bluuebunny/crossref_metadata_2025_split huggingface dataset:
Photo-induced trifunctionalization of bromostyrenes via remote radical migration reactions of tetracoordinate boron species
Authors: Li Chaokun , Liao Shangteng , Chen Shanglin , Chen Nan , Zhang Feng , Yang Kai , Song Qiuling 
Published: April 2022

AbstractTetracoordinate boron species have emerged as radical precursors via deboronation by photo-induced single electron transfer (SET) pathway. These reactions usually produce an alkyl radical and boron-bound species, and the valuable boron species are always discarded as a by-product. Given the importance of boron species, it will be very attractive if the two parts could be incorporated into the eventual products. Herein we report a photo-catalyzed strategy in which in situ generated tetracoordinated boron species decomposed into both alkyl radicals and boron species under visible light irradiation, due to the pre-installation of a vinyl group on the aromatic ring, the newly generated alkyl radical attacks the vinyl group while leaving the boron species on ipso-position, then both radical part and boron moiety are safely incorporated into the final product. Tertiary borons, secondary borons, gem-diborons as well as 1,2-diborons, and versatile electrophiles are all well tolerated under this transformation, of note, ortho-, meta- and para-bromostyrenes all demonstrated good capabilities. The reaction portraits high atom economy, broad substrate scope, and diversified valuable products with tertiary or quaternary carbon center generated, with diborons as substrates, Csp2-B and Csp3-B are established simultaneously, which are precious synthetic building blocks in chemical synthesis.
Structure and reactivity of germylene-bridged digold complexes
Authors: Wang Liliang , Zhen Guorong , Li Yinhuan , Kira Mitsuo , Yan Liping , Chang Xiao-Yong , Huang Lu , Li Zhifang 
Published: April 2022

AbstractThe bonding between gold and main-group metallic elements (M) featuring Auδ−−Mδ+ polarity, has been studied recently. The gold in the bonds is expected to have the oxidation number of −1, and hence, nucleophilic. However, the knowledge of the reactivity of the gold-metal bonds remains limited. Here, we report digold-substituted germanes of the form of R’2Ge(AuPR3)(AuGeR’2) (3a; R = Me, 3b; R = Et), featuring two Au-Ge(IV) and one Au-Ge(II) bonds. DFT calculations of 3a revealed the existence of high-lying σ(Ge-Au) type HOMO and low-lying LUMO with germylene pπ nature. A pendular motion of AuPR3 group between Ge(IV) and Ge(II) of 3 occurs in the NMR time scale, suggesting that the Ge(II) center has an enhanced electrophilicity to be attacked by the nucleophilic gold (−I) atom. 3a reacts with nucleophilic Cl− and electrophilic MeOTf reagents at Ge(II) and Ge(IV) centers, respectively.
Corrosion of aluminum alloy 7075 induced by marine Aspergillus terreus with continued organic carbon starvation
Authors: Zhang Yuxuan , He Jiaqi , Zheng Li , Jin Zhengyu , Liu Haixian , Liu Lan , Gao Zhizeng , Meng Guozhe , Liu Hongfang , Liu Hongwei 
Published: April 2022

AbstractThe corrosion of aluminum alloys (AA) caused by fungi has been considered as the typical reason causing the failure of aviation materials, but its corrosion mechanism is still unclear. In this work, AA 7075 corrosion induced by Fungus Aspergillus terreus with continued organic carbon starvation was investigated in artificial seawater. Results indicate that A. terreus can survive with organic carbon starvation and form a biofilm on AA surface, then accelerate AA corrosion. The pitting corrosion is more severe in biotic environments, and it is closely related to the initial spore concentration. The higher initial spore concentration, the more A. terreus survivors, leading to the more severe pitting corrosion. Acid corrosion caused by organic acids of A. terreus has no contribution to the corrosion acceleration of aluminum alloys. A. terreus can help to destroy the passive film of aluminum alloys, leading to more corrosion pits compared with the control.
Relationships between cognitive performance, clinical insight and regional brain volumes in schizophrenia
Authors: Alkan Erkan , L. H. Evans Simon 
Published: April 2022

AbstractImpairments in cognitive performance are common in schizophrenia, and these contribute to poor awareness of symptoms and treatment (‘clinical insight’), which is an important predictor of functional outcome. Although relationships between cognitive impairment and reductions in regional brain volumes in patients are relatively well characterised, less is known about the brain structural correlates of clinical insight. To address this gap, we aimed to explore brain structural correlates of cognitive performance and clinical insight in the same sample. 108 patients with schizophrenia (SZH) and 94 age and gender-matched controls (CON) (from the Northwestern University Schizophrenia Data and Software Tool (NUSDAST) database) were included. SZH had smaller grey matter volume across most fronto-temporal regions and significantly poorer performance on all cognitive domains. Multiple regression showed that higher positive symptoms and poorer attention were significant predictors of insight in SZH; however, no significant correlations were seen between clinical insight and regional brain volumes. In contrast, symptomology did not contribute to cognitive performance, but robust positive relationships were found between regional grey matter volumes in fronto-temporal regions and cognitive performance (particularly executive function). Many of these appeared to be unique to SZH as they were not observed in CON. Findings suggest that while there exists a tight link between cognitive functioning and neuropathological processes affecting gross brain anatomy in SZH, this is not the case for clinical insight. Instead, clinical insight levels seem to be influenced by symptomology, attentional performance and other subject-specific variables.
A combination screening to identify enhancers of para-aminosalicylic acid against Mycobacterium tuberculosis
Authors: Heo Jinyeong , Koh Dahae , Woo Minjeong , Kwon Doyoon , de Almeida Falcão Virgínia Carla , Wood Connor , Lee Honggun , Kim Kideok , Choi Inhee , Jang Jichan , Brodin Priscille , Shum David , Delorme Vincent 
Published: April 2022

AbstractPara-aminosalicylic acid (PAS) is an antibiotic that was largely used for the multi-therapy of tuberculosis in the twentieth century. To try to overcome the inconvenience of its low efficacy and poor tolerance, we searched for novel chemical entities able to synergize with PAS using a combination screening against growing axenic Mycobacterium tuberculosis. The screening was performed at a sub-inhibitory concentration of PAS on a library of about 100,000 small molecules. Selected hit compounds were analyzed by dose–response and further probed with an intracellular macrophage assay. Scaffolds with potential additive effect with PAS are reported, opening interesting prospects for mechanism of action studies. We also report here evidence of a yet unknown bio-activation mechanism, involving activation of pyrido[1,2-a]pyrimidin-4-one (PP) derivatives through the Rv3087 protein.
Proposal of a population wide genome-based testing for Covid-19
Authors: Lehrach Hans , Curtis Jon , Lange Bodo , Ogilvie Lesley A. , Gauss Richard , Steininger Christoph , Scholz Erhard , Kreck Matthias 
Published: April 2022

AbstractOur lives (and deaths) have by now been dominated for two years by COVID-19, a pandemic that has caused hundreds of millions of disease cases, millions of deaths, trillions in economic costs, and major restrictions on our freedom. Here we suggest a novel tool for controlling the COVID-19 pandemic. The key element is a method for a population-scale PCR-based testing, applied on a systematic and repeated basis. For this we have developed a low cost, highly sensitive virus-genome-based test. Using Germany as an example, we demonstrate by using a mathematical model, how useful this strategy could have been in controlling the pandemic. We show using real-world examples how this might be implemented on a mass scale and discuss the feasibility of this approach.
The human milk microbiome aligns with lactation stage and not birth mode
Authors: Lyons Katriona E. , Shea Carol-Anne O.’ , Grimaud Ghjuvan , Ryan C. Anthony , Dempsey Eugene , Kelly Alan L. , Ross R. Paul , Stanton Catherine 
Published: April 2022

AbstractWe analysed the human milk microbiome in a cohort of 80 lactating women and followed the dynamics in taxa over the course of lactation from birth to 6 months. Two hundred and thirty one milk samples were collected from full-term lactating women at 1, 4, 8 and 24 weeks following birth and analysed for microbiota composition using 16S rRNA sequencing. A significant decrease in milk microbiota diversity was observed throughout the first 6 months of lactation, with the greatest difference seen between week 8 and week 24. Nine genera predominated in milk over lactation from week 1 to week 24, comprising ofStaphylococcus,Streptococcus,Pseudomonas,Acinetobacter, Bifidobacterium, Mesorhizobium, Brevundimonas, Flavobacterium,andRhodococcus; however, fluctuations in these core genera were apparent over time. There was a significant effect of stage of lactation on the microbiome, while no effect of birth mode, infant sex and maternal BMI was observed throughout lactation.Streptococcushad the highest mean relative abundance at week 1 and 24 (17.3% and 24% respectively), whereasPseudomonaspredominated at week 4 (22%) and week 8 (19%).BifidobacteriumandLactobacillushad the highest mean relative abundance at week 4 (5% and 1.4% respectively), and occurred at a relative abundance of ≤ 1% at all other time points. A decrease in milk microbiota diversity throughout lactation was also observed. This study concluded that lactation stage was the primary driving factor in milk microbiota compositional changes over lactation from birth to 6 months, while mode of delivery was not a factor driving compositional changes throughout human lactation.
A targetable ‘rogue’ neutrophil-subset, [CD11b+DEspR+] immunotype, is associated with severity and mortality in acute respiratory distress syndrome (ARDS) and COVID-19-ARDS
Authors: Herrera Victoria L. M. , Walkey Allan J. , Nguyen Mai Q. , Gromisch Christopher M. , Mosaddhegi Julie Z. , Gromisch Matthew S. , Jundi Bakr , Lukassen Soeren , Carstensen Saskia , Denis Ridiane , Belkina Anna C. , Baron Rebecca M. , Pinilla-Vera Mayra , Mueller Meike , Kimberly W. Taylor , Goldstein Joshua N. , Lehmann Irina , Shih Angela R. , Eils Roland , Levy Bruce D. , Ruiz-Opazo Nelson 
Published: April 2022

AbstractNeutrophil-mediated secondary tissue injury underlies acute respiratory distress syndrome (ARDS) and progression to multi-organ-failure (MOF) and death, processes linked to COVID-19-ARDS. This secondary tissue injury arises from dysregulated neutrophils and neutrophil extracellular traps (NETs) intended to kill pathogens, but instead cause cell-injury. Insufficiency of pleiotropic therapeutic approaches delineate the need for inhibitors of dysregulated neutrophil-subset(s) that induce subset-specific apoptosis critical for neutrophil function-shutdown. We hypothesized that neutrophils expressing the pro-survival dual endothelin-1/VEGF-signal peptide receptor, DEspR, are apoptosis-resistant like DEspR+ cancer-cells, hence comprise a consequential pathogenic neutrophil-subset in ARDS and COVID-19-ARDS. Here, we report the significant association of increased peripheral DEspR+CD11b+ neutrophil-counts with severity and mortality in ARDS and COVID-19-ARDS, and intravascular NET-formation, in contrast to DEspR[-] neutrophils. We detect DEspR+ neutrophils and monocytes in lung tissue patients in ARDS and COVID-19-ARDS, and increased neutrophil RNA-levels of DEspR ligands and modulators in COVID-19-ARDS scRNA-seq data-files. Unlike DEspR[-] neutrophils, DEspR+CD11b+ neutrophils exhibit delayed apoptosis, which is blocked by humanized anti-DEspR-IgG4S228P antibody, hu6g8, in ex vivo assays. Ex vivo live-cell imaging of Rhesus-derived DEspR+CD11b+ neutrophils showed hu6g8 target-engagement, internalization, and induction of apoptosis. Altogether, data identify DEspR+CD11b+ neutrophils as a targetable ‘rogue’ neutrophil-subset associated with severity and mortality in ARDS and COVID-19-ARDS.
Oligocene moisture variations as evidenced by an aeolian dust sequence in Inner Mongolia, China
Authors: Wasiljeff Joonas , Salminen Johanna M. , Stenman Jarkko , Zhang Zhaoqun , Kaakinen Anu 
Published: April 2022

AbstractThe aridification of Central Asia since the Eocene has widespread evidence, but climate-controlled environmental reorganizations during the Oligocene remain ambiguous. We employed environmental magnetic, mineralogical and geochemical methods on a latest Eocene to late Oligocene terrestrial sequence in Inner Mongolia, China, to examine how global climatic trends and regional factors influenced the evolution of moisture and weathering in the region. Highlighting the climatic influence, our weathering and rainfall proxy data document the drawdown of atmospheric CO2and global cooling during the early Oligocene semi-arid phase, which culminated in the Early Oligocene Aridification Event at 31 Ma. Moreover, for the first time in the terrestrial eastern Central Asian setting, we provide geochemical and geophysical evidence for a second major Oligocene aridification event nearly synchronous to the mid-Oligocene Glacial Maximum at around 28 Ma. These aridification events were interrupted by periods of increased rainfall and weathering and can be associated with the terminations of glacial events seen in marine oxygen isotope records.
Programmable photonic neural networks combining WDM with coherent linear optics
Authors: Totovic Angelina , Giamougiannis George , Tsakyridis Apostolos , Lazovsky David , Pleros Nikos 
Published: April 2022

AbstractNeuromorphic photonics has relied so far either solely on coherent or Wavelength-Division-Multiplexing (WDM) designs for enabling dot-product or vector-by-matrix multiplication, which has led to an impressive variety of architectures. Here, we go a step further and employ WDM for enriching the layout with parallelization capabilities across fan-in and/or weighting stages instead of serving the computational purpose and present, for the first time, a neuron architecture that combines coherent optics with WDM towards a multifunctional programmable neural network platform. Our reconfigurable platform accommodates four different operational modes over the same photonic hardware, supporting multi-layer, convolutional, fully-connected and power-saving layers. We validate mathematically the successful performance along all four operational modes, taking into account crosstalk, channel spacing and spectral dependence of the critical optical elements, concluding to a reliable operation with MAC relative error $$< 2\%$$

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Inflammatory cytokines can be monitored in exhaled breath particles following segmental and inhalation endotoxin challenge in healthy volunteers
Authors: Holz Olaf , Müller Meike , Carstensen Saskia , Olin Anna-Carin , Hohlfeld Jens M. 
Published: April 2022

AbstractParticles in exhaled air (PEx) are generated when collapsed small airways reopen during breathing. PEx can be noninvasively collected by particle impaction, allowing the analysis of undiluted epithelial lining fluid (ELF). We used the endotoxin (LPS) challenge model to proof the concept that PEx can be used to monitor inflammatory changes in the lung. In this pilot study PEx were collected from ten healthy nonsmoking subjects using the PExA® instrument twice before and twice after a segmental LPS challenge (5, 21 h). Following a 4-week washout period, PEx were collected during the week before and 5 h after a whole lung LPS inhalation challenge. PEx biomarkers were compared to blood, bronchoalveolar lavage (BAL) following segmental challenge and induced sputum (ISP) following inhalation challenge. A clear LPS-induced inflammatory response was detectable in BAL fluid, ISP and blood. Albumin and surfactant–protein D were detectable in all PEx samples. While most baseline cytokines were close to or below the detection limit, the median (IQR) IL-6 and IL-8 concentrations in PEx increased significantly after segmental (0.04 (0.03; 0.06) fg/ng PEx; 0.10 (0.08; 0.17) fg/ng PEx) and inhalation LPS challenge (0.19 (0.15; 0.23) fg/ng PEx; 0.32 (0.23; 0.42) fg/ng PEx). Using a highly sensitive analysis platform, we were able to detect a cytokine response in PEx during the early phase of LPS-induced inflammation. This will broaden the spectrum of applications for this noninvasive method to monitor inflammatory processes in the lung, including its use in clinical trials for respiratory drug development.Trial registration: The study has been registered on 07.02.2017 at Clinicaltrials.gov (NCT03044327).
Associations of pulmonary and extrapulmonary computed tomographic manifestations with impaired physical activity in symptomatic patients with chronic obstructive pulmonary disease
Authors: Hamakawa Yoko , Tanabe Naoya , Shima Hiroshi , Terada Kunihiko , Shiraishi Yusuke , Maetani Tomoki , Kubo Takeshi , Kozawa Satoshi , Koizumi Koji , Kanezaki Masashi , Shimizu Kaoruko , Oguma Tsuyoshi , Sato Atsuyasu , Sato Susumu , Hirai Toyohiro 
Published: April 2022

AbstractIn patients with chronic obstructive pulmonary disease (COPD), emphysema, airway disease, and extrapulmonary comorbidities may cause various symptoms and impair physical activity. To investigate the relative associations of pulmonary and extrapulmonary manifestations with physical activity in symptomatic patients, this study enrolled 193 patients with COPD who underwent chest inspiratory/expiratory CT and completed COPD assessment test (CAT) and the Life-Space Assessment (LSA) questionnaires to evaluate symptom and physical activity. In symptomatic patients (CAT ≥ 10, n = 100), emphysema on inspiratory CT and air-trapping on expiratory CT were more severe and height-adjusted cross-sectional areas of pectoralis muscles (PM index) and adjacent subcutaneous adipose tissue (SAT index) on inspiratory CT were smaller in those with impaired physical activity (LSA < 60) than those without. In contrast, these findings were not observed in less symptomatic patients (CAT < 10). In multivariable analyses of the symptomatic patients, severe air-trapping and lower PM index and SAT index, but not CT-measured thoracic vertebrae bone density and coronary artery calcification, were associated with impaired physical activity. These suggest that increased air-trapping and decreased skeletal muscle and subcutaneous adipose tissue quantity are independently associated with impaired physical activity in symptomatic patients with COPD.
Ferric perchlorate hydrate as a new catalyst for highly efficient esterification of cellulose at room temperature
Authors: Ragab Safaa , Eleryan Ahmed , El Nemr Ahmed 
Published: April 2022

AbstractFerric perchlorate was tested for the first time as a new catalyst to accelerate the esterification of microcrystalline cellulose (MCC) at room temperature in a less amount of acetic anhydride compared to the amount used in the conventional methods. It was possible to manufacture cellulose acetate (CA) with a high yield of up to 94%. The influence of changes in reaction time, catalyst amounts, and acetic anhydride on the characterization of cellulose acetate produced was investigated. The optimum condition for esterification of 2.0 g (12.34 mmol) MCC was found to be: 10 mL (105.98 mmol) AC2O, 200 mg (0.564 mmol, anhydrous basis) of Fe(ClO4)3·xH2O and 1 h reaction time at room temperature. The substitution degree of CA was investigated by FTIR and 1H-NMR spectroscopy. Thermal stability of CA was studied using TGA, DTA and DSC analyses. The degree of polymerization and the polydispersity index (PDI) were obtained using Gel permeation chromatography (GPC). This study verified the direct and efficient synthesis of di- and tri-cellulose acetate in one–pot reaction using Fe(ClO4)3·xH2O as a catalyst without using solvent.
Effect of relative GGBS/fly contents and alkaline solution concentration on compressive strength development of geopolymer mortars subjected to sulfuric acid
Authors: Mohamed Osama A. , Al Khattab Rania , Al Hawat Waddah 
Published: April 2022

AbstractThe effect of submerging geopolymer mortar samples in highly acidic solution for 7-, 28-, and 90-days on stability of mass and the development of compressive strength development was assessed experimentally. The mortar binder consisted of GGBS or blends of GGBS and fly ash activated using combinations of NaOH and Na2SiO3 solutions, and samples were cured in room temperature. It was found that maintaining mortar samples continuously under sulfuric acid doesn’t cause reduction compressive strength or mass from one age to the other, up to 90 days. While decalcification, delaumination, and formation of calcium salts due to sulfate attack may have affected mass and strength, submerging samples under water supported formation of geopolymerization products C-A-S-H and N-A-S-H, and consequently increased the mass and compressive strength of cubic mortar samples with fly ash + GGBS blended binder. The resistance of mortar to sulfuric acid remained consistent when mortars were prepared using GGBS:fly ash ratio of 3:1, equal amounts of GGBS and fly ash, and GGBS as sole binder. When geopolymer mortar samples made with each of the three binders was left exposed to air after casting, compressive strength increased from 7- to 28-days after casting, but at 90-days, all mortar samples experienced decrease in compressive strength relative to the 28-day values. The relatively high content of GGBS (≥ 50%) and absence of curing water in relatively dry conditions caused shrinkage cracking and decrease in compressive strength.
Developing a shared sepsis data infrastructure: a systematic review and concept map to FHIR
Authors: Brant Emily B. , Kennedy Jason N. , King Andrew J. , Gerstley Lawrence D. , Mishra Pranita , Schlessinger David , Shalaby James , Escobar Gabriel J. , Angus Derek C. , Seymour Christopher W. , Liu Vincent X. 
Published: April 2022

AbstractThe development of a shared data infrastructure across health systems could improve research, clinical care, and health policy across a spectrum of diseases, including sepsis. Awareness of the potential value of such infrastructure has been heightened by COVID-19, as the lack of a real-time, interoperable data network impaired disease identification, mitigation, and eradication. TheSepsis on FHIRcollaboration establishes a dynamic, federated, and interoperable system of sepsis data from 55 hospitals using 2 distinct inpatient electronic health record systems. Here we report on phase 1, a systematic review to identify clinical variables required to define sepsis and its subtypes to produce a concept mapping of elements onto Fast Healthcare Interoperability Resources (FHIR). Relevant papers described consensus sepsis definitions, provided criteria for sepsis, severe sepsis, septic shock, or detailed sepsis subtypes. Studies not written in English, published prior to 1970, or “grey” literature were prospectively excluded. We analyzed 55 manuscripts yielding 151 unique clinical variables. We then mapped variables to their corresponding US Core FHIR resources and specific code values. This work establishes the framework to develop a flexible infrastructure for sharing sepsis data, highlighting how FHIR could enable the extension of this approach to other important conditions relevant to public health.