bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computationally assisted design of molecularly imprinted polymers for the detection of estrone
Authors: Liu Jin , Cai Xuhong , Liu Junbo , Liang Dadong , Chen Kaiyin , tang shanshan , Xu Bao 
Published: February 2022

Abstract
Computer simulations are widely used for the selection of conditions for the synthesis of molecularly imprinted polymers and can rapidly reduce the experimental cycle time and save labor and materials. Here, estrone molecularly imprinted polymers (E1-MIPs) were designed at the M062X/6-311+G(d,p) level with itaconic acid (IA) as the functional monomer. The imprinted molar ratio between E1 and IA was optimized, cross-linkers and solvents were screened, and the nature of interactions between E1 and IA was explored. The simulated results showed that pentaerythritol triacrylate was the best cross-linker and methylbenzene was the best solvent. Meanwhile, when the imprinted molar ratio between E1 and IA was 1:4, the E1-IA complex owned the largest amount of hydrogen bonds, the lowest binding energy, and the strongest stability. The bonding situation of the E1-IA complex was studied using the atoms in molecules analysis. Finally, the study of E1 selectivity using quartz crystal microbalance sensors verified the correctness of theoretical predictions. The computer simulations and experimental studies could provide theoretical guidance for the selection of imprinted molar ratios, cross-linkers, and solvents to synthesize of E1-MIPs. It also could provide important references and directions for the accurate and rapid detection of E1 in water bodies.
Hindered trench migration due to slab steepening controls the formation of the Central Andes
Authors: Pons Michaël , Sobolev Stephan , Liu Sibiao , Neuharth Derek 
Published: February 2022

Abstract
The formation of the Central Andes dates back to ~ 50 Ma, but its most pronounced phase, including the growth of the Altiplano-Puna Plateau and pulsatile tectonic shortening phases, occurred within the last 25 Ma. The reason for this evolution remains unexplained. Using geodynamic numerical modeling we infer that the primary cause of the pulses of tectonic shortening and growth of Central Andes is the changing geometry of the subducted Nazca plate, and particularly the steepening of the mid-mantle slab segment which results in a slowing down of the trench retreat and subsequent shortening of the advancing South America plate. This steepening first happens after the end of the flat slab episode at ~ 25 Ma, and later during the buckling and stagnation of the slab in the mantle transition zone. The Intensity of the shortening events is enhanced by the processes that mechanically weaken the lithosphere of the South America plate, which were suggested in previous studies. These processes include delamination of the mantle lithosphere and weakening of the foreland sediments. Our new modeling results are consistent with the timing and amplitude of the deformation from geological data in the Central Andes at the Altiplano latitude.
Effects of cognitive behavior therapy on patients with chronic whiplash-associated disorders: a systematic review and meta-analysis
Authors: Kondo Yu , Miki Takahiro , Kurakata Hiroshi , Takebayashi Tsuneo , Takasaki Hiroshi 
Published: February 2022

Abstract
Background: To determine the effectiveness of cognitive behavioral therapy (CBT) alone and a combination of physical interventions and CBT on pain, disability, quality of life, and psychological parameters in patients with chronic whiplash-associated disorders (WADs). Methods: Several databases were systematically searched for randomized controlled trials (RCTs). Pooled effects were analyzed as standardized mean differences (SMD) and 95% confidence intervals (CI). We assessed the quality of the evidence using the Grading of Recommendations, Assessment, Development, and Evaluation approach.Results: In total, 2,287 RCTs were found; among them, eight were included. Two RCTs, we found low evidence that CBT was better than the wait-and-see control group in improving disability (SMD, −0.61; 95% CI, −1.21 to −0.01) and psychological status, such as fear of physical activity (SMD, −1.04; 95% CI, −1.67 to −0.41), in the short-term. In addition, two RCTs, we found moderate evidence that CBT combined with physical interventions was better than what was advised in improving disability (SMD, −0.29; 95% CI, −0.53 to −0.06) in the long-term. Conclusion: The study found moderately favorable evidence of the combined effect of physical interventions and CBT against advice alone in long-term disability.
Prehospital Diagnostic Algorithm for Acute Coronary Syndrome Using Machine Learning: A Prospective Observational Study
Authors: Takeda Masahiko , Oami Takehiko , Hayashi Yosuke , Shimada Tadanaga , Hattori Noriyuki , Tateishi Kazuya , Miura Rie E. , Yamao Yasuo , Abe Ryuzo , Kobayashi Yoshio , Nakada Taka-aki 
Published: February 2022

Abstract
Background
Rapid and precise prehospital recognition of acute coronary syndrome (ACS) is key to improving clinical outcomes. We tested the hypothesis that the machine learning-based prehospital algorithm shows a high predictive power for predicting ACS.
Methods
We conducted a multicenter observational prospective study that included 10 participating facilities in an urban area of Japan. The data from consecutive adult patients, identified by emergency medical service (EMS) personnel with suspected ACS, were analyzed. The primary outcomes were binary classification models for ACS prediction based on eXtreme Gradient Boosting (XGBoost). Secondary outcomes were classification models for subcategories of ACS, including acute myocardial infarction (AMI) and ST-segment elevation myocardial infarction (STEMI). We evaluated the model performance based on the area under the receiver operating curve (AUC).
Results
Of the 555 enrolled patients, 388 (70%) were randomly assigned to a training cohort, and 167 (30%) were placed in a test cohort. The XGBoost model for ACS using 43 features performed well (AUC 0.879 [95% CI 0.815–0.935]) in the test cohort. We repeated the analysis with a limited number of selected features, and the performance of the XGBoost model using 17 features remained high (AUC 0.883 [95% CI 0.820–0.939]) in the test cohort. The XGBoost model for ACS using 17 features had a higher AUC than the other four common prediction models: logistic regression, random forest, a linear support vector machine (SVM), and a radial basis function (RBF) kernel SVM. The XGBoost algorithm for prediction of AMI and STEMI using the same 17 features also resulted in high AUC scores of 0.857 [95% CI 0.788–0.919] and 0.871 [95% CI 0.819–0.925] in the test cohort, respectively.
Conclusions
We found that the machine learning-based prehospital algorithms showed a high predictive power for predicting ACS.
LIMK1: A Promising Prognostic and Immune Infiltration Indicator in Colorectal Cancer
Authors: Liu Xin , Song Qiang , Wang Daohan , Liu Yubiao , Zhang Zhixiang , Fu Weihua 
Published: February 2022

Abstract
Background
Studies have shown that LIMK1 is upregulated in a variety of tumors and may be a potential target for detection. In this study, we analyzed the expression difference of LIMK1 and its relationship with tumor clinicopathological characteristics and tumor microenvironment in colorectal cancer combining public databases and experimental validation.
Methods
The transcriptomic data of LIMK1 with colorectal cancer were downloaded from The Cancer Genome Atlas (TCGA) database and GEO databases to analyze the expression of LIMK1 mRNA and its correlation with patient prognosis. The protein expression of LIMK1 was obtained from Human Protein Atlas. We used receiver operating characteristic (ROC) curves and Kaplan-Meier curves to evaluate the expression characteristics and prognostic differences of LIMK1 in colorectal cancer. STRING was used to analyze the co-expression of LIMK1. The tumor immune estimation resource (TIMER) was used to determine the correlation between LIMK1 expression and immune infiltrates. We verified LIMK1 expression at the level of clinical samples collected from the Tianjin Medical University General Hospital and cell lines using qRT-PCR.
Results
LIMK1 is differentially expressed in different cancer types. The mRNA and protein expression of LIMK1 were upregulated in tumor tissues compared with adjacent tissues in colorectal cancer. The expression level of LIMK1 was positively correlated with the clinicopathological features of colorectal cancer, disease-specific survival (DSS) events (P = 0.002), and lymphatic invasion (P = 0.004). The AUC value of LIMK1 in colorectal cancer was 0.937 (95% confidence interval [CI]: 0.918–0.957) through ROC analysis. Under the best cut-off value (4.009), the sensitivity and specificity were 98% and 81.9%, respectively. LIMK1 expression is mainly related to CD4+ T cells, macrophages, and dendritic cells in the immune microenvironment of CRC.
Conclusions
The high expression of LIMK1 in colorectal cancer is closely related to the clinical features and prognosis of patients. LIMK1 is a promising prognostic indicator that may regulate tumor progression by affecting tumor immune microenvironment in colorectal cancer.
Third-generation cephalosporin resistant gram-negative bacteraemia in patients with haematological malignancy and rationale for surveillance- culture-guided empirical therapy; results from an 11-year multi-centre retrospective study
Authors: Court Jara R. de la , Woudt Sjoukje H. S. , Schoffelen Annelot F. , Heijmans Jarom , de Jonge Nick A. , Bruggen Tjomme van der , Bomers Marije K. , Lambregts Merel M. C. , Schade Rogier P. , Sigaloff Kim C.E. 
Published: February 2022

Abstract
Objectives
Among patients with haematological malignancy, bacteraemia is a common complication during chemotherapy-induced neutropenia. Resistance of gram-negative pathogens to third-generation cephalosporins is increasing. We aimed to provide rationale for surveillance-culture-guided (SCG) empirical therapy for this population.
Methods
Using 11 years of data (2008–2018) from the Dutch national antimicrobial resistance surveillance system, we assessed the prevalence of third-generation cephalosporin resistant Gram-negative bacteria (3GCR-GNB) in episodes of bacteraemia, and the proportion of 3GCR-GNB bacteraemia that was preceded by 3GCR-GNB colonization (identified using surveillance cultures) in the year before.
Results
We included 3,887 patients, representing 4,142 episodes of bacteraemia. GNB were identified in 715/4,142 (17.3%), of which 221 (30.9%) were 3GCR-GNB. In (106/139) 76.2% of patients with a 3GCR-GNB bacteraemia and available GNB surveillance cultures in the preceding year, 3GCR-GNB colonization had been previously identified.
Conclusions
This multi-centre study shows that in patients with haematological malignancy, the majority of 3GCR-GNB bacteraemia is preceded by 3GCR-GNB colonization. To restrict empirical carbapenem use, surveillance-culture-guided empirical therapy is a viable strategy, against the background of high 3GCR rates.
A diagnostic SNP marker to discriminate the European brook lamprey (Lampetra planeri), river lamprey (L. fluviatilis) and their hybrids
Authors: souissi ahmed , Besnard Anne-Laure , Evanno Guillaume 
Published: February 2022

Abstract
I. Background: The European river lamprey Lampetra fluviatilis and the brook lamprey L. planeri are two closely related species that are also considered as partially reproductively isolated ecotypes. At the larval stage, they cannot be morphologically distinguished. We aimed at developing a molecular tool to identify early life stages of L. fluviatilis and L. planeri.II. Methods and Results: We first identified Single Nucleotide Polymorphism (SNP) markers with distinct alleles between L. fluviatilis and L. planeri based on RADseq data from 186 individuals collected in France. Then, we developed a quantitative PCR protocol to genotype a species-specific SNP, which was tested on 287 samples including larvae and adults from both species and 17 sites from Western Europe. Results were consistent with morphological identification in all cases except for samples from the Rhône drainage and the Loch Lomond in Scotland.III. Conclusions:This marker allows the identification of larval stages of L. fluviatilis, L. planeri as well as hybrids. The two cases where the marker was not diagnostic might be explained by an isolated and distinct L. planeri lineage in the Rhône drainage, and high levels of admixture among L. fluviatilis, L. planeri and the lake-parasitic form in Loch Lomond.
CD86/Programmed Death-Ligand-1 as a Predictor Ratio for Response to Directly Acting Antiviral Therapy of Chronic Hepatitis in Egyptian Patients
Authors: Attallah AM Attallah , Omran MM Omran , Askary A El Askary El , Omran Omran D 
Published: February 2022

Abstract
Objectives:Predictors of direct-acting antivirals response of HCV serve as assessment methods and help to treat doctors identify patients who are likely or unlikely to SVR. Methods:Egyptian chronic hepatitis C patients (N=300) were divided into 2 groups with 150 patients each. Group 1: received triple therapy (Sofosbuvir, Pegylated interferon, and ribavirin) for 12 weeks. Group 2: received dual therapy (Sofosbuvir and ribavirin) for 24 weeks. For all patients, routine blood markers, extracellular matrix markers, and dendritic cell markers were done. Hyaluronic acid, Collagen IV, Procollagen III peptide, laminin, platelet-derived growth factor and tissue inhibitor of metalloproteinase-1, were all performed using ELISA. Dendritic cells Co-stimulatory markers (CD40, CD83, and CD86), and co-inhibitory marker (PD-L1) were evaluated by real-time PCR.Results: SVR is associated with a decrease in the extracellular matrix markers and dendritic cell markers. AST/ALT (p= 0.003), Fibroscan (p= 0.024), CDs co-stimulatory markers and PD-L1 (p= 0.05-p< 0.0001) were differentiated between responders and non-responders. Using multivariate analysis exhibited that the decrease in PDL1 levels was significant (p=0.012) and increase significant (p= 0.024) in CD86 associated with SVR. CD 86/ PDL-1 ratio had an AUC of 0.82 for prediction SVR. Conclusions:Baseline CD 86/ PDL-1 ratio was the only marker predicting SVR.
Transient increase in atherosclerotic plaque macrophage content following Streptococcus pneumoniae pneumonia in ApoE-deficient mice
Authors: Bazaz Rohit , Marriott Helen , Wright Carl , Chamberlain Janet , West Laura , Gelsthorpe Catherine , Heath Paul , Maleki-Dizaji Afsaneh , Francis Sheila , Dockrell David 
Published: February 2022

Abstract
Background
Despite epidemiological associations between community acquired pneumonia (CAP) and myocardial infarction, mechanisms that modify cardiovascular disease during CAP are not well defined. In particular, largely due to a lack of relevant experimental models, the effect of pneumonia on atherosclerotic plaques is unclear. We describe the development of a murine model of the commonest cause of CAP, Streptococcus pneumoniae pneumonia, on a background of established atherosclerosis. We go on to use our model to investigate the effects of pneumococcal pneumonia on atherosclerosis.
Methods
C57BL/6J and ApoE−/− mice were fed a high fat diet to promote atherosclerotic plaque formation. Mice were then infected with a range of S. pneumoniae serotypes (1, 4 or 14) with the aim of establishing a model to study atherosclerotic plaque evolution after pneumonia and bacteraemia. Laser capture microdissection of plaque macrophages enabled transcriptomic analysis.
Results
Intratracheal instillation of S. pneumoniae in mice fed a cholate containing diet resulted in low survival rates following infection, confirming increased susceptibility to severe infection. Optimization steps resulted in a final model of male ApoE−/− mice fed a Western diet then infected by intranasal instillation of serotype 4 (TIGR4) S. pneumoniae followed by antibiotic administration. This protocol resulted in high rates of bacteremia (88.9%) and survival (88.5%). Pneumonia resulted in increased aortic sinus plaque macrophage content 2 weeks post pneumonia but not at 8 weeks, and no difference in plaque burden or other plaque vulnerability markers were found at either time point. Microarray and qPCR analysis of plaque macrophages identified downregulation of two E3 ubiquitin ligases, Huwe1 and Itch, following pneumonia. Treatment with atorvastatin failed to alter plaque macrophage content or other plaque features.
Conclusions
Without antibiotics, ApoE−/− mice fed a high fat diet were highly susceptible to mortality following S. pneumoniae infection. The major infection associated change in plaque morphology was an early increase in plaque macrophages. Our results also hint at a role for the ubiquitin proteasome system in the response to pneumococcal infection in the plaque microenvironment.
Dual-Targeted Near-Infrared Photoimmunotherapy for Esophageal Cancer and Cancer-Associated Fibroblasts in the Tumor Microenvironment
Authors: Sato Hiroaki , Noma Kazuhiro , Ohara Toshiaki , Kawasaki Kento , Akai Masaaki , Kobayashi Teruki , Nishiwaki Noriyuki , Narusaka Toru , Komoto Satoshi , Kashima Hajime , Katsura Yuki , Kato Takuya , Kikuchi Satoru , Tazawa Hiroshi , Kagawa Shunsuke , Shirakawa Yasuhiro , Kobayashi Hisataka , Fujiwara Toshiyoshi 
Published: February 2022

Abstract
Objective
Cancer-associated fibroblasts (CAFs) play a significant role in tumor progression within the tumor microenvironment. Previously, we have used near-infrared photoimmunotherapy (NIR-PIT), a next-generation cancer cell-targeted phototherapy, to establish CAF-targeted NIR-PIT. In this study, we investigated whether dual-targeted NIR-PIT targeting cancer cells and CAFs could be a therapeutic strategy.
Methods
A total of 132 cases of esophageal cancer were analyzed for epidermal growth factor receptor (EGFR), human epidermal growth factor 2 (HER2), and fibroblast activation protein (FAP) expression using immunohistochemistry. Human esophageal cancer cells and CAFs were co-cultured and treated with single- or dual-targeted NIR-PIT in vitro. These cells were co-inoculated into BALB/c-nu/nu mice and the tumors were treated with single-targeted NIR-PIT or dual-targeted NIR-PIT in vivo.
Results
Survival analysis showed FAP- or EGFR-high patients had worse survival than patients with low expression of FAP or EGFR (log-rank, p < 0.001 and p = 0.074, respectively), while no difference was observed in HER2 status. In vitro, dual (EGFR/FAP)-targeted NIR-PIT induced specific therapeutic effects in cancer cells and CAFs along with suppressing tumor growth in vivo, whereas single-targeted NIR-PIT did not show any significance. Moreover, these experiments demonstrated that dual-targeted NIR-PIT could treat cancer cells and CAFs simultaneously with a single NIR light irradiation.
Conclusion
We demonstrated the relationship between EGFP/FAP expression and prognosis of patients with esophageal cancer and the stronger therapeutic effect of dual-targeted NIR-PIT than single-targeted NIR-PIT in experimental models. Thus, dual-target NIR-PIT might be a promising therapeutic strategy for cancer treatment.
The microbiota knows: handling-stress and diet transform the microbial landscape in the gut content of rainbow trout in RAS
Authors: Suhr Marvin , Fichtner-Grabowski Finn-Thorbjörn , Seibel Henrike , Bang Corinna , Franke Andre , Schulz Carsten , Hornburg Stéphanie Céline 
Published: February 2022

Abstract
Background: The aim of the present study was to characterize the effects of handling stress on the microbiome in the intestinal gut contents of rainbow trout (Oncorhynchus mykiss) from two different breeding lines fed with plant-based diets. Two experimental diets were provided for 59 days to all female trout and half of the fish were shooed with a fishing net twice per day to induce long-term stress (groups 0 and 1) in a fully recirculating aquaculture system (RAS). Experimental diets were formulated according to commercial trout diets differing in fish meal (35 % diet F, 7 % diet V) and plant-based proteins (47% diet F, 73% diet V). Results: No differences in performance parameters were found between treatment groups. By using 16S rRNA amplicon sequencing of the hypervariable region V3/V4 we examined the microbial community in the total gut content of fish at the end of the trial. We discovered no significant differences in alpha diversity induced by one of the two factors within both trout lines. However, the microbial composition is significantly driven by an interaction of stress and diet in trout line A. Otherwise, in trout line B the main factor was stress. The communities of both breeding lines were predominantly colonized with bacteria from the phyla Fusobacteriota, Firmicutes, Proteobacteria, Actinobacteriota and Bacteroidota. The most varying and most abundant taxa have been found to be Firmicutes and Fusobacteriota, where at the genus level Cetobacterium and Mycoplasma are key components in terms of adaptation. Conclusion: We conclude, that microbial gut composition is highly influenced by stress which is presupposed by diet formulation and trout origin but constant microbial diversity and performance parameter.
Socioeconomic Disparities in Healthcare Utilization Under Universal Health Coverage: Evidence From Dubai Household Health Survey
Authors: Malaviya Shreena , Bishai David , Soni Meenu Mahak , Suliman El Daw 
Published: February 2022

Abstract
Background
In 2013, Dubai implemented the Insurance System of Advancing Health in Dubai (ISAHD) law which required mandatory health insurance for all residents of Dubai effective in 2016. This study compares the effect of the ISAHD on the utilization and out-of-pocket (OOP) expenditures for low and high socio-economic status sub-groups.
Methods
The study used the 2014 and 2018 Dubai Household Health Survey (DHHS) a representative survey of Dubai stratified as: 1) Nationals; 2) Non-nationals in households; 3) Non-nationals in collective housing; and 4) Non-nationals in labor camps. The probability that each household would have expenditures was calculated, then multiplied by a weighted estimate of the average total OOP expenditure.
Results
Overall Dubai’s health spending rose from 12.8 billion AED (3.4 billion US $) in 2014 to 16.8 billion AED (4.6 billion US $) in 2017. Concurrently, the OOP share in total health spending in Dubai fell from 25% in 2014 to 13% in 2017. From 2014 to 2018, there were increases in the utilization of inpatient, outpatient and discretionary services for all groups except non-nationals living in camps. In 2018, nationals spent a total of 1,064.65 AED, non-nationals in households spent 675.01 AED, collective households spent 82.35 AED, and labor camps spent 100.32 AED out-of-pocket per capita for healthcare expenditures. During and after the implementation of ISAHD, there was a substantial growth in the OOP expenditure per capita for nationals and non-nationals in households due to increased utilization. OOP spending did not rise for the lower-income non-National households.
Conclusion
Dubai has been successful in reducing the household share of OOP expenditures by shifting the financial burden to government and employers. Emiratis and expatriate households increased their health service utilization after ISAHD but blue-collar workers did not. Remaining non-financial barriers to care for Dubai’s blue-collar workers must be identified and addressed.