of A. gossypii, while others showed specific expression patterns in adult gynopara and adult males. Furthermore, the expression levels of most AgosIRPs decreased upon treatment with the pesticide acetamiprid. These findings demonstrate the evolutionary diversification of AgosIRPs between the genomes of the two biotypes and provide insights into their expression profiles across different morphs, developmental stages, and biotypes. Overall, this study contributes valuable information for investigating aphid genome evolution and the functions of insulin receptor proteins.
Local weather affects body condition of three North American songbird species on the Texas Coast
Authors: McCloy Michael W. D. , Glasscock Selma , Grace Jacquelyn K. 
Published: July 2023

AbstractBody condition is a frequently used physiological indicator of avian health and can be affected by an array of environmental variables. Although a number of studies have investigated the specific effects of individual weather variables on body condition in birds, few have analyzed the effects of both temperature and precipitation within the context of an extreme weather event such as hurricanes. In this study, we examined the relationship between breeding‐season body condition and daily maximum temperature, daily minimum temperature, and monthly total precipitation for three passerine bird species at the Welder Wildlife Refuge near Rockport, Texas. We also evaluated yearly changes in body condition over a 12‐year period for northern cardinals (Cardinalis cardinalis), painted buntings (Passerina ciris), and white‐eyed vireos (Vireo griseus), focusing on the extreme precipitation event of Hurricane Harvey, which caused heavy localized flooding. We found that body condition declined with average daily minimum and maximum temperatures, while precipitation had varied, species‐specific effects in the three species analyzed. Our results also suggest that northern cardinals experienced a notable reduction in average body condition in the 2 years following Hurricane Harvey. Taken together, we conclude that short‐term precipitation and temperature drivers can be important correlates of body condition in songbirds and that severe weather events may reduce body condition in some bird species.
Adaptive host responses to infection can resemble parasitic manipulation
Authors: Jensen Camilla Håkonsrud , Weidner Jacqueline , Giske Jarl , Jørgensen Christian , Eliassen Sigrunn , Mennerat Adèle 
Published: July 2023

AbstractUsing a dynamic optimisation model for juvenile fish in stochastic food environments, we investigate optimal hormonal regulation, energy allocation and foraging behaviour of a growing host infected by a parasite that only incurs an energetic cost. We find it optimal for the infected host to have higher levels of orexin, growth and thyroid hormones, resulting in higher activity levels, increased foraging and faster growth. This growth strategy thus displays several of the fingerprints often associated with parasite manipulation: higher levels of metabolic hormones, faster growth, higher allocation to reserves (i.e. parasite‐induced gigantism), higher risk‐taking and eventually higher predation rate. However, there is no route for manipulation in our model, so these changes reflect adaptive host compensatory responses. Interestingly, several of these changes also increase the fitness of the parasite. Our results call for caution when interpreting observations of gigantism or risky host behaviours as parasite manipulation without further testing.