bluuebunny/crossref_metadata_2025 huggingface dataset:
Impact of transjugular intrahepatic portosystemic shunt creation on the central lymphatic system in liver cirrhosis
Authors: Pieper Claus Christian , Feißt Andreas , Meyer Carsten , Luetkens Julian , Praktiknjo Michael , Trebicka Jonel , Attenberger Ulrike , Jansen Christian
Published: March 2021

The puropse of this study was to evaluate associations of cisterna chyli (CCh) diameter with portal hemodynamics and the influence of TIPS-creation in cirrhotic patients. 93 cirrhotic patients (57 male, mean age 59 years) received CT prior to TIPS-creation. 38/93 additionally underwent post-interventional CT. CCh-diameter was measured. After categorization into patients with and without large venous collaterals (i.e. > 6 mm), data were analyzed regarding associations between CCh-diameter, clinical and portal-hemodynamic parameters and diameter-changes after TIPS-creation. Patient survival post-TIPS was analyzed. Median portosystemic pressure-gradient decreased from 20 to 9 mmHg after TIPS-creation. Large venous collaterals were observed in 59 patients. In 69/93 patients (74.2%) the CCh was detectable. Mean pre-interventional diameter was 9.4 ± 2.7 mm (large collaterals: 8.7 ± 2.0 mm, no large collaterals: 10.7 ± 3.2 mm, p = 0.003). CCh-diameter correlated strongly with pre-TIPS portal-pressure (Rs = 0.685, p = 0.0001), moderately with portosystemic-gradient (Rs = 0.524, p = 0.006), liver shear-wave-elastography (Rs = 0.597, p = 0.004) and spleen size (Rs = 0.501, p = 0.01) in patients without large collaterals, but not in patients with large collaterals. Post-TIPS CCh-diameter decreased significantly from 10.2 ± 2.8 mm to 8.3 ± 3.0 mm (p < 0.001). Patients without a detectable CCh on CT survived significantly shorter. The diameter of the CCh is associated with portal-pressure and decreases after TIPS-creation in cirrhotic patients, reflecting a portal decompression mechanism via the lymphatic system. Lack of larger central lymphatics detectable on CT may be associated with shorter survival.
Intracellular prostaglandin E2 contributes to hypoxia-induced proximal tubular cell death
Authors: García-Pastor Coral , Benito-Martínez Selma , Bosch Ricardo J. , Fernández-Martínez Ana B. , Lucio-Cazaña Francisco J.
Published: March 2021

Proximal tubular cells (PTC) are particularly vulnerable to hypoxia-induced apoptosis, a relevant factor for kidney disease. We hypothesized here that PTC death under hypoxia is mediated by cyclo-oxygenase (COX-2)-dependent production of prostaglandin E2 (PGE2), which was confirmed in human proximal tubular HK-2 cells because hypoxia (1% O2)-induced apoptosis (i) was prevented by a COX-2 inhibitor and by antagonists of prostaglandin (EP) receptors and (ii) was associated to an increase in intracellular PGE2 (iPGE2) due to hypoxia-inducible factor-1α-dependent transcriptional up-regulation of COX-2. Apoptosis was also prevented by inhibitors of the prostaglandin uptake transporter PGT, which indicated that iPGE2 contributes to hypoxia-induced apoptosis (on the contrary, hypoxia/reoxygenation-induced PTC death was exclusively due to extracellular PGE2). Thus, iPGE2 is a new actor in the pathogenesis of hypoxia-induced tubular injury and PGT might be a new therapeutic target for the prevention of hypoxia-dependent lesions in renal diseases.
Smooth transportation of liquid metal droplets in a microchannel as detected by a serially arranged capacitive device
Authors: Konishi Satoshi , Kakehi Yugo , Mori Fuminari , Bono Shinji
Published: March 2021

Gallium alloy liquid metals (Galinstan) possessing fluidity, electric conductivity, and low toxicity are attractive for use in flexible devices and microfluidic devices. However, the oxide skin of Galinstan in the atmosphere adheres to the microchannel surface, preventing the transportation of Galinstan in the channel. To tackle the problem of the adhesion of Galinstan to microchannel, we introduced liquid with Galinstan into a channel with a diameter of 1000 μm. Then, we found that the cylindrical shape of the channel enabled smooth transportation of Galinstan independently of both the liquid and the channel material. The liquid introduced with Galinstan not only prevents adhesion but also improves the spatial controllability of Galinstan in the channel. We can control the position of Galinstan with 100 μm resolution using highly viscous (> 10 cSt) liquid. In addition, we combined the microchannel with patterned electrodes, fabricating a serially arranged capacitive device. The local capacitance detected by the patterned electrodes changed by more than 6% via the smooth transportation of Galinstan. The analysis results based on an equivalent circuit quantitatively agree with our experimental results. We can modulate the serially arranged capacitors using the smooth transportation of Galinstan in the channel.
Temporal dynamics of intradermal cytokine response to tuberculin in Mycobacterium bovis BCG-vaccinated cattle using sampling microneedles
Authors: Steinbach Sabine , Jalili-Firoozinezhad Sasan , Srinivasan Sreenidhi , Melo Mariane B. , Middleton Sonya , Konold Timm , Coad Michael , Hammond Paula T. , Irvine Darrell J. , Vordermeier Martin , Kapur Vivek
Published: March 2021

Bovine tuberculosis (bTB) is a disease of livestock with severe and worldwide economic, animal welfare and zoonotic consequences. Application of test-and-slaughter-based control polices reliant on tuberculin skin testing has been the mainstay of bTB control in cattle. However, little is known about the temporal development of the bovine tuberculin skin test response at the dermal sites of antigen injection. To fill this knowledge gap, we applied minimally-invasive sampling microneedles (SMNs) for intradermal sampling of interstitial fluid at the tuberculin skin test sites in Mycobacterium bovis BCG-vaccinated calves and determined the temporal dynamics of a panel of 15 cytokines and chemokines in situ and in the peripheral blood. The results reveal an orchestrated and coordinated cytokine and local chemokine response, identified IL-1RA as a potential soluble biomarker of a positive tuberculin skin response, and confirmed the utility of IFN-γ and IP-10 for bTB detection in blood-based assays. Together, the results highlight the utility of SMNs to identify novel biomarkers and provide mechanistic insights on the intradermal cytokine and chemokine responses associated with the tuberculin skin test in BCG-sensitized cattle.
The endophytic microbiota of Citrus limon is transmitted from seed to shoot highlighting differences of bacterial and fungal community structures
Authors: Faddetta Teresa , Abbate Loredana , Alibrandi Pasquale , Arancio Walter , Siino Davide , Strati Francesco , De Filippo Carlotta , Fatta Del Bosco Sergio , Carimi Francesco , Puglia Anna Maria , Cardinale Massimiliano , Gallo Giuseppe , Mercati Francesco
Published: March 2021

Citrus limon (L.) Burm. F. is an important evergreen fruit crop whose rhizosphere and phyllosphere microbiota  have been characterized, while seed microbiota is still unknown. Bacterial and fungal endophytes were isolated from C. limon surface-sterilized seeds. The isolated fungi—belonging to Aspergillus, Quambalaria and Bjerkandera genera—and bacteria—belonging to Staphylococcus genus—were characterized for indoleacetic acid production and phosphate solubilization. Next Generation Sequencing based approaches were then used to characterize the endophytic bacterial and fungal microbiota structures of surface-sterilized C. limon seeds and of shoots obtained under aseptic conditions from in vitro growing seedlings regenerated from surface-sterilized seeds. This analysis highlighted that Cutibacterium and Acinetobacter were the most abundant bacterial genera in both seeds and shoots, while Cladosporium and Debaryomyces were the most abundant fungal genera in seeds and shoots, respectively. The localization of bacterial endophytes in seed and shoot tissues was revealed by Fluorescence In Situ Hybridization coupled with Confocal Laser Scanning Microscopy revealing vascular bundle colonization. Thus, these results highlighted for the first time the structures of endophytic microbiota of C. limon seeds and the transmission to shoots, corroborating the idea of a vertical transmission of plant microbiota and suggesting its crucial role in seed germination and plant development.
Insights into Acinetobacter baumannii fatty acid synthesis 3-oxoacyl-ACP reductases
Authors: Cross Emily M. , Adams Felise G. , Waters Jack K. , Aragão David , Eijkelkamp Bart A. , Forwood Jade K.
Published: March 2021

Treatments for ‘superbug’ infections are the focus for innovative research, as drug resistance threatens human health and medical practices globally. In particular, Acinetobacter baumannii (Ab) infections are repeatedly reported as difficult to treat due to increasing antibiotic resistance. Therefore, there is increasing need to identify novel targets in the development of different antimicrobials. Of particular interest is fatty acid synthesis, vital for the formation of phospholipids, lipopolysaccharides/lipooligosaccharides, and lipoproteins of Gram-negative envelopes. The bacterial type II fatty acid synthesis (FASII) pathway is an attractive target for the development of inhibitors and is particularly favourable due to the differences from mammalian type I fatty acid synthesis. Discrete enzymes in this pathway include two reductase enzymes: 3-oxoacyl-acyl carrier protein (ACP) reductase (FabG) and enoyl-ACP reductase (FabI). Here, we investigate annotated FabG homologs, finding a low-molecular weight 3-oxoacyl-ACP reductase, as the most likely FASII FabG candidate, and high-molecular weight 3-oxoacyl-ACP reductase (HMwFabG), showing differences in structure and coenzyme preference. To date, this is the second bacterial high-molecular weight FabG structurally characterized, following FabG4 from Mycobacterium. We show that ΔAbHMwfabG is impaired for growth in nutrient rich media and pellicle formation. We also modelled a third 3-oxoacyl-ACP reductase, which we annotated as AbSDR. Despite containing residues for catalysis and the ACP coordinating motif, biochemical analyses showed limited activity against an acetoacetyl-CoA substrate in vitro. Inhibitors designed to target FabG proteins and thus prevent fatty acid synthesis may provide a platform for use against multidrug-resistant pathogens including A. baumannii.
Potential role of microbiome in Chronic Fatigue Syndrome/Myalgic Encephalomyelits (CFS/ME)
Authors: Lupo Giuseppe Francesco Damiano , Rocchetti Gabriele , Lucini Luigi , Lorusso Lorenzo , Manara Elena , Bertelli Matteo , Puglisi Edoardo , Capelli Enrica
Published: March 2021

Chronic Fatigue Syndrome/Myalgic Encephalomyelitis (CFS/ME) is a severe multisystemic disease characterized by immunological abnormalities and dysfunction of energy metabolism. Recent evidences suggest strong correlations between dysbiosis and pathological condition. The present research explored the composition of the intestinal and oral microbiota in CFS/ME patients as compared to healthy controls. The fecal metabolomic profile of a subgroup of CFS/ME patients was also compared with the one of healthy controls. The fecal and salivary bacterial composition in CFS/ME patients was investigated by Illumina sequencing of 16S rRNA gene amplicons. The metabolomic analysis was performed by an UHPLC-MS. The fecal microbiota of CFS/ME patients showed a reduction of Lachnospiraceae, particularly Anaerostipes, and an increased abundance of genera Bacteroides and Phascolarctobacterium compared to the non-CFS/ME groups. The oral microbiota of CFS/ME patients showed an increase of Rothia dentocariosa. The fecal metabolomic profile of CFS/ME patients revealed high levels of glutamic acid and argininosuccinic acid, together with a decrease of alpha-tocopherol. Our results reveal microbial signatures of dysbiosis in the intestinal microbiota of CFS/ME patients. Further studies are needed to better understand if the microbial composition changes are cause or consequence of the onset of CFS/ME and if they are related to any of the several secondary symptoms.
Bilingualism is a long-term cognitively challenging experience that modulates metabolite concentrations in the healthy brain
Authors: Pliatsikas Christos , Pereira Soares S. M. , Voits T. , Deluca V. , Rothman J.
Published: March 2021

Cognitively demanding experiences, including complex skill acquisition and processing, have been shown to induce brain adaptations, at least at the macroscopic level, e.g. on brain volume and/or functional connectivity. However, the neurobiological bases of these adaptations, including at the cellular level, are unclear and understudied. Here we use bilingualism as a case study to investigate the metabolic correlates of experience-based brain adaptations. We employ Magnetic Resonance Spectroscopy to measure metabolite concentrations in the basal ganglia, a region critical to language control which is reshaped by bilingualism. Our results show increased myo-Inositol and decreasedN-acetyl aspartate concentrations in bilinguals compared to monolinguals. Both metabolites are linked to synaptic pruning, a process underlying experience-based brain restructuring. Interestingly, both concentrations correlate with relative amount of bilingual engagement. This suggests that degree of long-term cognitive experiences matters at the level of metabolic concentrations, which might accompany, if not drive, macroscopic brain adaptations.
Developing a medium combination to attain similar glycosylation profile to originator by DoE and cluster analysis method
Authors: Xu Jian , Shao Zhihui , Wang Zhanqing , Huang Yingfeng , Zou Xun , Shen Yaling
Published: March 2021

Glycosylation is critical for monoclonal antibody production because of its impact on pharmacokinetics and pharmacodynamics. Modulation of glycan profile is frequently needed in biosimilar development. However, glycosylation profile is not a single value like that of cell culture titer, hence making it challenging for the Design of Experiment (DoE) methodology to be directly applied. In this study, a Her2-binding antibody was developed as a biosimilar to Herceptin. Cluster analysis was introduced to demonstrate the similarity of glycan profiles between the samples and the reference with specific value—distance. The glycosylation was subsequently optimized with the DoE method. Basal medium and feed medium were found to be the significant factors to the glycosylation pattern. Moreover, a combination of medium and feed strategy was developed to attain the most similar glycoprotein molecule to that of the originator biologic drug. This study may provide an additional option to evaluate multivariable factors and assess biosimilarity and/or comparability in monoclonal antibody production.
Esophageal microbiome in active eosinophilic esophagitis and changes induced by different therapies
Authors: Laserna-Mendieta E. J. , FitzGerald J. A. , Arias-Gonzalez L. , Ollala J. M. , Bernardo D. , Claesson M. J. , Lucendo A. J.
Published: March 2021

Eosinophilic esophagitis (EoE) is a chronic, immune-mediated inflammatory esophageal disease triggered by food antigens. Cumulative evidence supports the implication of microbiota and the innate immune system in the pathogenesis of EoE. Changes in the esophageal microbiome were investigated by applying 16S rRNA gene sequencing on esophageal biopsies of adult patients with active EoE at baseline (n = 30), and after achieving remission with either proton pump inhibitors (PPI, n = 10), swallowed topical corticosteroids (STC, n = 10) or food-elimination diets (FED, n = 10). Ten non-EoE biopsies were also characterized as controls. Compared to controls, no differences in alpha (intra-sample) diversity were found in EoE microbiota overall. However, it decreased significantly among patients who underwent FED. As for beta (inter-sample) diversity, non-EoE controls separated from EoE baseline samples. Post-treatment samples from patients treated with PPI and FED had a more similar microbiota composition, while those receiving STC were closer to controls. Differential testing of microbial relative abundance displayed significant changes for Filifactor, Parvimonas and Porphyromonas genera. Analysis of predicted functions indicated alterations in metabolic pathways and abundance of sulphur-cytochrome oxidoreductases. Our findings demonstrate changes in microbiota associated with EoE, as well as a treatment effect on the microbiome.
Influence of soil heterogeneity on soybean plant development and crop yield evaluated using time-series of UAV and ground-based geophysical imagery
Authors: Falco Nicola , Wainwright Haruko M. , Dafflon Baptiste , Ulrich Craig , Soom Florian , Peterson John E. , Brown James Bentley , Schaettle Karl B. , Williamson Malcolm , Cothren Jackson D. , Ham Richard G. , McEntire Jay A. , Hubbard Susan S.
Published: March 2021

Understanding the interactions among agricultural processes, soil, and plants is necessary for optimizing crop yield and productivity. This study focuses on developing effective monitoring and analysis methodologies that estimate key soil and plant properties. These methodologies include data acquisition and processing approaches that use unmanned aerial vehicles (UAVs) and surface geophysical techniques. In particular, we applied these approaches to a soybean farm in Arkansas to characterize the soil–plant coupled spatial and temporal heterogeneity, as well as to identify key environmental factors that influence plant growth and yield. UAV-based multitemporal acquisition of high-resolution RGB (red–green–blue) imagery and direct measurements were used to monitor plant height and photosynthetic activity. We present an algorithm that efficiently exploits the high-resolution UAV images to estimate plant spatial abundance and plant vigor throughout the growing season. Such plant characterization is extremely important for the identification of anomalous areas, providing easily interpretable information that can be used to guide near-real-time farming decisions. Additionally, high-resolution multitemporal surface geophysical measurements of apparent soil electrical conductivity were used to estimate the spatial heterogeneity of soil texture. By integrating the multiscale multitype soil and plant datasets, we identified the spatiotemporal co-variance between soil properties and plant development and yield. Our novel approach for early season monitoring of plant spatial abundance identified areas of low productivity controlled by soil clay content, while temporal analysis of geophysical data showed the impact of soil moisture and irrigation practice (controlled by topography) on plant dynamics. Our study demonstrates the effective coupling of UAV data products with geophysical data to extract critical information for farm management.
The gut microbiota metabolite urolithin A inhibits NF-κB activation in LPS stimulated BMDMs
Authors: Abdelazeem Khalid N. M. , Kalo M. Zaher , Beer-Hammer Sandra , Lang Florian
Published: March 2021

Inflammation is a natural defense process of the innate immune system, associated with the release of proinflammatory cytokines such as interleukin-1β, interleukin-6, interleukin-12 and TNFα; and enzymes including iNOS through the activation and nuclear translocation of NF-κB p65 due to the phosphorylation of IκBα. Regulation of intracellular Ca2+ is considered a promising strategy for the prevention of reactive oxygen species (ROS) production and accumulation of DNA double strand breaks (DSBs) that occurs in inflammatory-associated-diseases. Among the metabolites of ellagitannins that are produced in the gut microbiome, urolithin A (UA) has received an increasing attention as a novel candidate with anti-inflammatory and anti-oxidant effects. Here, we investigated the effect of UA on the suppression of pro-inflammatory molecules and NF-κB activation by targeting TLR4 signalling pathway. We also identified the influence of UA on Ca2+ entry, ROS production and DSBs availability in murine bone-marrow-derived macrophages challenged with lipopolysaccharides (LPS). We found that UA inhibits IκBα phosphorylation and supresses MAPK and PI3K activation. In addition, UA was able to reduce calcium entry, ROS production and DSBs availability. In conclusion, we suggest that urolithin A is a promising therapeutic agent for treating inflammatory diseases through suppression of NF-κB and preserving DNA through maintaining intracellular calcium and ROS homeostasis.
Modular genome-wide gene expression architecture shared by early traits of osteoporosis and atherosclerosis in the Young Finns Study
Authors: Mishra Binisha H. , Mishra Pashupati P. , Raitoharju Emma , Marttila Saara , Mononen Nina , Sievänen Harri , Viikari Jorma , Juonala Markus , Laaksonen Marika , Hutri-Kähönen Nina , Kähönen Mika , Raitakari Olli T. , Lehtimäki Terho
Published: March 2021

We analysed whole blood genome-wide expression data to identify gene co-expression modules shared by early traits of osteoporosis and atherosclerosis. Gene expression was profiled for the Young Finns Study participants. Bone mineral density and content were measured as early traits of osteoporosis. Carotid and bulbus intima media thickness were measured as early traits of atherosclerosis. Joint association of the modules, identified with weighted co-expression analysis, with early traits of the diseases was tested with multivariate analysis. Among the six modules significantly correlated with early traits of both the diseases, two had significant (adjusted p-values (p.adj) < 0.05) and another two had suggestively significant (p.adj < 0.25) joint association with the two diseases after adjusting for age, sex, body mass index, smoking habit, alcohol consumption, and physical activity. The three most significant member genes from the significant modules were NOSIP, GXYLT2, and TRIM63 (p.adj ≤ 0.18). Genes in the modules were enriched with biological processes that have separately been found to be involved in either bone metabolism or atherosclerosis. The gene modules and their most significant member genes identified in this study support the osteoporosis-atherosclerosis comorbidity hypothesis and can provide new joint biomarkers for both diseases and their dual prevention.
A prostate-specific membrane antigen (PSMA)-targeted prodrug with a favorable in vivo toxicity profile
Authors: Boinapally Srikanth , Ahn Hye-Hyun , Cheng Bei , Brummet Mary , Nam Hwanhee , Gabrielson Kathleen L. , Banerjee Sangeeta R. , Minn Il , Pomper Martin G.
Published: March 2021

Prostate-specific membrane antigen (PSMA) is a promising target for the treatment of advanced prostate cancer (PC) and various solid tumors. Although PSMA-targeted radiopharmaceutical therapy (RPT) has enabled significant imaging and prostate-specific antigen (PSA) responses, accumulating clinical data are beginning to reveal certain limitations, including a subgroup of non-responders, relapse, radiation-induced toxicity, and the need for specialized facilities for its administration. To date non-radioactive attempts to leverage PSMA to treat PC with antibodies, nanomedicines or cell-based therapies have met with modest success. We developed a non-radioactive prodrug, SBPD-1, composed of a small-molecule PSMA-targeting moiety, a cancer-selective cleavable linker, and the microtubule inhibitor monomethyl auristatin E (MMAE). SBPD-1 demonstrated high binding affinity to PSMA (Ki = 8.84 nM) and selective cytotoxicity to PSMA-expressing PC cell lines (IC50 = 3.90 nM). SBPD-1 demonstrated a significant survival benefit in two murine models of human PC relative to controls. The highest dose tested did not induce toxicity in immunocompetent mice. The high specific targeting ability of SBPD-1 to PSMA-expressing tumors and its favorable toxicity profile warrant its further development.
Biochemical and structural characterization of analogs of MRE11 breast cancer-associated mutant F237C
Authors: Rahman Samiur , Beikzadeh Mahtab , Latham Michael P.
Published: March 2021

The MRE11–RAD50–NBS1 (MRN) protein complex plays a vital role in DNA double strand break sensing, signaling, and repair. Mutation in any component of this complex may lead to disease as disrupting DNA double strand break repair has the potential to cause translocations and loss of genomic information. Here, we have investigated an MRE11 mutation, F237C, identified in a breast cancer tumor. We found that the analogous mutant of Pyrococcus furiosus Mre11 diminishes both the exonuclease and endonuclease activities of Mre11 in vitro. Solution state NMR experiments show that this mutant causes structural changes in the DNA-bound Mre11 for both exo- and endonuclease substrates and causes the protein to become generally more rigid. Moreover, by comparing the NMR data for this cancer-associated mutant with two previously described Mre11 separation-of-nuclease function mutants, a potential allosteric network was detected within Mre11 that connects the active site to regions responsible for recognizing the DNA ends and for dimerization. Together, our data further highlight the dynamics required for Mre11 nuclease function and illuminate the presence of allostery within the enzyme.
Infiltrated thin film structure with hydrogel-mediated precursor ink for durable SOFCs
Authors: Hwang Sangyeon , Choi Mingi , Lee Jongseo , Kang Giho , Kim Seo Ju , Seong Baekhoon , Lee Hyungdong , Lee Wonyoung , Byun Doyoung
Published: March 2021

The hydrogel of biomolecule-assisted metal/organic complex has the superior ability to form a uniform, continuous, and densely integrated structure, which is necessary for fine thin film fabrication. As a representative of nature-originated polymers with abundant reactive side chains, we select the gelatin molecule as an element for weaving the metal cations. Here, we demonstrate the interaction between the metal cation and gelatin molecules, and associate it with coating quality. We investigate the rheological property of gelatin solutions interacting with metal cation from the view of cross-linking and denaturing of gelatin molecules. Also, we quantitatively compare the corresponding interactions by monitoring the absorbance spectrum of the cation. The coated porous structure is systematically investigated from the infiltration of gelatin-mediated Gd0.2Ce0.8O2−δ (GDC) precursor into Sm0.5Sr0.5CoO3−δ (SSC) porous scaffold. By applying the actively interacting gelatin–GDC system, we achieve a thin film of GDC on SSC with excellent uniformity. Compare to the discrete coating from the typical infiltration process, the optimized thin film coated structure shows enhanced performance and stability.
Impact of nutritional index on contrast-associated acute kidney injury and mortality after percutaneous coronary intervention
Authors: Han Miyeun , Lee Hye Won , Lee Han Cheol , Kim Hyo Jin , Seong Eun Young , Song Sang Heon
Published: March 2021

The risk of malnutrition in acute kidney injury and mortality in coronary artery disease patients has not been studied. This study aimed to evaluate whether nutritional status assessed by Onodera’s prognostic nutritional index (PNI) was related to percutaneous coronary intervention (PCI) outcomes. A total of 3731 patients who received PCI between January 2010 and December 2018 were included. The relationship between PNI at the time of PCI and the occurrence of contrast-associated acute kidney injury (AKI) and all-cause death was evaluated using logistic regression and Cox proportional hazards models, respectively. AKI occurred in 271 patients (7.3%). A low PNI was independently associated with an increased risk of AKI on multivariate logistic regression analysis (OR 0.96, 95% CI 0.94–0.98, P = 0.001). During the median follow-up of 4.3 years, Kaplan–Meier analysis showed that patients with AKI/low PNI < 47.8 had a higher death rate. After adjusting for various risk factors, a low PNI was a significant risk factor for mortality (HR 0.98, CI 0.96–0.99, P = 0.003). A low level of PNI was associated with increased mortality, especially in the group aged over 70 years and female sex. PNI was closely associated with acute kidney outcomes and patient mortality after PCI.
TP53 modulates radiotherapy fraction size sensitivity in normal and malignant cells
Authors: Anbalagan Selvakumar , Ström Cecilia , Downs Jessica A. , Jeggo Penny A. , McBay David , Wilkins Anna , Rothkamm Kai , Harrington Kevin J. , Yarnold John R. , Somaiah Navita
Published: March 2021

Recent clinical trials in breast and prostate cancer have established that fewer, larger daily doses (fractions) of radiotherapy are safe and effective, but these do not represent personalised dosing on a patient-by-patient basis. Understanding cell and molecular mechanisms determining fraction size sensitivity is essential to fully exploit this therapeutic variable for patient benefit. The hypothesis under test in this study is that fraction size sensitivity is dependent on the presence of wild-type (WT) p53 and intact non-homologous end-joining (NHEJ). Using single or split-doses of radiation in a range of normal and malignant cells, split-dose recovery was determined using colony-survival assays. Both normal and tumour cells with WT p53 demonstrated significant split-dose recovery, whereas Li-Fraumeni fibroblasts and tumour cells with defective G1/S checkpoint had a large S/G2 component and lost the sparing effect of smaller fractions. There was lack of split-dose recovery in NHEJ-deficient cells and DNA-PKcs inhibitor increased sensitivity to split-doses in glioma cells. Furthermore, siRNA knockdown of p53 in fibroblasts reduced split-dose recovery. In summary, cells defective in p53 are less sensitive to radiotherapy fraction size and lack of split-dose recovery in DNA ligase IV and DNA-PKcs mutant cells suggests the dependence of fraction size sensitivity on intact NHEJ.
Sensitive quantification of carbon monoxide in vivo reveals a protective role of circulating hemoglobin in CO intoxication
Authors: Mao Qiyue , Kawaguchi Akira T. , Mizobata Shun , Motterlini Roberto , Foresti Roberta , Kitagishi Hiroaki
Published: March 2021

Carbon monoxide (CO) is a gaseous molecule known as the silent killer. It is widely believed that an increase in blood carboxyhemoglobin (CO-Hb) is the best biomarker to define CO intoxication, while the fact that CO accumulation in tissues is the most likely direct cause of mortality is less investigated. There is no reliable method other than gas chromatography to accurately determine CO content in tissues. Here we report the properties and usage of hemoCD1, a synthetic supramolecular compound composed of an iron(II)porphyrin and a cyclodextrin dimer, as an accessible reagent for a simple colorimetric assay to quantify CO in biological samples. The assay was validated in various organ tissues collected from rats under normal conditions and after exposure to CO. The kinetic profile of CO in blood and tissues after CO treatment suggested that CO accumulation in tissues is prevented by circulating Hb, revealing a protective role of Hb in CO intoxication. Furthermore, hemoCD1 was used in vivo as a CO removal agent, showing that it acts as an effective adjuvant to O2ventilation to eliminate residual CO accumulated in organs, including the brain. These findings open new therapeutic perspectives to counteract the toxicity associated with CO poisoning.
Structural and functional analysis of LIM domain-dependent recruitment of paxillin to αvβ3 integrin-positive focal adhesions
Authors: Ripamonti Marta , Liaudet Nicolas , Azizi Latifeh , Bouvard Daniel , Hytönen Vesa P. , Wehrle-Haller Bernhard
Published: March 2021

The LIM domain-dependent localization of the adapter protein paxillin to β3 integrin-positive focal adhesions (FAs) is not mechanistically understood. Here, by combining molecular biology, photoactivation and FA-isolation experiments, we demonstrate specific contributions of each LIM domain of paxillin and reveal multiple paxillin interactions in adhesion-complexes. Mutation of β3 integrin at a putative paxillin binding site (β3VE/YA) leads to rapidly inward-sliding FAs, correlating with actin retrograde flow and enhanced paxillin dissociation kinetics. Induced mechanical coupling of paxillin to β3VE/YA integrin arrests the FA-sliding, thereby disclosing an essential structural function of paxillin for the maturation of β3 integrin/talin clusters. Moreover, bimolecular fluorescence complementation unveils the spatial orientation of the paxillin LIM-array, juxtaposing the positive LIM4 to the plasma membrane and the β3 integrin-tail, while in vitro binding assays point to LIM1 and/or LIM2 interaction with talin-head domain. These data provide structural insights into the molecular organization of β3 integrin-FAs.
Highly Efficient Dye-sensitized Solar Cells with Integrated 3D Graphene-based Materials
Authors: Maddah Hisham A. , Jhally Anmole , Berry Vikas , Behura Sanjay K.
Published: March 2021

Dye-sensitized solar cells (DSSCs) have gained a broad interest as an emerging photovoltaic technology with the potential to achieve high power conversion efficiency. Efficient DSSCs demand maximum photon absorption and minimum electron–hole recombination; achieved by designing various photoanode and cathode architectures. Graphene and 3D graphene-based materials (3D GBMs) have been recently explored to be incorporated in DSSCs for photocurrent enhancements via efficient charge carrier transport. The highly porous structure and interconnected pore networks/channels in 3D GBMs provide excellent electrical conductivity, large specific surface area, and high electrocatalytic activity leveraging rapid electron transport in 3D space. 3D GBMs are synthesized through bottom-up strategies including: (i) self-assembly approaches, and/or (ii) template-directed approaches. In this chapter, we describe the potential of 3D GBMs in improving the overall performance of DSSCs. In addition, the use of toxic-free carotenoids/proteins sensitizers has been highlighted for enhanced photoanode visible-light absorption.
The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules
Authors: Zhu Huihui , Hao Pengfei , Shen Qiu , Shen Junju , Li Gaopeng , Zhao Guozheng , Xing Haoyu , Fu Yunlong
Published: March 2021

The electron-rich solvents can effectively regulate the interfacial contacts of electron donors/acceptors and the photochromic properties of naphthalene diimide molecules.
Machine learning for reparameterization of four-site water models: TIP4P-BG and TIP4P-BGT
Authors: Ye Hong-fei , Wang Jian , Zheng Yong-gang , Zhang Hong-wu , Chen Zhen
Published: March 2021

Two high-precision water models are established based on the combination of a back-propagation neural network and genetic algorithm.
Positive effects of a halloysite-supported Cu/Co catalyst fabricated by a urea-driven deposition precipitation method on the CO-SCR reaction and SO2poisoning
Authors: Li Wei-Jing , Tsai Shu , Wey Ming-Yen
Published: March 2021

Cu/Co catalysts were prepared on halloysite nanotube supports by a urea-driven deposition–precipitation method for CO oxidation and the selective catalytic reduction of NO (CO-SCR).
Liquid crystalline behavior and photoluminescence of lanthanide decanoate nanoparticles synthesized by microwave radiation
Authors: Davis-Wheeler Chin Clare , Lee Harold O. , Griego James J. M. , Treadwell LaRico J.
Published: March 2021

Luminescent lanthanide decanoate nanoparticles (LnC10 NPs; Ln = Pr, Nd, Sm, Eu, Gd, Er) with spherical morphology (<100 nm) have been synthesized via a facile microwave (MWV) method using Ln(NO3)3·xH2O, ethanol/water, and decanoic acid.
Effect of lotus seedpod oligomeric procyanidins on AGEs formation in simulated gastrointestinal tract and cytotoxicity in Caco-2 cells
Authors: Wu Qian , Zhao Kuoquan , Chen Yuanyuan , Ouyang Yu , Feng Yingna , Li Shuyi , Zhang Liang , Feng Nianjie
Published: March 2021

This study explored the effects of lotus seedpod oligomeric procyanidins (LSOPC) and their main monomer catechin (CC) on the formation of advanced glycation end products (AGEs) and Caco-2 cytotoxicity during gastrointestinal digestion.
Similar distribution of orally administered eicosapentaenoic acid and M2 macrophage marker in the hypoperfusion-induced abdominal aortic aneurysm wall
Authors: Fujishima Rena , Kugo Hirona , Yanagimoto Kenichi , Enomoto Hirofumi , Moriyama Tatsuya , Zaima Nobuhiro
Published: March 2021

EPA-containing PC was characteristically distributed in the AAA wall, and the positive area for the M2 macrophage marker was similar to the distribution of EPA-containing PC.
Effects of three different mannans on obesity and gut microbiota in high-fat diet-fed C57BL/6J mice
Authors: Song Yajian , Shen Huitao , Liu Tingting , Pan Bingju , De Alwis Sanduni , Zhang Wanyi , Luo Xuegang , Li Zhongyuan , Wang Nan , Ma Wenjian , Zhang Tongcun
Published: March 2021

Mannans with different structures and supplement doses had varied effects on obesity, obesity-related metabolism disorders and gut microbiota in high-fat diet-fed mice.
Experimental validation of high electrical conductivity in Ni-rich LaNi1−xFexO3solid solutions (x≤ 0.4) in high-temperature oxidizing atmospheres
Authors: Adachi Yoshinobu , Hatada Naoyuki , Kato Masaki , Hirota Ken , Uda Tetsuya
Published: March 2021

Accurate electrical conductivity measurements of LaNi1−xFexO3using fully dense polycrystalline samples revealed that LaNiO3(x= 0) has the highest electrical conductivity among precious-metal-free oxides in high-temperature oxidizing atmospheres.
A coumarin Schiff base and its Ag(i) and Cu(ii) complexes: synthesis, characterization, DFT calculations and biological applications
Authors: Abdel-Kader Nora S. , Moustafa Hussein , El-Ansary Aida L. , Sherif Omaima E. , Farghaly Aya M.
Published: March 2021

Synthesis, characterization and DFT calculations of coumarin Schiff base and its complexes.
In situ investigation of temperature induced agglomeration in non-polar magnetic nanoparticle dispersions by small angle X-ray scattering
Authors: Appel Christian , Kuttich Björn , Kraus Tobias , Stühn Bernd
Published: March 2021

Non-polar magnetic nanoparticles agglomerate upon cooling. The agglomeration is driven by either directed magnetic dipole interactions or isotropic van der Waals interactions depending on the size of the nanoparticle.
Screening of hydrogen bonding interactions by a single layer graphene
Authors: Gaire Babu , Singla Saranshu , Dhinojwala Ali
Published: March 2021

A single layer of graphene when transferred to a solid substrate has the ability to screen or transmit interactions from the underlying substrate, which has direct consequences in applications of this 2D material to flexible electronics and sensors.
Synthetic approaches for copolymers containing nucleic acids and analogues: challenges and opportunities
Authors: Lu Hao , Cai Jiansong , Zhang Ke
Published: March 2021

Deep integration of nucleic acids with synthetic polymers are rapidly becoming the basis of many useful technologies.
Ionic liquids and deep eutectic solvents for the recovery of phenolic compounds: effect of ionic liquids structure and process parameters
Authors: Khan Amir Sada , Ibrahim Taleb H. , Jabbar Nabil Abdel , Khamis Mustafa I. , Nancarrow Paul , Mjalli Farouq Sabri
Published: March 2021

Extraction of phenol from aqueous phase to ionic liquid phase.
On the underestimated influence of synthetic conditions in solid ionic conductors
Authors: Banik Ananya , Famprikis Theodosios , Ghidiu Michael , Ohno Saneyuki , Kraft Marvin A. , Zeier Wolfgang G.
Published: March 2021

Influence of synthesis and processing on the nature of ultimate product and the ionic transport properties of superionic conductors.
A reusable magnetic nanocatalyst for bio-fuel additives: the ultrasound-assisted synthesis of solketal
Authors: Rajkumari Kalyani , Changmai Bishwajit , Meher Ananta Kumar , Vanlalveni Chhangte , Sudarsanam Putla , Wheatley Andrew E. H. , Rokhum Samuel Lalthazuala
Published: March 2021

We report an efficient ultrasound-assisted room temperature synthesis of solketal by acetalization of glycerol with acetone.
Quantitative vibrational spectroscopy on liquid mixtures: concentration units matter
Authors: van Manen Henk-Jan , Gerretzen Jan , Smout Martijn , Postma Geert , Jansen Jeroen J.
Published: March 2021

Quantitative vibrational spectroscopy on liquid mixtures is best performed using volume-based concentration units.
Inspecting the nonbonding and antibonding orbitals in a surface-supported metal–organic framework
Authors: Liu Bing , Zhang Shengjie , Miao Guangyao , Guo Jiandong , Meng Sheng , Wang Weihua
Published: March 2021

By using low-temperature scanning tunnelling microscopy, we have revealed the spatial distribution and energy separation of the nonbonding and antibonding orbitals associated with individual metal atoms in a surface-supported metal–organic framework.
Solubility improvement of curcumin with amino acids
Authors: Gunnam Anilkumar , Nangia Ashwini K.
Published: March 2021

Eutectic, co-amorphous, cocrystal, and physical mixtures of curcumin with basic amino acids are prepared and characterized by PXRD, DSC, NMR, FT-IR, and SEM; solubility and dissolution improvement achieved in 40% ethanol–water system.
Determining electron–nucleus distances and Fermi contact couplings from ENDOR spectra
Authors: Pribitzer Stephan , Mannikko Donald , Stoll Stefan
Published: March 2021

ENDOR spectra are analyzed using a non-parametric approach that yields multidimensional distributions of hyperfine coupling parameters. This provides insight into the electronic and geometric structure of spin centers.
Excited state dynamics of BODIPY-based acceptor–donor–acceptor systems: a combined experimental and computational study
Authors: Wei Zimu , Sharma Sushil , Philip Abbey M. , Sengupta Sanchita , Grozema Ferdinand C.
Published: March 2021

Donor-bridge-acceptor systems based on boron dipyrromethene (BODIPY) are attractive candidates for bio-imagining and sensing applications because of their sensitivity to temperature, micro-viscosity and solvent polarity.
A significant enhancement of sodium ion conductivity in phosphate glasses by addition of WO3 and MoO3: the effect of mixed conventional–conditional glass-forming oxides
Authors: Renka Sanja , Pavić Luka , Tricot Grégory , Mošner Petr , Koudelka Ladislav , Moguš-Milanković Andrea , Šantić Ana
Published: March 2021

A strong, positive effect of exchanging the conventional glass-forming oxide (P2O5) by the conditional glass-forming oxides (WO3 and MoO3) on sodium ion transport in glasses.
Potassium and sodium ion complexes with a partial peptide of the selectivity filter in K+ channels studied by cold ion trap infrared spectroscopy: the effect of hydration
Authors: Negoro Takumi , Hirata Keisuke , Lisy James M. , Ishiuchi Shun-ichi , Fujii Masaaki
Published: March 2021

Cryogenic infrared spectra with quantum chemical calculations have revealed significant structural differences between K+ and Na+, bound to a partial peptide of the selectivity filter of a K+ channel following hydration by a single water molecule.
Correction: Analysis and visualization of energy densities. I. Insights from real-time time-dependent density functional theory simulations
Authors: Yang Junjie , Pei Zheng , Deng Jingheng , Mao Yuezhi , Wu Qin , Yang Zhibo , Wang Bin , Aikens Christine M. , Liang Wanzhen , Shao Yihan
Published: March 2021

Correction for ‘Analysis and visualization of energy densities. I. Insights from real-time time-dependent density functional theory simulations’ by Junjie Yang et al., Phys. Chem. Chem. Phys., 2020, 22, 26838–26851, DOI: 10.1039/d0cp04206d.
Preparation of laccase mimicking nanozymes and their catalytic oxidation of phenolic pollutants
Authors: Xu Xiaojian , Wang Jinghui , Huang Renliang , Qi Wei , Su Rongxin , He Zhimin
Published: March 2021

The construction of a nanozyme that mimics a natural enzyme is a promising strategy to obtain a highly stable catalyst.
Pt1–O4 as active sites boosting CO oxidation via a non-classical Mars–van Krevelen mechanism
Authors: Lou Yang , Zheng Yongping , Guo Wenyi , Liu Jingyue
Published: March 2021

A new strategy to increase the total catalytic activity of SACs with low-loading noble metal for practical applications has been developed via fabricating super active SACs.
Co2(CO)8 as an efficient catalyst for the synthesis of functionalized polymethylhydrosiloxane oils and unconventional cross-linked materials
Authors: Jakoobi Martin , Dardun Vincent , Camp Clément , Thieuleux Chloé
Published: March 2021

Co2(CO)8 was found to be an effective and structurally simple catalyst for the functionalization of polymethylhydrosiloxane into functional silicone fluids using terminal alkenes and into cross-linked silicone materials using unconventional tethers.
Interfacial modification of Co(OH)2/Co3O4 nanosheet heterostructure arrays for the efficient oxygen evolution reaction
Authors: Zheng Lekai , Hu Lina , Hu Yongchuan , Liu Fang , Liu Zhiming , Xue Yanming , Zhang Jun , Liu Hui , Tang Chengchun
Published: March 2021

The development of efficient, stable and low-cost oxygen evolution reaction (OER) catalysts in anodes is essential for the production of hydrogen resources by electrolyzing water.
Drugging the undruggable: a computational chemist's view of KRASG12C
Authors: Bodnarchuk Michael S. , Cassar Doyle J. , Kettle Jason G. , Robb Graeme , Ward Richard A.
Published: March 2021

Starting from a literature KRASG12C inhibitor, in this article we show how computational chemistry can help guide the process to a highly optimised tetracyclic series which demonstrates strong tumour regression.
A comparative study of tough hydrogen bonding dissipating hydrogels made with different network structures
Authors: Narasimhan Badri Narayanan , Deijs Gerrit Sjoerd , Manuguri Sesha , Ting Matthew Sheng Hao , Williams M. A. K. , Malmström Jenny
Published: March 2021

Dissipating hydrogels made with poly(tannic acid) exhibit superior and stable mechanical properties suitable for load bearing and cell culture applications.
Structural dependence of electrosynthesized cobalt phosphide/black phosphorus pre-catalyst for oxygen evolution in alkaline media
Authors: Xiao He , Du Xiaoling , Zhao Man , Li Ya , Hu Tianjun , Wu Haishun , Jia Jianfeng , Yang Nianjun
Published: March 2021

Cobalt phosphide/black phosphorus heterojunction is electrosynthesized using a bulky black phosphorous cathode and a cobalt anode. It exhibits superior catalytic activity for oxygen evolution in alkaline media.
Selective sensing of adenosine monophosphate (AMP) over adenosine diphosphate (ADP), adenosine triphosphate (ATP), and inorganic phosphates with zinc(ii)-dipicolylamine-containing gold nanoparticles
Authors: Reinke Lena , Koch Marcus , Müller-Renno Christine , Kubik Stefan
Published: March 2021

Mixed monolayer-protected gold nanoparticles with surface-bound zinc(ii) dipicolylamine units allow the selective detection of adenosine monophosphate in an aqueous solution.
Fibrous mesoporous polymer monoliths: macromolecular design and enhanced photocatalytic degradation of aromatic dyes
Authors: Chae Ji Ae , Jeong Songah , Kim Hea Ji , Tojo Tomohiro , Oh Yuree , Chi Won Seok , Yoon Hyeonseok , Kim Hyungwoo
Published: March 2021

A bottom-up design provides polymer monoliths comprising two monomers that form mesoporous, compressible, random fiber networks, as in marine sponges.
An insight into the role of side chains in the microstructure and carrier mobility of high-performance conjugated polymers
Authors: Pan Yuchai , Huang Jianyao , Gao Dong , Chen Zhihui , Zhang Weifeng , Yu Gui
Published: March 2021

The effect of linear-chain interdigitation on device performance was studied in detail by both experimental and theoretical methods.
AIE-active 9,10-azaboraphenanthrene-containing viologens for reversible electrochromic and electrofluorochromic applications
Authors: Yan Ni , Zhang Weidong , Li Guoping , Zhang Sikun , Yang Xiaodong , Zhou Kun , Pei Dandan , Zhao Zujin , He Gang
Published: March 2021

A series of novel AIE-active 9,10-azaboraphenanthrene-containing viologens (BNPV2+) for electrochromism, electrofluorochromism and reversible data encryption system is reported.
Inorganic process for wet silica-doping of calcium phosphate
Authors: Sugiura Yuki , Niitsu Kodai , Saito Yasuko , Endo Takashi , Horie Masanori
Published: March 2021

We introduced a one-pot synthesis method for silica doping of calcium phosphate. Silica easily incorporated into OCP interlayer optimizing Na2SiO3 concentrations.