bluuebunny/crossref_metadata_2025_split huggingface dataset:
Heterocomplexes between the Atypical Chemokine MIF and the CXC-Motif Chemokine CXCL4L1 Regulate Inflammation and Thrombus Formation
Authors: Brandhofer Markus , Hoffmann Adrian , Blanchet Xavier , Siminkovitch Elena , Rohlfing Anne-Katrin , Bounkari Omar El , Nestele Jeremy A. , Bild Alexander , Kontos Christos , Hille Kathleen , Rohde Vanessa , Fröhlich Adrian , Golemi Jona , Gokce Ozgun , Krammer Christine , Scheiermann Patrick , Tsilimparis Nikolaos , Kempf Wolfgang E. , Maegdefessel Lars , Megens Remco T.A. , Ippel Hans , Koenen Rory R. , Mayo Kevin H. , Gawaz Meinrad , Kapurniotu Aphrodite , Weber Christian , von Hundelshausen Philipp , Bernhagen Jürgen 
Published: February 2022

Abstract
To fulfil its orchestrating function in immune cell trafficking, a network of chemokines and receptors capitalizes on specificity, redundancy, and functional selectivity. The discovery of heteromeric interactions in the chemokine interactome has expanded the complexity within the network. Moreover, some inflammatory mediators, not structurally linked to classical chemokines, bind to chemokine receptors and behave as atypical chemokines (ACKs). We identified macrophage migration inhibitory factor (MIF) as an ACK that binds to the chemo­kine receptors CXCR2 and CXCR4 to promote atherogenic leukocyte recruitment. Here, we hypothesized that chemokine-chemokine interactions extend to ACKs and that MIF may form hetero­complexes with classical chemokines. We tested this hypothesis by an unbiased chemokine protein array. The platelet chemokine CXCL4L1, but not its variant CXCL4 or the CXCR2/CXCR4 ligands CXCL8 or CXCL12, was identified as a candidate interactor. MIF/CXCL4L1 complexation was verified by co-immunoprecipitation, surface plasmon-resonance analysis, and microscale thermo­phoresis, also establishing high-affinity binding. We next determined whether heterocomplex formation modulates inflammatory/atherogenic activities of MIF. Complex formation abrogated MIF-elicited T-cell chemotaxis as assessed in a 3D-matrix-based live cell-imaging set-up. Hetero­complexation also blocked MIF-triggered migration of microglia in cortical cultures in situ . Of note, CXCL4L1 blocked the binding of Alexa-MIF to a soluble surrogate of CXCR4 and co-incubation with CXCL4L1 attenuated MIF responses in HEK293-CXCR4 transfectants, indicating that complex formation interferes with MIF/CXCR4 pathways. As MIF and CXCL4L1 are platelet products, we finally tested their role in platelet activation. Multi-photon microscopy, FLIM-FRET, and proximity-ligation assay visualized heterocomplexes in platelet aggregates and clinical human thrombus sections. Moreover, heterocomplexes inhibited MIF-stimulated throm­bus formation under flow and skewed the lamellipodia phenotype of adhering platelets. Our study establishes a novel molecular interaction, adding to the complexity of the chemokine interactome and chemokine/receptor-network. MIF/CXCL4L1, or more generally, ACK/CXC-motif chemokine heterocomplexes may be target structures to modulate inflammation and thrombosis.
The Accuracy of Bladder Voiding Efficiency to Predict the Severity of Lower Urinary Tract Symptoms in Benign Prostatic Enlargement Patients at Ndola Teaching Hospital, Ndola , Zambia
Authors: Kapesa By Philimon , Bowa Kasonde 
Published: February 2022

Abstract
Background
The management of Benign Prostatic Enlargement (BPE) in low resource settings poses a major challenge in Africa. The objective of the study was to investigate the accuracy of Bladder Voiding Efficiency (BVE) to assess lower Urinary Tract Symptoms (LUTS) among BPE patients in a low resource setting.
Methods
From December 2017 to March 2018, patients with Benign Prostatic Enlargement (BPE) and Lower Urinary Tract Symptoms (LUTS) were recruited into the study. The study was a prospective cross-sectional study. Participants had the International Prostate Symptom Score (IPSS) recorded followed by evaluation of their Bladder Voiding Efficiency (BVE). The BVE was calculated as the ratio of the volume of Urine voided over total volume of Urine in the bladder at the time of the void. The data was analysed to show the Sensitivity and Specificity of BVE in symptomatic LUTS. The Pearson correlation co-efficient between IPSS and BVE was analysed.
Results
The study recruited 94 participants. The age range was 45 to 85 year. The mean age was 68.1 years. The sensitivity of BVE to detect severe LUTS was 97.97%, while the specificity of BVE to detect mild to moderate disease was 97.78%. The correlation coefficient between IPSS and BVE was negatively correlated at 0.89 and this was statistically significant (P < 0.001).
Conclusion
The Bladder Voiding Efficiency (BVE) is a highly sensitive and specific test in our population to detect LUTS. It is well correlated to the International Prostate Severity Score (IPSS) in this study population.
A DFT Investigation of Triarylamine-α-Cyanoacrylic Acid Compounds: Structural, Electronic, And Nonlinear-Optical Properties
Authors: Chen Ziran , Zhang Yuhong , Li Yuan , Yu Wenhao 
Published: February 2022

Abstract
Using density functional theory and finite field method, nonlinear-optical properties of nine triarylamine-α-cyanocinnamic acid molecules was calculated at the theoretical level of M06-2X/6-311++G(d,p) and WB97XD/6-311++G(d,p). Except for (E)-2-cyano-3-(4-(di([1,1'-biphenyl]-4-yl)amino)phenyl)acrylic acid (a) which is D-p-A electronic structure, the remaining eight derivative molecules are all A-p-D-p-A structures. The calculation result showed that the lowest energy transition of the nine triarylamine derivatives molecules was the p–p* electron transition from HOMO to LUMO. Compared with those of the gas phase, the maximum absorption wavelengths of the molecules in ethanol solution exhibited a certain degree of redshift. The introduction of conjugated carbon-carbon double bonds or carbon-carbon triple bonds between the biphenyl structure of molecule a has little effect on the second-order nonlinear-optical properties of the molecules. However, the introduction of carbon-carbon double bonds into the parent molecules improves the third-order nonlinear-optical properties. The introduction of a heterocyclic ring (furan ring or thiophene ring) between the cyano-cinnamic acid group branch and the triarylamine enhances the second-order and third-order nonlinear-optical properties, especially the second-order and third-order polarisability of the b3 and c3 molecules obtained by introducing a thiophene ring; these molecules had the highest polarisability values. The second- and third-order polarizabilities of the b3 molecule are 0.13×105 a.u. and 27.13×105 a.u., respectively, and the second- and third-order polarizabilities of the c3 molecule are 0.14×105 a.u. and 28.10×105 a.u., respectively. This suggests that the b3 and c3 molecules have beneficial second- and third-order nonlinear-optical properties, and can be used as the basis for the design of good second- and third-order nonlinear-optical materials.
Triiodothyronine Regulates the Number and Morphological Development of Supporting Cells of organ of Corti During Critical Periods of Cochlear Development
Authors: Bai Xue , Xu Kai , Chen Sen , Xie Le , Qiu Yue , Sun Yu 
Published: February 2022

Abstract
Thyroid hormones are essential for cochlear development and normal auditory function. In rodents, previous study reports that excessive triiodothyronine (T3) accelerates development of cochlear morphology and cause deafness. However, the mechanism of T3 induced hearing loss and its effect on the remodeling of the organ of Corti (OC) remain unclear. In this study, neonatal mice were given T3 at different time points, and then auditory brainstem responses (ABR) and morphological changes of the OC were analyzed at postnatal day (P) 18. Mice treated with T3 at P0 or P1 showed severe hearing loss with disordered stereocilia of the outer hair cells (OHCs), and impaired function of mechanoelectrical transduction of OHCs. In addition, we found that treatment with T3 at P0 or P1 resulted in overproduction of Deiter-like cells (Deiter’s cell, DC, a supporting cell in OC). These extra cells have phalangeal process structure similar to DC, and coupled with normal DC by gap junctions. Compared with the control group, the transcription levels of Sox2 and notch pathway related genes in the cochlea of T3 group were significantly down-regulated. Furthermore, T3 treatment combined with downregulation of Sox2 not only resulted in overproduction of DCs, but also led to a large number of ectopic outer Pillar cells (OPCs). This can induce a great change of morphology of OC, forming double tunnels of Corti structure. Together, our study provides new evidence for dual roles of T3 in regulating both hair cell and supporting cell development, suggesting that it is possible to increase the reserve of supporting cells.
A machine learning and geostatistical hybrid method to improve spatial prediction accuracy of soil potentially toxic elements
Authors: Molla Abiot , Zhang Weiwei , Zuo Shudi , Ren Yin , Han Jigang 
Published: February 2022

Abstract
Effective environmental management and contamination remediation require accurate spatial variation and prediction of potentially toxic elements (PTEs) in the soil. However, no single method has been developed to predict soil PTEs accurately. This study evaluated the ability of the advanced geostatistical method of empirical Bayesian kriging regression prediction (EBKRP), machine learning algorithms of random forest (RF), and the combination of RF and EBKRP to predict and map soil PTE content. The root mean square error (RMSE), mean absolute percentage error (MAPE), and coefficient of determination (R2) were used to assess model prediction performance. As identified by RF, soil organic carbon, soil organic matter, total (nitrogen, phosphorus, and potassium), slope, and elevation were ranked as significant covariates to improve the prediction accuracy of PTEs in greenspace soil. Results showed that the RF method improved the prediction accuracy over the EBKRP method, and the improvement was from 24-40% for RMSE, 41-210% for R2, and 18-35% for MAPE. However, hybrid methods (RF-EBKRP) increased accuracy by comparing the individually predicted models with 345% and 33% in EBKRP and RF, based on R2, respectively. Moreover, the RF-EBKRP method decreased MAPE by 5.33-18.69% and 0.48-12.33% on average than EBKRP and RF, respectively. In conclusion, in addition to incorporating covariates into the models, combining kriging residuals with the machine learning method (RF-EBKRP) resulted in a promising approach for improving the distribution accuracy and mapping of PTEs in the soil.
Photophysical Behaviour of Novel Quaternary Pyrenoyl Salts and Their Sensitivity Towards Bile Salt Micellization
Authors: Saravanan M. , Dhivakar S. , Mohapatra M. , Rani S. Kutti , Vijayakumaran K. 
Published: February 2022

Abstract
The present work describes the synthesis and characterization of pyrene derivatives, N-(1-Pyrenoylmethyl)pyridinium bromide (PM-PB) and N-(1-Pyrenoylmethyl)-N,N,N-triethylammonium bromide (PM-TAB). Photophysical behavior of these molecules has been studied in various protic and aprotic solvents. Using steady state fluorescence intensity, fluorescence anisotropy and dynamic fluorescence lifetime studies, the sensitivity of these molecules towards the micellization process of bile salts has been monitored. These derivatives have been effectively used in estimating critical micellar concentration (CMC) of bile salt, sodium deoxycholate (NaDC).
Molecular Characterization of Klebsiella Pneumoniae Isolated From Sputum
Authors: Hao Yuqi , Jiang Yong’ang , Ishaq Hafiz Muhammad , Liu Wenke , Liao Wei , Chen Ping , Yang Fan 
Published: February 2022

Abstract
Background: K. pneumoniae is a common opportunistic pathogen responsible in clinical practice and an important pathogen of nosocomial infection. This study aimed to analyze the trend of antimicrobial susceptibility and virulent characteristics of K. pneumoniae isolated from sputum in clinics and to provide data for clinical treatment of K. pneumoniae infection disease. Results: The resistance rates of the 20 K. pneumoniae isolates against 13 antibiotics ranged from 15.0% to 80.0%. The detection rate of ESBLs was up to 55%, and blaSHV were the most prevalent ESBLs genes. Four strains (25.0%) of K. pneumoniae presented HMV phenotype, and 18 strains (90.0%) had the stronger biofilm-forming ability. wzi, wabG, fimH, mrkD were the most prevalent virulence genes. 10 strains were present capsule typing and the higher genetic diversity of colonizing K. pneumoniae in this region. K19 exhibited a strong positive correlation with imipenem resistance, and K1 showed strong correlations with magA. HMV phenotype show significantly negative correlations with multidrug-resistant. Conclusions: The antibiotic resistance of K. pneumoniae isolated from sputum in this hospital was serious, and these strains show the higher genetic diversity.
Local Calibration of a Weak Stiffness On-Machine Measuring Device with a New 3-D Calibrator
Authors: Lin Bin , LI Helin , Sui Tianyi , Huang Tian , Liu Haitao , Yu Fukan , Zhao Pengcheng , Jia Yueting , Zhu Fuan 
Published: February 2022

Abstract
This paper presents a new local calibration method for a weak stiffness on-machine measuring (OMM) device. First, the original volumetric error models’ union is established, and an equivalent dimensionality reduction algorithm is proposed to reduce the model’s dimensionality, thus, the novel equivalent volumetric error models’ union (EVEMU) is derived, which is more suitable for limited calibration data. For better flexibility and efficiency of error measurements, a new 3-D ball array calibrator is proposed, and its local calibration procedures can be executed directly in the 3-D space. Then, the smoothly clipped absolute deviation (SCAD) regularization algorithm with oracle property is introduced to identify equivalent coefficients as well as select the optimal volumetric error sub-model of EVEMU, which can closely represent the real error state of the weak stiffness OMM device. Experiments demonstrated that methods proposed in this paper are effective, and provide new insights for the error compensation of similar devices.
Dehydroepiandrosterone Supplementation and the Impact of Follicular Fluid Metabolome and Cytokinome Profiles in Poor Ovarian Responders
Authors: Viardot-Foucault Veronique , Zhou Jieliang , Bi Dexi , Takinami Yoshihiko , Chan Jerry.K.Y. , Lee Yie Hou 
Published: February 2022

Abstract
Background: Poor ovarian responders (POR) are women undergoing in-vitro fertilization who respond poorly to ovarian stimulation, resulting in the retrieval of lower number of oocytes, and subsequently lower pregnancy rates. The follicular fluid (FF) provides a crucial microenvironment for the proper development of follicles and oocytes through tightly controlled metabolism and cell signaling. Conversely, dysregulated FF metabolism and cytokine production in POR could impart or reflect detrimental effects on oocytes. Androgens such as dehydroepiandrosterone (DHEA) have been proposed to alter the POR follicular microenvironment and induce metabolic changes but its utility in improving pregnancy rates remain uncertain, partially due to the unknown impact DHEA imposes on the FF metabolome and cytokine profiles. Methods: FF samples were collected from 52 POR patients who underwent IVF with DHEA supplementation (DHEA+) and without (DHEA-). The FF samples were split for profiling analyses using untargeted liquid chromatography-tandem mass spectrometry (LC-MS/MS) metabolomics and a large-scale multiplex suspension immunoassay covering 65 cytokines, chemokines and growth factors. Multivariate statistical modelling by partial least squares-discriminant regression (PLSR) analysis was performed for revealing metabolome-scale differences. Further, differential metabolite analysis between the two groups was performed by PLSR β-coefficient regression analysis and Student’s t-test. Results: Untargeted metabolomics identified 118 FF metabolites of diverse chemistries and concentrations which spanned three orders of magnitude. They include metabolic products highly associated with ovarian function – amino acids for regulating pH and osmolarity, lipids such fatty acids and cholesterols for oocyte maturation, and glucocorticoids for ovarian steroidogenesis. The FF metabolomic profiles of DHEA+ and DHEA- groups were notably distinct as classified by multivariate partial least squares regression analysis. Specifically, glycerophosphocholine, linoleic acid, progesterone, and valine were significantly lower in DHEA+ relative to DHEA-. Using the large-scale cytokine profiling assay, we observed significantly lower MCP1, IFNγ, LIF and VEGF-D levels in DHEA+ relative to DHEA. Conclusions: Collectively, our large-scale study characterized a diversity of metabolites and cytokines in the FF of POR individuals and identified several of these compounds associated DHEA supplementation.
Sequential Delivery of a Novel Triple Drug Combination via Crosslinked Alginate/lactoferrin Nanohybrids for Enhanced Breast Cancer Treatment
Authors: Salah Mai , Sallam Marwa A. , Abdelmoneem Mona A. , Teleb Mohamed , Elkhodairy Kadria A. , Bekhit Adnan A. , Khafaga Asmaa F. , Noreldin Ahmed E. , Elzoghby Ahmed O. , Khattab Sherine N. 
Published: February 2022

Abstract
While breast cancer remains a global health concern, the elaboration of rationally designed drug combinations coupled with advanced biocompatible delivery systems offers new promising treatment venues. Herein, we repurposed rosuvastatin (RST) based on its selective tumor apoptotic effect and combined it with the antimetabolite pemetrexed (PMT) and the tumor-sensitizing polyphenol honokiol (HK). This synergistic three-drug combination was incorporated into protein polysaccharide nanohybrids fabricated utilizing sodium alginate (ALG) and lactoferrin (LF), inspired by the stealth property of the former and the cancer cell targeting capability of the latter. ALG was conjugated to PMT and then coupled with LF conjugated to RST, forming core shell nanohybrids into which HK was physically loaded followed by cross linking using genipin. The crosslinked HK-loaded PMT-ALG/LF-RST nanohybrids exhibited fair drug loading of 7.86, 5.24 and 6.11% for RST, PMT and HK, respectively. It demonstrated an 8-fold decrease in the IC50 compared to the free drug combination, in addition to showing enhanced cellular uptake by MCF-7 cells. The in vivo antitumor efficacy in a breast cancer-bearing mouse model confirmed the superiority of the triple cocktail-loaded nanohybrids, as demonstrated by suppression of tumor growth and inhibition of ki-67 and VEGF-1 expression in addition to upregulation of caspase-3 expression. Conclusively, our rationally designed triple drug-loaded protein/polysaccharide nanohybrids offer a promising, biocompatible approach for effective breast tumor suppression.
A Quick But Comprehensive Protocol For Isolation And Short-Term Expansion of Tregs From Peripheral Blood Mononuclear Cells For Treg Therapy In Animal Models And Human In-Vitro Studies
Authors: Mansourabadi Amir Hossein , Noorbakhsh Farshid , Hamidieh Amir Ali , Amirzargar Aliakbar 
Published: February 2022

Abstract
Regulatory T cells (Tregs) are identified via a combination of different extracellular markers, mainly CD4+CD25+CD127dim/-, along with intracellular transcription factor FoxP3 and their main function is suppression followed by termination of pro-inflammatory immune responses. Tres represent approximately 1–4% of PBMCs. Hence, therapeutic use of Tregs requires access to an appropriate number of these cells with stable inhibitory potential in the culture medium as well as controlled plasticity in inflammatory conditions. However, based on past studies and experiences, Treg expansion has always faced different challenges in cell biology studies. As the conventional protocols require a complicated and long period of in-vitro expansion of Treg numbers.In this article, we described a feasible, quick, and simple protocol for isolation and expansion of Tregs from PBMCs for in-vitro studies. We also evaluated their suppressive effects and their plasticity for proving their functions although, their conversion to Th17 cells under pro-inflammatory conditions remains a challenge.
La Vida de Juan: A Cost-Benefit Analysis of Crime and Violence in Mexico
Authors: Trejo Arturo Cervantes , Ringel Roey , Alcántara Isaac Deneb Castañeda , Amiga Isaac Baley , Cruz Nicole Terrein De La 
Published: February 2022

Abstract
Background: Crime and violence have hindered the development of the people, economy, and health of Mexico. In this study, we conducted a cost-benefit analysis to illustrate the compounding costs associated with not addressing the risk factors that lead children and young persons to violence and crime in Mexico.Methods: We created a fictional account of a typical male criminal offender in Mexico based on quantitative and qualitative data. Using quantitative and qualitative data from public, private, and government sources, we calculated the cost of each stage of Juan’s life along with the total cost of all crimes, violence, and events until the age of 37. Results: Direct and indirect costs increased exponentially over time as violent actions and crimes became more severe. The stage where costs were lowest was infancy, totaling $6,216 USD, while the costliest stage was adulthood totaling $1,034,847 USD. The total cost associated with the offender’s life (up to age 37) was $1,752,501 USD, while the total estimated cost of implementing prevention programs in each stage of life was $144,254 USD.Conclusions: The Mexican government must prioritize implementing evidence-based policies and programs for mitigating the risk factors that lead young persons to a life of violence and crime. Specifically, investing in programs at the earliest stages of life has been shown to have the greatest benefit in offsetting the compounding associated costs later in life. Our study shows that, theoretically, for every dollar invested on interventions to support Juan’s life, $12 are saved. This study can be used as an example and recommendation for other countries in Latin America and the Caribbean, which suffer from similar levels of violence and crime, and from similar cultural and socioeconomic conditions.
Oxidation and reduction of carcinogenic organic pollutants using ethylene glycol intercalated Fe:Cu LDH and its magnetic property
Authors: Panghal Sonika , Gupta Pankaj , Tomar Richa 
Published: February 2022

Abstract
The goal of this study is to use a solvothermal approach to make ethylene glycol intercalated Fe:Cu (2:1) LDH. In the presence of an ethylene glycol medium, a solvothermal reaction of FeCl3 with urea produced a brown powder. LDH was studied using a variety of analytical techniques with the goal of obtaining a large surface area for catalytic oxidation and reduction of carcinogenic organic pollutants in water. The PXRD pattern shows the rhombohedral symmetry. Exothermic nature in the decomposition and combustion of intercalated ethylene glycol was observed in the thermogravimetric analysis and differential scanning calorimetric spectroscopy. Vibrational stretching and bending modes in the FTIR and the presence of an ethylene glycol molecule in the inter-layer gallery was confirmed by Raman spectra. Layered morphology of the LDH was observed in the FESEM. UV-visible spectra showed d-d transition corresponding to the iron and copper ion in the LDH. The BET surface area and pore size were 125 m2/g and 0.38 cc/g, respectively. High surface area and redox property of metal ions in the LDH made this material an excellent catalyst toward oxidation and reduction of organic pollutants. The bifunctional catalytic properties were shown toward methylene blue dye and p-nitroaniline. Excellent antiferromagnetic and ferromagnetic properties of the synthesized material were shown and discussed.