bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mixed Silane‐based Self‐assembled Monolayers Deposited on Fluorine Doped Tin Oxide as Model System for Development of Biosensors for Toxin Detection
Authors: Gabriunaite Inga , Valiūnienė Aušra , Sabirovas Tomas , Valincius Gintaras 
Published: February 2021

AbstractIn this work mixed hybrid phospholipid bilayers (mhBLM) were deposited on fluorine doped tin oxide (FTO) films. Two component silane‐based self‐assembled monolayers (SAMs) formed on FTO surface trigger vesicle fusion and formation of mhBLMs which are stable, can be easily regenerated, and therefore, used for multiple experiments. We found that certain chemical and physical conditions under which mixed SAMs are fabricated translate into functional properties of mhBLMs. In all cases we observed interaction of melittin with mhBLMs demonstrating biological relevance of these biomimetic surface constructs and their possible application in biosensors for toxin detection.
Evaluation of Published Bioconcentration Factor (BCF) and Bioaccumulation Factor (BAF) Data for Per- and Polyfluoroalkyl Substances Across Aquatic Species
Authors: Burkhard Lawrence P. 
Published: February 2021

Abstract
Per- and polyfluoroalkyl substances (PFAS) are a group of man-made chemicals of concern across the globe, and some of the PFAS chemicals are known to be bioaccumulative in aquatic species. A literature search for bioconcentration factors (BCFs) and bioaccumulation factors (BAFs) for PFAS has been done, and data for 22 taxonomic classes were assembled. The assembled data were evaluated for quality, and for gaps and limitations in bioaccumulation information for the PFAS universe of chemicals. In general, carbonyl and sulfonyl PFAS classes are relatively data rich, whereas phosphate, fluorotelomer, and ether PFAS classes are data limited for fish and nonexistent for most other taxonomic classes. Taxonomic classes with the most measurements were, in descending order, Teleostei (fish), Bivalvia, and Malacostraca. For fish, median whole-body log BAFs (L/kg wet wt) for perfluorooctane sulfonic acid and perfluorooctanoic acid were 3.55 (standard deviation [SD] = 0.83, n = 84) and 2.16 (SD = 0.85, n = 48) using all measurements, respectively. In comparison with freshwater species, data are limited for marine species, and further research is needed to determine whether the BAFs for freshwater and marine species should be the same or different. The BAFs for some PFAS appear to be consistent with the BCFs developed with laboratory experiments, in which values decline with increasing concentrations in water. Environ Toxicol Chem 2021;40:1530–1543. Published 2021. This article is a U.S. Government work and is in the public domain in the USA.
Association of ficolin‐1 and ficolin‐3 gene variation and pulmonary tuberculosis susceptibility in a Chinese population
Authors: Li Ye , You En‐Qing , Lin Wen‐Hong , Liu Xiao‐Ning , Shen De‐Pei , Zhang Xin‐Li , Ma Dong‐Chun , Li Hong‐Miao 
Published: February 2021

AbstractBackgroundThe aim of our study was to estimate the association of ficolin‐1 (FCN1) gene (rs10120023, rs1071583) and ficolin‐3 (FCN3) gene (rs3813800, rs10794501) polymorphisms and pulmonary tuberculosis (PTB) susceptibility, as well as their several clinical features, in a Chinese population.MethodsThis study included a cohort of 489 PTB patients and 489 healthy controls, and the four SNPs were genotyped by improved multiple ligase detection reaction (iMLDR).ResultsWe found that there were no significant differences regarding the allele and genotype frequencies of FCN1 rs10120023, rs1071583 and FCN3 rs3813800, rs10794501 between PTB patients and healthy controls (all p > 0.05). The association of three main haplotypes (CC, CT, and TC) in FCN1 and three main haplotypes (CT, GA, and GT) in FCN3 with PTB susceptibility was also analyzed, and no significant association was detected (all p > 0.05). In FCN1, the rs1071583 TT genotype was significantly associated with the occurrence of drug resistance in PTB patients (p = 0.040). In addition, the GG genotype and G allele frequencies of rs3813800 in FCN3 gene were significantly higher in PTB patients with pulmonary infection (p = 0.027, p = 0.020, respectively).ConclusionsFCN1 and FCN3 genetic variation were not contributed to the pathogenesis of PTB in Chinese. While rs1071583 and rs3813800 variant might associate with several clinical characteristics of PTB.
Exosomes derived from vascular endothelial cells antagonize glucocorticoid‐induced osteoporosis by inhibiting ferritinophagy with resultant limited ferroptosis of osteoblasts
Authors: Yang Run‐Ze , Xu Wen‐Ning , Zheng Huo‐Liang , Zheng Xin‐Feng , Li Bo , Jiang Lei‐Sheng , Jiang Sheng‐Dan 
Published: February 2021

AbstractHigh dose and long‐term steroid treatment can alter antioxidative ability and decrease the viability and function of osteoblasts, leading to osteoporosis and osteonecrosis. Ferroptosis, a new type of cell death characterized by excessive lipid peroxidation due to the downregulation of GPX4 and system Xc−, is involved in glucocorticoid‐induced osteoporosis. Endothelial cell‐secreted exosomes (EC‐Exos) are important mediators of cell‐to‐cell communication and are involved in many physiological and pathological processes. However, the effect of EC‐Exos on osteoblasts exposed to glucocorticoids has not been reported. Here, we explored the role of EC‐Exos in glucocorticoid‐induced osteoporosis. In vivo and in vitro experiments indicated that EC‐Exos reversed the glucocorticoid‐induced osteogenic inhibition of osteoblasts by inhibiting ferritinophagy‐dependent ferroptosis.
Noninvasive Assessment of O(6)‐Methylguanine‐DNA Methyltransferase Promoter Methylation Status in World Health Organization Grade II–IV Glioma Using Histogram Analysis of Inflow‐Based Vascular‐Space‐Occupancy Combined with Structural Magnetic Resonance Imaging
Authors: He Wenle , Li Xiaodan , Hua Jun , Liao Shukun , Guo Liuji , Xiao Xiang , Liu Xiaomin , Zhou Jun , Wang Wensheng , Xu Yikai , Wu Yuankui 
Published: February 2021

AbstractBackgroundO(6)‐methylguanine‐DNA methyltransferase (MGMT) promoter methylation is an important prognostic factor for gliomas and is associated with tumor angiogenesis. Arteriolar cerebral blood volume (CBVa) obtained from inflow‐based vascular‐space‐occupancy (iVASO) magnetic resonance imaging (MRI) is assumed to be an indicator of tumor microvasculature. Its preoperative predictive ability for MGMT promoter methylation remains unclear.PurposeTo investigate the role of iVASO‐CBVa histogram features in determining MGMT promoter methylation status of grade II–IV gliomas.Study TypeRetrospectiveSubjectsForty‐six patients consisting of 20 MGMT methylated and 26 unmethylated gliomas.Field Strength/Sequence3.0 T magnetic resonance images containing iVASO MRI, T1‐weighted image (T1WI), T2‐weighted image, T2‐weighted fluid attenuated inversion recovery image images, and enhanced T1WI.AssessmentSixteen structural imaging features were visually evaluated on structural MRI and 14 CBVa histogram features were extracted from iVASO‐CBVa maps.Statistical TestsImaging features were screened and ranked using Fisher's exact test, Mann–Whitney U‐test, and randomforest algorithm. Features with higher importance were selected to develop logistic regression models to determine MGMT methylation status. Receiver operating characteristics (ROC) curve with the area under the curve (AUC) and leave‐one‐out cross‐validation (LOOCV) were used to assess effectiveness and stability.ResultsThe top two CBVa histogram features were root mean squared (RMS) and variance. The top two structural imaging features were contrast‐enhancing component of the tumor (CET) location and tumor location. Both the CBVa model of RMS and variance (ROC, AUC = 0.867; LOOCV, AUC = 0.819) and the model of structural features (ROC, AUC = 0.882; LOOCV, AUC = 0.802) accurately identified MGMT methylation. The fusion model of CBVa RMS and CET location improved diagnostic performance (ROC, AUC = 0.931; LOOCV, AUC =0.906).Data ConclusioniVASO‐CBVa has potential in evaluating MGMT methylation status in grade II–IV gliomas.Level of Evidence4Technical EfficacyStage 2
An investigation of the potential association between gastrointestinal viral and bacterial infection and development of intestinal acute graft versus host disease following allogeneic hematopoietic stem cell transplantation
Authors: Bueno Felipe , Albert Eliseo , Giménez Estela , Piñana José L. , Pérez Ariadna , Dolores Gómez María , Hernández‐Boluda Juan C. , Gonzalez‐Barberá Eva M. , Montoro Juan , Buesa Javier , Guerreiro Manuel , Balaguer‐Roselló Aitana , Hernani Rafael , Sanz Jaime , Solano Carlos , Navarro David 
Published: February 2021

AbstractIt is uncertain whether gastrointestinal (GI) infection caused by viral and bacterial pathogens may predispose to gastrointestinal acute Graft‐versus‐host disease (aGvHD‐GI) in allogeneic hematopoietic stem cell transplant recipients (allo‐HSCT). We investigated the potential association between detection of enteropathogenic viruses or bacteria in stools and subsequent occurrence of aGvHD‐GI in a cohort of 121 allo‐HSCT patients. Eighty‐six out of 121 patients (71%) had acute diarrhea and underwent screening for primary GI pathogens by molecular diagnostic methods. One or more GI pathogens were detected in 27 out of the 86 patients with diarrhea (31.3%). Specifically, Clostridioides difficile was found in 16 patients (18.6%), enteropathogenic viruses in 11 patients (12.7%) (Astrovirus, n = 4; Norovirus, n = 2; Sapovirus, n = 2; Adenovirus, n = 2; and Rotavirus, n = 1), and Campylobacter spp. in two patients (2.3%). Thirty patients were diagnosed with all grade aGvHD‐GI by histopathology. Detection of primary GI pathogens was achieved in 12 out of 30 patients (Clostridium difficile, n = 5; enteric viruses, n = 8; Campylobacter spp., n = 1) who either subsequently developed (n = 9) or previously had (n = 3) grade I‐IV IaGvHD (n = 9). Neither the detection of these microorganisms (all combined), enteric viruses, nor C. difficile was significantly associated with subsequent aGvHD‐GI development in Cox models (hazard ratio [HR] = 1.11, p = .80; HR = 1.64, p = .62; HR = 0.75, p = .64, respectively). Analogous results were obtained when grade II–IV aGvHD‐GI was selected as the clinical outcome. In summary, data in the current study did not support an association between GI infection and subsequent occurrence of aGvHD‐GI in an unselected cohort of allo‐HSCT recipients.
Developing outcome measures of disease activity in pediatric myasthenia
Authors: Prior Devin E. , Cooper Baillee A. , Zhang Bo , Ghosh Partha S. 
Published: February 2021

AbstractIntroductionPediatric myasthenia encompasses juvenile myasthenia gravis (JMG) and congenital myasthenic syndrome (CMS), which are chronic disorders with fluctuating symptoms amenable to medical therapy. Disease activity and treatment response may be difficult to assess, but, unlike adults, outcome measures have not been developed in children.MethodsThe study was performed in children (0‐18 years of age) at the neuromuscular center of a pediatric hospital over a 3‐year period. Patients were recruited prospectively as part of their routine clinical care. Demographic data, diagnosis (JMG/CMS), and the following scales were recorded at each visit: Myasthenia Gravis Foundation of America (MGFA) class, Myasthenia Gravis Composite (MGC), and Pediatric Myasthenia–Quality of Life 15 (PM‐QOL15).ResultsThirty‐three patients (24 JMG, 9 CMS) were included in the study, 22 had two or more visits. We established known‐groups validity of the MGC and PM‐QOL15 scores as compared with the MGFA class. To establish concurrent validity, we constructed a receiver‐operating characteristic curve and calculated threshold values of MGC and PM‐QOL15 with optimal sensitivity and specificity for identifying a patient with more severe (MGFA III or higher) disease. Finally, we demonstrated the concordance between the MGC and PM‐QOL15 by their statistically significant positive Pearson and Spearman correlations.DiscussionOur study suggests that MGC and PM‐QOL15 are important disease outcome measures in pediatric myasthenia that are easy to administer and provide reliable assessment of disease activity in the clinic setting. Further studies are needed to validate their use for pediatric clinical research trials.
An iterative scheme of flexibility‐based component mode synthesis with higher‐order residual modal compensation
Authors: Chung In Seob , Kim Jin‐Gyun , Chae Soo‐Won , Park K.C. 
Published: February 2021

AbstractAn Iterative Flexibility‐based Component Mode Synthesis (IF‐CMS) is presented for the model reduction of partitioned structural dynamic systems via localized Lagrange multipliers. A distinct IF‐CMS feature is the inclusion of hierarchical residual flexibility at each iteration, resulting in considerably improved accuracy compared with the classical Craig–Bampton (CB) CMS method. The present IF‐CMS method does not increase the number of substructural modes during the hierarchical iteration process. In particular, to alleviate ill‐conditioning during the iteration steps, the proposed IF‐CMS method adopts the so‐called (qd, , ub)‐formulation by condensing Lagrange multipliers from the original F‐CMS method. The performance of the proposed method is evaluated through numerical examples, which illustrates improved accuracy over existing CMS methods.
Estimating the economic impact of a one‐time event: The case of l'Hermione in Yorktown
Authors: Hall Thomas , Shuck Sheri M. 
Published: February 2021

AbstractIn an era of pressure on government resources, nonprofits can serve an important role in the provision of services to the public. However, without clear and quantifiable estimates of their impact, it is difficult for policymakers to justify allocating governmental resources toward these services. This is especially the case for ephemeral opportunities that arise without substantial advance notice or a special program that occurs only once (contrasted to programs that nonprofits provide on a continuing basis). This research note presents economic impact estimates for a unique example of a remarkable effort involving numerous entities from the government, for‐profit, and nonprofit sectors. Our contribution is to exemplify methods that might be used to assess the economic impact of ephemeral or one‐time events. Of course, each situation is unique, so the judgment of the analyst is always a key input. Using three survey‐generated data points per respondent, nonprofits can replicate the methods of this study to assess the economic impact of special events herein. With estimates such as the ones examined herein, policymakers can contrast the benefits of special events with their costs in order to determine if such events are worthwhile investments.
Computation‐driven synthesis of pentothal sodium
Authors: Chen Jitian , Du Tianyu , Gao Liuzhou , Chai Zhongjing , Dong Hao 
Published: February 2021

AbstractDifferent reaction conditions or reaction sequences are critical problems to be solved in synthetic chemistry research. Calculating possible reaction paths with quantum chemistry methods could effectively drive the development of chemical synthesis. Here, we take the synthesis of thiopental (or pentothal sodium), an ultra‐short‐acting general anesthetic that induces hypnosis and anesthesia, as an example. Different synthetic routes for this compound have been reported in the literature, but detailed information such as the alkylation sequence is illusive. In this work, we revisited the thiopental synthesis path with combined computational prediction and experimental validation. We explored the reaction mechanism of each putative elementary step with density functional theory (DFT) calculations. Our computations show that two different alkylation paths (with either 2‐bromopentane or bromoethane) are both possible. However, the reaction order has a significant impact on the amount of by‐products in the synthesis product. The subsequent experiments validated the predicted alkylation sequence from DFT calculations. We further showed that EtONa/EtOH is much better than NaH/EtOH to produce thiopental through thiourea's reaction with 2‐ethyl‐2‐(1‐methylbutyl) diethyl malonate with a higher yield of the target product. The proposed synthetic path gives a total yield of 66%, higher than the literature reported. Therefore, the computation‐driven synthesis of drug molecules provides new insight into the synthetic route's appropriate design and optimization of reaction conditions.
Covalently Bonded 2D/0D g‐C3N4/MoS2 Nanocomposites for Enhanced Tribological Properties in Oil
Authors: Min Chunying , Yang Yuzi , Liang Hongyu , He Zengbao , Zhu Jinfeng , Li Qiuying 
Published: February 2021

AbstractIn current work, by an ordinary one‐step hydrothermal strategy, the covalently bonded graphitic carbon nitride/molybdenum disulfide (g‐C3N4/MoS2) nanocomposites were successfully synthesized. SEM, TEM analyses evidenced the well distribution of MoS2 nanoparticles on g‐C3N4. The covalent bond (C−S bond) between two‐dimensional (2D) g‐C3N4 and zero‐dimensional (0D) MoS2 were confirmed by FTIR and XRD. Furthermore, the average friction coefficient and wear rate of g‐C3N4/MoS2 nanocomposites at 0.20 wt % concentration could separately reach up to 27.86 % and 70.87 % reduction by comparing pure oil, benefiting from synergistic lubrication of g‐C3N4 nanosheets plus spherical MoS2. In the work, novel guidance will be provided for the potential application of multi‐dimensional g‐C3N4‐based nanocomposites in lubricating field.
Design and Characterization of Ticagrelor‐Loaded Chitosan Biopolymer to Improve Chemical and Biological Properties of the Drug
Authors: Hosseini‐Ashtiani Nafiseh , Tadjarodi Azadeh 
Published: February 2021

AbstractThe present study aimed at proposing a safe drug delivery system comprising of chitosan, as a natural polymer, and cyanocobalamin (Cbl) in compliance with the biological system to improve oral administration of ticagrelor (TCG). To this end, the drug loading, in‐vitro drug release, and in‐vitro cytotoxicity were assessed after fabricating the drug‐loaded carrier. Drug transfer could be improved due to the inherent features of mucoadhesive chitosan and the existence of a specific receptor for Cbl in the intestine. Given the results, a maximum drug loading efficiency of 80 % was obtained for TCG, and a controlled release profile was achieved for the drug‐loaded carrier in 0.2 % w/v polysorbate 80 in water. Biocompatibility studies of the TCG‐loaded carrier showed similar cytotoxicity compared to the free drug. The proposed safe drug delivery system has the potentials to overcome the constraints that might preclude the use of the TCG formulation in oral dosage forms.
Propylphosphonic Anhydride (T3P®) as Coupling Reagent for Solid‐Phase Peptide Synthesis
Authors: Al Musaimi Othman , Wisdom Richard , Talbiersky Peter , De La Torre Beatriz G. , Albericio Fernando 
Published: February 2021

AbstractAmidation is the predominant reaction within the pharmaceutical setting, and it is attracting greater attention due to the increased demand for therapeutic peptides. The high therapeutic efficacy and safety profile of peptides have placed these molecules in prime position within the pharmaceutical arena, which is reflected by these molecules receiving several approvals from various regulatory agencies each year. In this context, the demand for developing efficient strategies for peptide synthesis has also risen. Although propylphosphonic anhydride (T3P®), which has been recently proposed as a green coupling reagent, has shown good performance in solution, it has never been applied to solid‐phase peptide synthesis (SPPS). Here we test the use of T3P® for SPPS. Satisfactory yields were achieved with a mild activation protocol. Various green solvents were tested and proved to be compatible with this coupling reagent. Several commonly used reagents cause allergic reactions or are susceptible to explosion under certain conditions. To overcome these issues, we propose T3P® as a potential alternative coupling reagent in SPPS.
Activating Layered Metal Oxide Nanomaterials via Structural Engineering as Biodegradable Nanoagents for Photothermal Cancer Therapy
Authors: Zhou Zhan , Wang Xianwen , Zhang Hui , Huang Haoxin , Sun Lina , Ma Lu , Du Yonghua , Pei Chengjie , Zhang Qinghua , Li Hai , Ma Lufang , Gu Lin , Liu Zhuang , Cheng Liang , Tan Chaoliang 
Published: February 2021

AbstractLayered metal oxides including MoO3 and WO3 have been widely explored for biological applications owing to their excellent biocompatibility, low toxicity, and easy preparation. However, they normally exhibit weak or negligible near‐infrared (NIR) absorption and thus are inefficient for photo‐induced biomedical applications. Herein, the structural engineering of layered MoO3 and WO3 nanostructures is first reported to activate their NIR‐II absorption for efficient photothermal cancer therapy in the NIR‐II window. White‐colored micrometre‐long MoO3 nanobelts are transformed into blue‐colored short, thin, defective, interlayer gap‐expanded MoO3−x nanobelts with a strong NIR‐II absorption via the simple lithium treatment. The blue MoO3−x nanobelts exhibit a large extinction coefficient of 18.2 L g−1 cm−1 and high photothermal conversion efficiency of 46.9% at 1064 nm. After surface modification, the MoO3−x nanobelts can be used as a robust nanoagent for photoacoustic imaging‐guided photothermal therapy to achieve efficient cancer cell ablation and tumor eradication under irradiation by a 1064 nm laser. Importantly, the biodegradable MoO3−x nanobelts can be rapidly degraded and excreted from body. The study highlights that the structural engineering of layered metal oxides is a powerful strategy to tune their properties and thus boost their performances in given applications.
Assessment of resistance and biosorption ability of Lactobacillus paracasei to remove lead and cadmium from aqueous solution
Authors: Afraz Vahideh , Younesi Habibollah , Bolandi Marzieh , Hadiani Mohammad Rasoul 
Published: February 2021

AbstractSince heavy metals have been regarded as ubiquitous environmental pollutants, the exploitation of bacterial biosorption has been suggested as an applicable method for being employed for heavy metal depletion. The present study aimed to characterize the function of Lactobacillus paracasei in the presence of Pb (II) and Cd (II). The simultaneous effect of pH, initial metal concentration, and inoculum size demonstrated the Pb (II) removal of 85.77% at the lowest pH, while the inoculum size was enhanced to 45 CFU/100 ml. The maximum Cd (II) removal was obtained at a high level of pH and inoculum size, while the metal concentration was reduced to 30 ppb. The addition of Cd (II) concentration in access led to the 10% drop in Cd (II) removal efficiency attributed to the metal toxicity and pH. Additionally, the slight variation in the amount of inoculum size caused the decreasing trend in the Cd (II) removal. According to the obtained results, the benefit of L. paracasei in the biosorption of heavy metals was well‐recognized, which could be suggested as an alternative candidate.Practitioner points

Strain of Lactobacillus paracasei as potential probiotics was tested for biosorption.
A successful response surface method was proposed.
L. paracasei showed a good efficiency for the lead and cadmium biosorption.
Biosorption process was effective in removing low metal level from drinking water.
The maximum biosorption was found to be 85.77% for Pb (II) obtained from the experiment.