bluuebunny/crossref_metadata_2025_split huggingface dataset:
Genomic evolution and adaptation of arthropod-associated Rickettsia
Authors: El Karkouri Khalid , Ghigo Eric , Raoult Didier , Fournier Pierre-Edouard 
Published: March 2022

AbstractRickettsia species are endosymbionts hosted by arthropods and are known to cause mild to fatal diseases in humans. Here, we analyse the evolution and diversity of 34 Rickettsia species using a pangenomic meta-analysis (80 genomes/41 plasmids). Phylogenomic trees showed that Rickettsia spp. diverged into two Spotted Fever groups, a Typhus group, a Canadensis group and a Bellii group, and may have inherited their plasmids from an ancestral plasmid that persisted in some strains or may have been lost by others. The results suggested that the ancestors of Rickettsia spp. might have infected Acari and/or Insecta and probably diverged by persisting inside and/or switching hosts. Pangenomic analysis revealed that the Rickettsia genus evolved through a strong interplay between genome degradation/reduction and/or expansion leading to possible distinct adaptive trajectories. The genus mainly shared evolutionary relationships with α-proteobacteria, and also with γ/β/δ-proteobacteria, cytophagia, actinobacteria, cyanobacteria, chlamydiia and viruses, suggesting lateral exchanges of several critical genes. These evolutionary processes have probably been orchestrated by an abundance of mobile genetic elements, especially in the Spotted Fever and Bellii groups. In this study, we provided a global evolutionary genomic view of the intracellular Rickettsia that may help our understanding of their diversity, adaptation and fitness.
Modelling of the transmission dynamics of carbapenem-resistant Klebsiella pneumoniae in hospitals and design of control strategies
Authors: Changruenngam Suttikiat , Modchang Charin , Bicout Dominique J. 
Published: March 2022

AbstractCarbapenem-resistant Klebsiella pneumoniae (CRKP) has emerged as a major threat to global public health. Epidemiological and infection controls associated with CRKP are challenging because of several potential elements involved in a complicated cycle of transmission. Here, we proposed a comprehensive mathematical model to investigate the transmission dynamics of CRKP, determine factors affecting the prevalence, and evaluate the impact of interventions on transmission. The model includes the essential compartments, which are uncolonized, asymptomatic colonized, symptomatic colonized, and relapsed patients. Additionally, symptomatic colonized and relapsed patients were further classified into subpopulations according to their number of treatment failures or relapses. We found that the admission of colonized patients and use of antibiotics significantly impacted the endemic transmission in health care units. Thus, we introduced the treatment efficacy, defined by combining the treatment duration and probability of successful treatment, to characterize and describe the effects of antibiotic treatment on transmission. We showed that a high antibiotic treatment efficacy results in a significantly reduced likelihood of patient readmission in the health care unit. Additionally, our findings demonstrate that CRKP transmission with different epidemiological characteristics must be controlled using distinct interventions.
Fresh cassava root replacing cassava chip could enhance milk production of lactating dairy cows fed diets based on high sulfur-containing pellet
Authors: Prachumchai Rittikeard , Cherdthong Anusorn , Wanapat Metha , So Sarong , Polyorach Sineenart 
Published: March 2022

AbstractThe experiment objective was to assess the shifting effect from cassava chip (CC) to fresh cassava root (FC) affected feed utilization, rumen metabolism, cyanide-using bacteria, and milk quality in lactating Thai Friesian dairy cows fed diets based on high sulfur-containing pellet (PS). Four lactating Thai Friesian dairy cows of 481.5 ± 31.3 kg BW (about 4 years old were allocated with four treatments in a 4 × 4 Latin square design. The four treatments were: replacement FC for CC at 0%, 60%, 80%, and 100% dry matter (DM), respectively. Feed intakes for four diets in terms of total dry matter intake (kg/day and % BW) was linearly correlated with levels of replacement of FC (p < 0.01). Digestibilities of crude protein (CP), DM, organic matter (OM), amylase-treated neutral detergent fiber (aNDF), and acid detergent fiber (ADF) did not change with increasing levels of FC in the diet (p > 0.05). Moreover, the total bacterial counts and cyanide population utilizing bacteria cubically increased with an increase of FC replacement (p < 0.01). The effect of CC substitution with FC in the PS diet was cubically increased on blood thiocyanate concentrations (p < 0.01). In addition, the propionate (C3) concentration at 0 and 4 h post-feeding changed significantly among treatments (p < 0.01), which were linearly improved with an increasing dose of replacement FC and were highest when FC was replaced at 100%. The yield of 3.5% fat-corrected milk was high in the treatment with the replacement of FC as compared to the control (p < 0.01). The yield of fat and milk fat percentages was high (p < 0.01) in the group with the replacement of FC as compared to feed with no diet replaced. The milk thiocyanate concentration was cubically enhanced when levels of FC replacement increased (p < 0.01) and was the highest when FC was replaced at 100%. As the amount of FC replacement was raised, the somatic cell count in the milk decreased linearly (p < 0.01). In conclusion, the replacement of FC at 100% in PS could enhance the feed intake, microbial populations, total volatile fatty acid (VFA), C3 concentration, milk yield, and milk quality.
Impact of drying methods on the yield and chemistry of Origanum vulgare L. essential oil
Authors: Caputo Lucia , Amato Giuseppe , de Bartolomeis Pietro , De Martino Laura , Manna Francesco , Nazzaro Filomena , De Feo Vincenzo , Barba Anna Angela 
Published: March 2022

AbstractOregano (Origanum vulgare L.) is mainly cultivated, both as fresh and dried herb, for several purposes, such as ailments, drugs, and spices. To evaluate the influence of some drying methods on the chemical composition of the essential oil of oregano, its aerial parts were dehydrated by convective drying techniques (shade, static oven), microwave-assisted heating (three different treatments) and osmotic treatment. The oils were analyzed by GC-FID and GC–MS. The highest essential oil yield was achieved from microwave and shade drying methods. In total, 39 components were found, with carvacrol (ranging from 56.2 to 81.4%) being the main constituent; other compounds present in lower amounts were p-cymene (1.6–17.7%), γ-terpinene (0.8–14.2%), α-pinene (0.1–2.1%), thymol methyl ether (0.4–1.8%) and thimoquinone (0.5–3.5%). The essential oil yields varied among the different treatments as well as the relative compositions. The percentages of p-cymene, γ-terpinene and α-pinene decreased significantly in the dried sample compared with the fresh sample; on the other hand, carvacrol, isoborneol and linalool increased significantly in the dried materials. The choice of the drying method for obtaining the essential oil therefore appears crucial not only in relation to the higher yield but also and above all in reference to the percentage presence of components that can direct the essential oil toward an appropriate use.
Processes of molecular adsorption and ordering enhanced by mechanical stimuli under high contact pressure
Authors: Watanabe Seiya , Tadokoro Chiharu , Miyake Koji , Sasaki Shinya , Nakano Ken 
Published: March 2022

AbstractAdsorbed molecular films, referred to as boundary films in tribology, are widely used in various industrial products as a keyway for surface functionalisation, such as lubricity, wettability, and adhesion. Because boundary films are thin nanometre-scale molecular layers and can easily be removed, their formation process cannot be elucidated in detail. In this study, to analyse the growth dynamics of boundary films, the film thickness and molecular orientation of the boundary film of a fatty acid used as an additive in rolling contact as mechanical stimuli were measured in situ. The measurements were performed on simple test lubricants, which were composed of n-hexadecane and stearic acid, at rolling tribological condition between steel and glass (or sapphire) surfaces by ultrathin film interferometry combined with sum-frequency generation spectroscopy according to a unique protocol. The results quantitatively demonstrate shear-induced boundary film formation. The insight gained from these results is anticipated to enable the formulation of high-performance lubricant additives to further reduce friction loss and high-performance glues that can be freely designed for removability.
Study on the risk of soil heavy metal pollution in typical developed cities in eastern China
Authors: Li Yan , Dong Zhen , Feng Dike , Zhang Xiaomian , Jia Zhenyi , Fan Qingbin , Liu Ke 
Published: March 2022

AbstractEnrichment of heavy metals in urban soils has become a major regional environmental risk. At present, research on the soil heavy metals in cities lacks risk spatial correlation analyses between different heavy metals, and there is a relative lack of assessments of the ecological and health risks. We selected Wuxi, a typical developed city of eastern China, collected and tested the contents of heavy metals in the urban soils of Wuxi in May 2020. Combined with Pb isotope analysis, ecological and health risk assessment, we found that the high heavy metal concentrations in Wuxi are mainly located in the central and western regions, and that the changes in spatial fluctuation are relatively small. The Pb isotopes in the urban soils of Wuxi are distributed in areas, such as those are related to coal combustion, automobile exhaust and urban garbage, indicating that the heavy metals in the urban soils of Wuxi are affected by human activities such as coal combustion and automobile exhaust. The average value of the potential ecological risk index of soil heavy metal Cd is 80.3 (the threshold: 40), which represents a high-risk state. Whether adults or children, the risk of soil heavy metals via ingestion is much higher than that through skin exposure. High health risk values are present in the central area of Wuxi and decrease in a ring-shaped pattern, which is similar to the population distribution of Wuxi and greatly increases the potential risk from soil heavy metals, which should be given close attention. We should develop and use clean energy to replace petroleum fossil fuels, especially in densely populated areas. This study provides technical support for the prevention and control of urban heavy metal pollution.
Long term development of diastolic dysfunction and heart failure with preserved left ventricular ejection fraction in heart transplant recipients
Authors: Vejpongsa Pimprapa , Torre-Amione Guillermo , Marcos-Abdala Hernan G. , Kumar Salil , Youker Keith , Bhimaraj Arvind , Nagueh Sherif F. 
Published: March 2022

AbstractHeart transplant recipients (HTX) have several risk factors for heart failure which can trigger pro-inflammatory and fibrosis factors and set into motion pathophysiologic changes leading to diastolic dysfunction and HFpEF. The objective of the study was to determine if HTX recipients with dyspnea have diastolic dysfunction and HFpEF. Twenty-five HTX were included. LV systolic and diastolic functions were evaluated using conductance catheters to obtain pressure volume loops. LV function was assessed at rest and during moderate intensity exercise of the upper extremities. A significant increase occurred in LV minimal pressure (3.7 ± 3.3 to 6.5 ± 3.5 mmHg) and end diastolic pressure or EDP (11.5 ± 4 to 18 ± 3.8 mmHg, both P < 0.01) with exercise. With exercise, the time constant of LV relaxation shortened in 2, was unchanged in 3, and increased in the remaining patients (group results: rest 40 ± 11.6 vs 46 ± 9 ms, P < 0.01). LV chamber stiffness constant was abnormally increased in all but 2 patients. Indices of LV systolic properties were normal at rest but failed to augment with exercise. In 15 who agreed to blood draw, inflammation and fibrosis markers were obtained. A significant association was observed between LV EDP and Pro-Col III N-terminal (r = 0.58, P = 0.024) and IL-1-soluble receptor (r = 0.59, P = 0.02) levels. HTX have diastolic dysfunction and can develop HFpEF several years after cardiac transplantation. The abnormally increased LV chamber stiffness and the prolongation or lack of shortening of the time constant of LV relaxation with exercise are the underlying reasons behind the observed changes in LV diastolic pressures with exercise.
Optimization of the ultrasonic roll extrusion process parameters based on the SPEA2SDE algorithm
Authors: Wang Xiaoqiang , Wang Haojie , Wang Paigang , Liu Zhifei 
Published: March 2022

AbstractTo obtain the optimal processing parameters of ultrasonic roll extrusion, 42CrMo bearing steel was taken as the research object, and the orthogonal test method was used to design an ultrasonic roll extrusion experiment with spindle speed, feed speed, static pressure and amplitude as parameters. Based on the orthogonal test data, the prediction models of surface roughness, surface residual stress and surface hardness were established by a multiple regression method, and the reliability of the model was verified. An algorithm combining SPEA2 and the shift density estimation strategy (SPEA2SDE) was introduced. The performance of the SPEA2SDE algorithm, NSGA II algorithm and SPEA2 algorithm is tested and compared on a three-dimensional test function set to verify its effectiveness. The SPEA2SDE algorithm are used to solve the multi-objective optimization model to obtain the optimal combination of processing parameters, and the ultrasonic roll extrusion experiment is carried out. The research results show that the surface roughness, surface residual stress and surface hardness optimized by the SPEA2SDE algorithm are in good agreement with the experimental values, and the average error is controlled within 10%, which shows that the algorithm can achieve high precision. It can effectively solve the multi-objective optimization problem of ultrasonic roll extrusion process parameters and can be used to guide actual production machining.
On Perspective Taking in Conversation and in Research: A Comment on Bambara et al. (2021)
Authors: Beechey Timothy 
Published: March 2022

Purpose:
The purpose of this letter is to draw attention to recent literature regarding the communication abilities and experiences of Autistic people and the potential for detrimental effects on mental health and service provision resulting from behavior modification programs. I will argue that viewing Autistic communication as characterized by pragmatic language impairment is inconsistent with evidence of effective and positive communication between Autistic people and with the social model of disability.

Conclusion:
Proposals for interventions targeting Autistic people should carefully weigh the costs and benefits for Autistic people and should integrate the perspectives of Autistic people.
3D RMHD simulations of jet-wind interactions in high-mass X-ray binaries
Authors: López-Miralles J. , Perucho M. , Martí J. M. , Migliari S. , Bosch-Ramon V. 
Published: March 2022

Context. Relativistic jets are ubiquitous in the Universe. In microquasars, especially in high-mass X-ray binaries, the interaction of jets with the strong winds driven by the massive and hot companion star in the vicinity of the compact object is fundamental for understanding the jet dynamics, nonthermal emission, and long-term stability. However, the role of the jet magnetic field in this process is unclear. In particular, it is still debated whether the magnetic field favors jet collimation or triggers more instabilities that can jeopardize the jet evolution outside the binary.
Aims. We study the dynamical role of weak and moderate to strong toroidal magnetic fields during the first several hundred seconds of jet propagation through the stellar wind, focusing on the magnetized flow dynamics and the mechanisms of energy conversion.
Methods. We developed the code Lóstrego v1.0, a new 3D relativistic magnetohydrodynamics code to simulate astrophysical plasmas in Cartesian coordinates. Using this tool, we performed the first 3D relativistic magnetohydrodynamics numerical simulations of relativistic magnetized jets propagating through the clumpy stellar wind in a high-mass X-ray binary. To highlight the effect of the magnetic field in the jet dynamics, we compared the results of our analysis with those of previous hydrodynamical simulations.
Results. The overall morphology and dynamics of weakly magnetized jet models is similar to previous hydrodynamical simulations, where the jet head generates a strong shock in the ambient medium and the initial overpressure with respect to the stellar wind drives one or more recollimation shocks. On the timescales of our simulations (i.e., t < 200 s), these jets are ballistic and seem to be more stable against internal instabilities than jets with the same power in the absence of fields. However, moderate to strong toroidal magnetic fields favor the development of current-driven instabilities and the disruption of the jet within the binary. A detailed analysis of the energy distribution in the relativistic outflow and the ambient medium reveals that magnetic and internal energies can both contribute to the effective acceleration of the jet. Moreover, we verified that the jet feedback into the ambient medium is highly dependent on the jet energy distribution at injection, where hotter, more diluted and/or more magnetized jets are more efficient. This was anticipated by feedback studies in the case of jets in active galaxies.
Wespe statt Biene – Akzidentelle Neusensibilisierung auf Wespengift unter Immuntherapie mit Bienengift
Authors: Bircher Andreas J. , Spoerl David , Scherer Hofmeier Kathrin 
Published: March 2022

ZusammenfassungWährend einer laufenden Immuntherapie mit Bienengift bei einer auf Bienengift monosensibilisierten Patientin wurde im 3. Jahr irrtümlicherweise eine Erhaltungsdosis Wespengift verabreicht. Es traten keine unmittelbaren Nebenwirkungen auf, hingegen konnte nach einigen Wochen ein Anstieg der initial negativen wespengiftspezifischen IgE- und IgG-Antikörper dokumentiert werden. Es muss somit von einer aktiven Sensibilisierung durch die hohe Einmaldosis Wespengift ausgegangen werden. Die Immuntherapie mit Bienengift konnte nach der empfohlenen Dauer von 5 Jahren vollendet werden. Eine akzidentelle nachweislich aktive Sensibilisierung auf ein Allergen ist sehr selten, dürfte aber einen Verstoß gegen die Pflichten aus dem Behandlungsvertrag darstellen und möglicherweise sogar den Tatbestand der Körperverletzung erfüllen. Die permanente Schädigung kann rechtlich schwerer wiegen als ein einmaliger Dosierungsfehler. Die strikte Anwendung von Leitlinienempfehlungen ist zur Vermeidung von systematischen und menschlichen Fehlern unabdingbar.
Das therapeutische Potenzial von Picrorhiza kurroa bei der
Behandlung von Lebererkrankungen
Authors: Magiera Anna 
Published: March 2022

ZusammenfassungDie Wirksamkeit von Naturstoffen hinsichtlich einer leberschützenden
Aktivität wurde in der Wissenschaftsliteratur bereits häufig
beschrieben. In letzter Zeit wächst in Europa das Interesse an
pflanzlichen Stoffen, deren therapeutische Wirksamkeit durch die
östliche Medizin (u. a. der ayurvedischen Medizin)
bestätigt wird. Ein Beispiel für eine aus der ayurvedischen
Medizin stammende Droge mit Heilpotenzial bei Lebererkrankungen ist die Wurzel
und das Rhizom von Picrorhiza kurroa (zur Familie der Scrophulariaceae
gehörend). Das Ziel dieser Übersichtsarbeit ist, den aktuellen
Wissensstand über diesen natürlichen Rohstoff, seine chemische
Zusammensetzung, das therapeutische Potenzial bei der Behandlung von
Leberbeschwerden, die Toxizität und die Anwendungssicherheit
zusammenzufassen.
Rhodium-Catalyzed C–H Activation of Indoles for the Construction of Spiroindole Scaffolds
Authors: Ma Biao , Dai Hui-Xiong , Wang Huiying , Wang Mengmeng 
Published: March 2022

AbstractSpiroindoles are key scaffolds in a large number of natural products, pharmaceuticals, and agrochemicals. Selective C–H activation has emerged as a powerful synthetic approach to streamline the synthesis of substituted spiroindoles. To date, various 2- and 3-indolyl-tethered aza-spiro-centers have been successfully achieved via C–H activation. However, introduction of spiro-containing systems onto the benzenoid core of indole still remains challenging. Herein, a method of Rh(III)-catalyzed selective C7-H activation/cyclization of indole with maleimide to afford novel spiroindole derivatives is reported, which incorporate both succinimide and spirocycle into indole unit. Gram-scale synthesis demonstrates the utility of this protocol, further modification via click chemistry offered a novel scaffold as a versatile spiro linker.
Total Synthesis and Cytotoxic Activity of 7-O-Methylnigrosporolide and Pestalotioprolide D
Authors: Tadpetch Kwanruthai , Thiraporn Aticha , Iawsipo Panata 
Published: March 2022

AbstractA convergent total synthesis of 7-O-methylnigrosporolide and pestalotioprolide D has been accomplished in 17 linear steps and overall yields of 1.7% and 2.6%, respectively, starting from (S)-propylene oxide and (S)-benzyl glycidyl ether. Our synthesis exploited an acetylide addition and a Shiina macrolactonization to assemble the macrocycle, a Lindlar reduction, and Wittig and Still–Gennari olefinations to construct the three alkene groups, as well as a Jacobsen hydrolytic kinetic resolution to install the stereogenic center. The selection of the silyl protecting group of the C-4 alcohol was crucial for the final deprotection step. Our synthesis also led to a hypothesis that pestalotioprolide D might be an artifact of 7-O-methylnigrosporolide. The cytotoxic activities of the two synthetic compounds against six human cancer cell lines were evaluated. Synthetic pestalotioprolide D showed more potent cytotoxic activity than 7-O-methylnigrosporolide against all the cancer cell lines tested, and the SiHa cervical cancer cell line was the most sensitive to both synthetic compounds.
Pd-Catalyzed N–H or C–H Functionalization/Oxidative Cyclization for the Efficient Synthesis of N-Aryl-Substituted [3,4]-Fused Pyrrolo­coumarins
Authors: Litinas Konstantinos E. , Balalas Thomas D. , Kanelli Maria G. , Gabriel Catherine , Pontiki Eleni , Hadjipavlou-Litina Dimitra J. 
Published: March 2022

Abstract1-Aryl-2-methyl- or 3-methylchromeno[4,3-b]pyrrol-4(1H)-ones have been synthesized in excellent yields by the Pd-catalyzed intramolecular aza-Wacker-type cyclization of 3-allyl-4-arylaminocoumarins or C–H insertion/oxidative cyclization of N-allyl-N-aryl-4-aminocoumarins, respectively, in the presence of Cu(OAc)2 in acetic acid under heating. The starting allylcoumarins have been prepared by the allylation of 4-arylaminocoumarins with allyl bromide in CH3CN in the presence of Cs2CO3 at room temperature. Preliminary biological tests indicated interesting antioxidant activity and significant levels of inhibition of soybean lipoxygenase.
Synthesis of β-anti-Substituted α-Amino Acids through Iridium-Catalyzed Alkylation/Chelation-Controlled Nucleophilic Addition
Authors: Wang Xiaolei , Wang Panpan , Zhao Ruibo , Wang Jiaxiang 
Published: March 2022

AbstractAn Ir/Ag dual-catalysis method has been developed for the synthesis of β-anti-substituted α-amino acids in high yields and with good enantioselectivities through a ligand/chelation-control strategy. By using this chiral-ligand-control strategy, a natural product for the regulation of a plant-growth hormone was synthesized on a gram scale in three steps.