bluuebunny/crossref_metadata_2025_split huggingface dataset:
Development, validation, and application of a simple UPLC–MS/MS method for simultaneous quantification of five traditional antipsychotics in human plasma
Authors: Fan Liju , An Jing , Cui Yanjun , Dong Zhanjun 
Published: April 2021

AbstractA UPLC–MS/MS method was developed to determine the levels of five traditional antipsychotics (APs) (chlorprothixene, perphenazine, fluphenazine, thioridazine, and promethazine) in human plasma with carbamazepine as the internal standard. Samples were extracted using simple liquid–liquid extraction (ethyl acetate/methyl tert‐butyl ether, 2:3 v/v); then the analytes were subjected to gradient elution chromatography with a mobile phase composed of 0.1% formic acid in water and acetonitrile. The analytes were separated using a Waters XBridge BEH C18 column (100 × 2.1 mm, 2.5 μm). The linear ranges of chlorprothixene, perphenazine, fluphenazine, thioridazine, and promethazine are 2–250 ng/mL, r > 0.995. The limit of quantitation is 2 ng/mL, and the limit of detection is in the range of 0.1–0.5 ng/mL. The inter‐day and intra‐day relative standard deviations are less than 10%, and the relative errors are in the range of −5.70 to 7.20%. The recoveries of the five drugs are in the range of 70–109%. The results of methodology verification indicate that this method is simple, economical, sensitive, and suitable for the simultaneous quantification of five traditional APs in human plasma.
Advanced teaching method for learning power system operation based on load flow simulations
Authors: Honrubia‐Escribano Andrés , Villena‐Ruiz Raquel , Artigao Estefanía , Gómez‐Lázaro Emilio , Morales Ana 
Published: April 2021

AbstractCurrent power systems are undergoing a rapid and complex transformation due to the integration of distributed generation. Load flow analysis is increasingly necessary to evaluate not only the operating point of the existing power system but also the design of future expansions. There are a wide variety of power system analysis packages used for load flow analysis. Of these, PowerFactory, one of the tools most widely used by network operators, is implemented for the present learning approach. In fact, one of the challenges for electric utility companies is the lack of experts who are familiar with this type of commercial tool. In the present work, several scenarios were defined and implemented using PowerFactory, covering common real‐life situations in power systems, such as the connection of a new line or a capacitor bank, or the installation of a renewable energy power plant. In this regard, the goal of the present teaching method was to complement the educational competences of power system engineers. As such, the proposed method was implemented in both an Electrical Engineering Degree course and a Master's Degree course in Industrial Engineering, where useful application feedback from students was obtained. Furthermore, the proposed approach is easily replicable for teaching/learning activities at other academic institutions.
Building consumer communal relationships through cause‐related marketing: From the perspective of persuasion knowledge
Authors: Song Baobao , Tao Weiting , Wen Taylor Jing 
Published: April 2021

AbstractThis study investigates the value of cause‐related marketing (CRM) campaigns in consumer relationship management. Specifically, following the tenets of persuasion knowledge model and equity theory, this study proposes that the effect of consumers' inferences of companies' manipulative intent (IMI) in CRM campaigns on consumer–brand communal relationships is contingent on consumers' knowledge about the degree to which the companies and the social cause benefit from the campaigns. A panel of 506 U.S. consumers was recruited to complete an online survey. Results reveal that when consumers believe that nonprofit partners benefit more from a CRM campaign than the company does, IMI positively affects consumer–brand communal relationships. However, when consumers perceive greater corporate benefits than social benefits, IMI negatively affects consumer–brand communal relationships. These results present a convincing case that in order to cultivate a long‐term communal relationship with consumers, companies should promote their CRM programs by highlighting these programs' social benefits and impact. If such programs are considered to yield more corporate benefits, companies should make efforts to mitigate the negative impact that IMI may bring to consumer–brand communal relationships. This study also advances our existing understanding of communal relationships and CRM by unveiling how CRM‐related factors collectively influence corporate building of a long‐term communal relationship with consumers. We hope to inspire future researchers who are interested in bridging CRM and communal relationship literature to inform effective CRM practice.
In‐hospital outcomes after transcatheter edge‐to‐edge mitral valve repair in patients with chronic kidney disease: An analysis from the 2010–2016 National inpatient sample
Authors: Panchal Hemang B. , Stone Gregg W. , Saxena Anshul , Bursac Zoran , Veledar Emir , Nagabandi Arun , Davidson Charles J. , Leon Martin B. , Beohar Nirat 
Published: April 2021

AbstractObjectivesTo assess the outcomes following transcatheter edge‐to‐edge mitral valve repair (TMVr) in patients with chronic kidney disease (CKD).BackgroundPercutaneous TMVr is beneficial in high surgical risk patients with severe mitral regurgitation (MR). However, those with CKD are not well studied.MethodsUtilizing the International Classification of Disease (ninth and tenth revision, clinical modification codes) and the Nationwide Inpatient Sample database, we identified 9,228 patients who underwent TMVr during 2010–2016, including those with no or mild CKD (group 1, n = 6,654 [72.11%]), moderate or severe CKD (group 2, n = 2,125 [23.03%]) and end‐stage renal disease (ESRD) on dialysis (group 3, n = 449 [4.86%]). In‐hospital clinical outcomes, length of stay and cost were assessed.ResultsIn‐hospital mortality increased numerically as CKD severity increased, but not statistically different between groups (1.8, 3.3, and 4.5% respectively in group 1, 2, and 3, p = .07). Moderate to severe CKD (group 2) was an independent predictor of acute renal failure requiring hemodialysis (ARFD) (OR: 3.51, CI: 2.33–5.28, p < .0001), the composite outcome of death, ARFD or stroke [OR: 3.15, 95% CI: 2.10–4.76, p < .0001] and extended length of stay [OR: 1.73, 95% CI: 1.24–2.42), p = .001] while ESRD (group 3) was an independent predictor of higher hospital cost [OR: 1.66, 95% CI: 1.01–2.74), p = .04] as compared with no or mild CKD (group 1).ConclusionsHigh surgical risk patients with severe MR commonly have associated comorbidities including CKD. TMVr outcomes appear to worsen with worsening CKD and therefore careful clinical case selection and further studies evaluating TMVr outcomes in CKD patients is warranted.
Conductive Metal‐Organic Frameworks: Electronic Structure and Electrochemical Applications
Authors: Nath Akashdeep , Asha K. S. , Mandal Sukhendu 
Published: April 2021

AbstractSmarter and minimization of devices are consistently substantial to shape the energy landscape. Significant amounts of endeavours have come forward as promising steps to surmount this formidable challenge. It is undeniable that material scientists were contemplating smarter material beyond purely inorganic or organic materials. To our delight, metal‐organic frameworks (MOFs), an inorganic‐organic hybrid scaffold with unprecedented tunability and smart functionalities, have recently started their journey as an alternative. In this review, we focus on such propitious potential of MOFs that was untapped over a long time. We cover the synthetic strategies and (or) post‐synthetic modifications towards the formation of conductive MOFs and their underlying concepts of charge transfer with structural aspects. We addressed theoretical calculations with the experimental outcomes and spectroelectrochemistry, which will trigger vigorous impetus about intrinsic electronic behaviour of the conductive frameworks. Finally, we discussed electrocatalysts and energy storage devices stemming from conductive MOFs to meet energy demand in the near future.
Chiral‐at‐Iron Catalyst for Highly Enantioselective and Diastereoselective Hetero‐Diels‐Alder Reaction
Authors: Hong Yubiao , Cui Tianjiao , Ivlev Sergei , Xie Xiulan , Meggers Eric 
Published: April 2021

AbstractThis study demonstrates that chiral‐at‐iron complexes, in which all coordinated ligands are achiral and the overall chirality the consequence of a stereogenic iron center, are capable of catalyzing asymmetric transformations with very high enantioselectivities. The catalyst is based on a previously reported design (J. Am. Chem. Soc. 2017, 139, 4322), in which iron(II) is surrounded by two configurationally inert achiral bidentate N‐(2‐pyridyl)‐substituted N‐heterocyclic carbenes in a C2‐symmetric fashion and complemented by two labile acetonitriles. By replacing mesityl with more bulky 2,6‐diisopropylphenyl substituents at the NHC ligands, the steric hindrance at the catalytic site was increased, thereby providing a markedly improved asymmetric induction. The new chiral‐at‐iron catalyst was applied to the inverse electron demand hetero‐Diels‐Alder reaction between β,γ‐unsaturated α‐ketoester and enol ethers provide 3,4‐dihydro‐2H‐pyrans in high yields with excellent diastereoselectivities (up to 99 : 1 dr) and excellent enantioselectivities (up to 98 % ee). Other electron rich dienophiles are also suitable as demonstrated for a reaction with a vinyl azide.
Solvent‐Dependent Stabilization of a Charge Transfer State is the Key to Ultrafast Triplet State Formation in an Epigenetic DNA Nucleoside
Authors: Wang Xueli , Martínez‐Fernández Lara , Zhang Yuyuan , Zhang Kun , Improta Roberto , Kohler Bern , Xu Jianhua , Chen Jinquan 
Published: April 2021

Abstract2’‐Deoxy‐5‐formylcytidine (5fdCyd), a naturally occurring nucleoside found in mammalian DNA and mitochondrial RNA, exhibits important epigenetic functionality in biological processes. Because it efficiently generates triplet excited states, it is an endogenous photosensitizer capable of damaging DNA, but the intersystem crossing (ISC) mechanism responsible for ultrafast triplet state generation is poorly understood. In this study, time‐resolved mid‐IR spectroscopy and quantum mechanical calculations reveal the distinct ultrafast ISC mechanisms of 5fdCyd in water versus acetonitrile. Our experiment indicates that in water, ISC to triplet states occurs within 1 ps after 285 nm excitation. PCM‐TD‐DFT computations suggest that this ultrafast ISC is mediated by a singlet state with significant cytosine‐to‐formyl charge‐transfer (CT) character. In contrast, ISC in acetonitrile proceeds via a dark 1nπ* state with a lifetime of ∼3 ps. CT‐induced ISC is not favored in acetonitrile because reaching the minimum of the gateway CT state is hampered by intramolecular hydrogen bonding, which enforces planarity between the aldehyde group and the aromatic group. Our study provides a comprehensive picture of the non‐radiative decay of 5fdCyd in solution and new insights into the factors governing ISC in biomolecules. We propose that the intramolecular CT state observed here is a key to the excited‐state dynamics of epigenetic nucleosides with modified exocyclic functional groups, paving the way to study their effects in DNA strands.
Kinetic and thermodynamic modelling of thermal decomposition of bitumen under high pressure enhanced with simulated annealing and artificial intelligence
Authors: Alade Olalekan , Gang Lei , Tariq Zeeshan , Mahmoud Mohamed , Al Shehri Dhafer , Sultan Abdullah , Al‐Ramadhan Ammar , Mokheimer Esmail 
Published: April 2021

AbstractThermogravimetric analysis (TGA) of energy resources including bitumen provides kinetic parameters, which can be applied in design and simulation of processes for thermal recovery and conversion. In this investigation, pressurized non‐isothermal decomposition of bitumen under inert environment has been studied. The kinetic parameters were calculated at different pressures (0.1, 0.5, and 1 MPa) and heating rates (10, 20, and 30°C/min) using the differential method. The parameters were later optimized using simulated annealing (SA) optimization algorithm. The results were subsequently validated by comparing the predicted conversion (α) with those of artificial neural network (ANN). Thermodynamic parameters (enthalpy, entropy, and Gibb's free energy) were also calculated using the optimized kinetic parameters. The TGA results show that weight loss and thermal conversion decreased as the total pressure increased from 0.1–1 MPa, at all heating rates. Conversely, the thermal conversion rate (dα/dT) was observed to first decrease with increasing pressure (0.1–1 MPa) within the low temperature oxidation (LTO) and fuel deposition (FD) regions. In contrast, it increased with increasing total pressure within the high temperature oxidation (HTO) region. Furthermore, it was observed that the activation energy (Ea) increased with increasing pressures at all heating rates, while the frequency factor (A) was independent of the pressure or the heating rates. In addition, the thermodynamic parameters tend to increase with increasing pressure. Ultimately, the results established that the SA algorithm could be used to enhance the performance of the differential modelling method in calculating kinetic parameters and predicting the conversion.
Simultaneous removal of elemental mercury and NO from flue gas by the CeO2/TiO2 catalysts and the mechanism investigation
Authors: He Zhong , Long Yifei , Liu Wenjie , Li Xiaoyi , Wang Yuan , Hu Jiangjun 
Published: April 2021

AbstractMercury pollution has become one of the high‐profile environmental problems in the world. A series of CeyTi catalyst were synthesized by sol–gel method, and the process of simultaneous conversion of NO and removal of mercury (Hg0) in the flue gas was studied. BET, SEM, and XRD were used to systematically detect the physicochemical properties of the catalysts, which show that excessive Ce loading would make its specific surface area reduce. The NO conversion efficiency would increase with the increase of the Ce loading. The optimal Ce/Ti mass ratio was 0.3. A part of the adsorbed NO would be oxidized by the active oxygen species on the catalyst surface to produce a certain amount of nitrogen‐containing substances, such as NO+, NO3−, or NO2. The produced substances could promote the adsorption and oxidation of Hg0. The NO conversion was very dependent on the oxygen in the flue gas. The activity of the Ce0.3Ti catalyst was promoted in the presence of O2. SO2 and H2O would inhibit the reaction of NO conversion and Hg0 removal. The mechanisms of the catalytic system have been proved via the Mars‐Maessen mechanism.
Prebiotic Chemistry in Aqueous Environment: A Review of Peptide Synthesis and Its Relationship with Genetic Code
Authors: Ying Jianxi , Ding Ruiwen , Liu Yan , Zhao Yufen 
Published: April 2021

AbstractPrebiotic peptide synthesis and the origin of the genetic code are central issues concerning the origin of life. The question of how they are possibly correlated on the primordial Earth remains perplexing, although numerous experiments have been carried out to explain the prebiotic chemistry of peptide synthesis and the genetic code origin. The purpose of this article is to review the chemical reactions occurred during the synthesis of peptides and the origin of the genetic code in the early Earth aqueous environment. Meanwhile, we attempt to review their relationship as well. At last, from our perspective, the chiral properties of biomolecules should be taken into account in the prebiotic chemical scenarios, which may contribute to some breakthroughs in the further research of this field.
Understanding the Potential In Vitro Modes of Action of Bis(β‐diketonato) Oxovanadium(IV) Complexes
Authors: Sergi Baris , Bulut Ipek , Xia Ying , Waller Zoë A. E. , Yildizhan Yasemin , Acilan Ceyda , Lord Rianne M. 
Published: April 2021

AbstractTo understand the potential in vitro modes of action of bis(β‐diketonato) oxovanadium(IV) complexes, nine compounds of varying functionality have been screened using a range of biological techniques. The antiproliferative activity against a range of cancerous and normal cell lines has been determined, and show these complexes are particularly sensitive against the lung carcinoma cell line, A549. Annexin V (apoptosis) and Caspase‐3/7 assays were studied to confirm these complexes induce programmed cell death. While gel electrophoresis was used to determine DNA cleavage activity and production of reactive oxygen species (ROS), the Comet assay was used to determine induced genomic DNA damage. Additionally, Förster resonance energy transfer (FRET)‐based DNA melting and fluorescent intercalation displacement assays have been used to determine the interaction of the complexes with double strand (DS) DNA and to establish preferential DNA base‐pair binding (AT versus GC).
Transgenic‐based solutions for citrus disease management in Argentina
Authors: De Francesco Agustina , Sendín Lorena Noelia , Gómez Rocío Liliana , Reyes Carina Andrea 
Published: April 2021

AbstractCitrus is a major fruit crop with economic importance worldwide, with citriculture historically threatened at times by a diverse array of pathogens. As a leading producer and exporter, Argentina has been dealing with endemic and quarantine diseases of citrus by implementing conventional management strategies. In recent decades, the pursuit of pathogen‐resistant transgenic citrus has been explored in the country as part of a long‐term and sustainable disease management strategy. Successful genetically modified organisms (GMOs) were created locally, engineered to resist viruses and bacteria for the control of tristeza, psorosis, canker, and huanglongbing diseases of citrus. Although the Argentine regulatory system accommodated these developments, there were also difficulties that demand further recognition and analysis. In the present work, we describe four major diseases affecting Argentine citriculture and a series of GMO‐oriented strategies for their management. We explore the methodologies behind these strategies, including transgenic‐based approaches, the current state of regulations, and what further actions may be taken to ensure continuing protection for citriculture.
Zero‐voltage switching half‐bridge pulse width modulation DC–DC converter with switched capacitor active snubber cell for renewable energy applications
Authors: Bodur Haci , Yesilyurt Huseyin , Ting Naim Suleyman , Sahin Yakup 
Published: April 2021

SummaryIn this paper, soft switching isolated half‐bridge converter with a new active snubber cell that uses switched capacitor for renewable energy applications is proposed. The proposed snubber cell does not consist any magnetic element so that its structure is quite simple. Furthermore, the auxiliary switches in the proposed active snubber cell are exposed to only half of the input voltage. There is no additional voltage and current stress on any semiconductor devices. All semiconductor power devices in the proposed converter are operated by soft switching. The proposed converter is analyzed thoroughly, and the theoretical analyzes are affirmed by an implementation having 300‐VDC input, 20‐VDC output, 75‐W output power, and 150‐kHz switching frequency. The overall hard switching efficiency of the converter is increased from 86.4% to 92.9% by aid of the proposed soft switching snubber cell.
miRNAs detection in equine plasma by quantitative polymerase chain reaction for doping control: Assessment of blood sampling and study of eca‐miR‐144 as potential erythropoiesis stimulating agent biomarker
Authors: Loup Benoit , André François , Avignon Justine , Lhuaire Marion , Delcourt Vivian , Barnabé Agnès , Garcia Patrice , Popot Marie‐Agnès , Bailly‐Chouriberry Ludovic 
Published: April 2021

AbstractShort half‐life doping substances are, quickly eliminated and therefore difficult to control with traditional analytical chemistry methods. Indirect methods targeting biomarkers constitute an alternative to extend detection time frames in doping control analyses. Gene expression analysis (i.e., transcriptomics) has already shown interesting results in both humans and equines for erythropoietin (EPO), growth hormone (GH), and anabolic androgenic steroid (AAS) misuses. In humans, circulating cell‐free microRNAs in plasma were described as new potential biomarkers for control of major doping agent (MDA) abuses. The development of a quantitative polymerase chain reaction (qPCR) method allowing the detection of circulating miRNAs was carried out on equine plasma collected on different type of tubes (EDTA, lithium‐heparin [LiHep]). Although analyzing plasma collected in EDTA tubes is a standard method in molecular biology, analyzing plasma collected in LiHep tubes is challenging, as heparin is a reverse transcription (RT) and a PCR inhibitor. Different strategies were considered, and attention was paid on both miRNAs extraction quality and detection sensitivity. The detection of endogenous circulating miRNAs was performed and compared between the different types of tubes. In parallel, homologs of human miRNAs characterized as potential biomarkers of doping were sought in equine databases. The miRNA eca‐miR‐144, described as potential erythropoiesis stimulating agents (ESAs) administration candidate biomarker was retained and assessed in equine post‐administration samples. The results about the qPCR method development and optimization are exposed as well as the equine miRNAs detection. To our knowledge, this work is the first study and the proof of concept of circulating miRNAs detection in plasma dedicated to equine doping control.
Cytosolic d‐type CpG‐oligonucleotides induce a type I interferon response by activating the cGAS‐STING signaling pathway
Authors: Bode Christian , Poth Jens M. , Fox Mario , Schulz Susanne , Klinman Dennis M. , Latz Eicke , Steinhagen Folkert 
Published: April 2021

AbstractCytosolic DNA receptor cyclic GMP‐AMP (cGAMP) synthase (cGAS) has been shown to be critically involved in the detection of cytosolic, self‐ and non‐self‐DNA, initiating a type I IFN response through the adaptor protein Stimulator of Interferon Genes (STING) and interferon regulatory factor 3 (IRF3). Current studies propose that canonical binding of dsDNA by cGAS depends on DNA length, but not on base sequence. In contrast, activation of TLR9 is sequence dependent. It requires unmethylated CpG dinucleotides in microbial DNA, which is mimicked by synthetic oligodeoxynucleotides (ODN). Here, we provide evidence that d‐type ODN (D‐ODN), but not K‐type ODN (K‐ODN), bind to human cGAS and activate downstream signaling. Transfection of D‐ODN into a TLR9‐deficient, human monocytic cell line (THP‐1) induced phosphorylation of IRF3 and secretion of IFN. This response was absent in cells with CRISPR/Cas9‐mediated cGAS‐ or STING‐deficiency. Utilizing a protein pulldown approach, we further demonstrate direct binding of D‐ODN to cGAS. Induction of a type I IFN response by D‐ODN was confirmed in human primary monocytes and monocyte‐derived macrophages. These results are relevant to our understanding of self–nonself‐discrimination by cGAS and to the pharmacologic effects of ODN, which currently are investigated in clinical studies.