bluuebunny/crossref_metadata_2025_split huggingface dataset:
A novel approach to determine tropical persistence on alfalfa germplasm
Authors: dos Santos Iara Gonçalves , Peixoto Marco Antônio , Cruz Cosme Damião , Ferreira Reinaldo de Paula , Nascimento Moysés , Rosado Renato Domiciano Silva , Sant Anna Isabela de Castro 
Published: June 2022

AbstractPersistence plays a key role in alfalfa (Medicago sativa L. ssp. sativa) cultivation in tropical areas, but it is still a restriction for breeding programs. The objectives of this study were to identify persistent alfalfa accessions evaluated under tropical conditions, and to propose a method for selecting persistent accessions based on random regression (RR) models using artificial neural networks (ANN). Dry matter yield (DMY) of 77 alfalfa accessions from 24 cuts was measured to evaluate persistence using different RR models. A persistence method was proposed based on the trajectory curves of the accessions. The fitted curves showed a great amplitude regarding DMY over time, which suggest high persistence variability. The three‐step method for accessing persistence presented in this study included RR modeling to obtain trends of persistence, k‐means to define different persistence clusters, and ANN to perform persistence classification in an automated way. When new accessions are evaluated by an alfalfa breeding program, they will be classified according to their genetic values scores using the same ANN previously fitted. The ANN will greatly enhance the decision‐making process.
Role of miR‐21‐5p/FilGAP axis in estradiol alleviating the progression of monocrotaline‐induced pulmonary hypertension
Authors: Hu Xiaoyi , Wang Qian , Zhao Hui , Wu Wenhui , Zhao Qinhua , Jiang Rong , Liu Jinming , Wang Lan , Yuan Ping 
Published: June 2022

AbstractBackgroundAberrant expression of microRNAs (miRNAs) has been associated with the pathogenesis of pulmonary hypertension (PH). It is, however, not clear whether miRNAs are involved in estrogen rescue of PH.MethodsFresh plasma samples were prepared from 12 idiopathic pulmonary arterial hypertension (IPAH) patients and 12 healthy controls undergoing right heart catheterization in Shanghai Pulmonary Hospital. From each sample, 5 μg of total RNA was tagged and hybridized on microRNA microarray chips. Monocrotaline‐induced PH (MCT‐PH) male rats were treated with 17β‐estradiol (E2) or vehicle. Subgroups were cotreated with estrogen receptor (ER) antagonist or with antagonist of miRNA.ResultsMany circulating miRNAs, including miR‐21‐5p and miR‐574‐5p, were markedly expressed in patients and of interest in predicting mean pulmonary arterial pressure elevation in patients. The expression of miR‐21‐5p in the lungs was significantly upregulated in MCT‐PH rats compared with the controls. However, miR‐574‐5p showed no difference in the lungs of MCT‐PH rats and controls. miR‐21‐5p was selected for further analysis in rats as E2 strongly regulated it. E2 decreased miR‐21‐5p expression in the lungs of MCT‐PH rats by ERβ. E2 reversed miR‐21‐5p target gene FilGAP downregulation in the lungs of MCT‐PH rats. The abnormal expression of RhoA, ROCK2, Rac1 and c‐Jun in the lungs of MCT‐PH rats was inhibited by E2 and miR‐21‐5p antagonist.ConclusionsmiR‐21‐5p level was remarkably associated with PH severity in patients. Moreover, the miR‐21‐5p/FilGAP signaling pathway modulated the protective effect of E2 on MCT‐PH through ERβ.
Application of an Imprint‐and‐Report Sensor Array for Detection of the Dietary Metabolite Trimethylamine N‐Oxide and Its Precursors in Complex Mixtures
Authors: Harrison Emily E. , Waters Marcey L. 
Published: June 2022

AbstractTrimethylamine N‐oxide (TMAO) is produced in the gut via metabolism of dietary betaine, choline, and carnitine, and elevated TMAO in plasma is associated with adverse health effects, including cardiovascular events. Currently, we lack high throughput methods for sensing these metabolites and detecting high TMAO. Thus, we have adapted our previously described “imprint‐and‐report” fluorescent sensing method using dynamic combinatorial libraries (DCLs) to create a sensor array for these four metabolites that functions at physiologically relevant concentrations. Templation of DCLs with dye and subsequent addition of analytes generates a fluorescent fingerprint for each metabolite and allows for differentiation via principal component analysis (PCA). Furthermore, we demonstrate that this system can be used to characterize mixtures of the metabolites in both buffer and human plasma samples. Using three to six DCLs, we can distinguish between plasma samples with healthy and elevated levels of TMAO.
Weak Cation–Solvent Interactions in Ether‐Based Electrolytes Stabilizing Potassium‐ion Batteries
Authors: Li Jinfan , Hu Yanyao , Xie Huabin , Peng Jun , Fan Ling , Zhou Jiang , Lu Bingan 
Published: June 2022

AbstractConventional ether‐based electrolytes exhibited a low polarization voltage in potassium‐ion batteries, yet suffered from ion–solvent co‐intercalation phenomena in a graphite anode, inferior potassium‐metal performance, and limited oxidation stability. Here, we reveal that weakening the cation–solvent interactions could suppress the co‐intercalation behaviour, enhance the potassium‐metal performance, and improve the oxidation stability. Consequently, the graphite anode exhibits K+ intercalation behaviour (K||graphite cell operates 200 cycles with 86.6 % capacity retention), the potassium metal shows highly stable plating/stripping (K||Cu cell delivers 550 cycles with average Coulombic efficiency of 98.9 %) and dendrite‐free (symmetric K||K cell operates over 1400 hours) properties, and the electrolyte exhibits high oxidation stability up to 4.4 V. The ion–solvent interaction tuning strategy provides a promising method to develop high‐performance electrolytes and beyond.
Catalytic oxidative dehydrogenation of ethane using carbon dioxide as a soft oxidant over Co‐HMS catalysts to ethylene
Authors: Xiao Fei , Guo Dan , Zhao Feigang , Zhao Yujun , Wang Shengping , Ma Xinbin 
Published: June 2022

AbstractIn this work, a series of cobalt doped hexagonal mesoporous silica (Co‐HMS) with the different Co content were prepared by direct hydrothermal method and applied to oxidative dehydrogenation (ODH) reaction of ethane with carbon dioxide. Structural and chemical properties of the catalysts were characterized by nitrogen adsorption, X‐ray powder diffraction (XRD), transmission electron microscopy (TEM), electron dispersive spectroscopy (EDS), X‐ray photoelectron spectroscopy (XPS), and Raman and ultraviolet–visible (UV‐vis) spectroscopy. These characterizations showed that cobalt not only entered the framework of Co‐HMS catalysts but also was evenly dispersed in the bulk. The valence state and coordination mode of cobalt played an important role in the whole ODH reaction system of ethane with carbon dioxide. 2% Co‐HMS with dominant Co2+ had the highest conversion of ethane (26.0%). With the different cobalt content in the catalyst, the proportion of Co2+(Td) and Co2+(Oh) is also different. 1% Co‐HMS with more Co2+(Td) performed the highest ethylene selectivity of 86.7%, which was stable during the 10 h reaction time.
Cr(VI) removal from groundwater by calcium alginate coating microscale zero‐valent iron and activated carbon: Batch and column tests
Authors: Duan Yijun , Meng Fanbin , Li Miao , Hou Xiaoshu , Zhang Shuo , Li Jiacheng , Liu Xiang 
Published: June 2022

AbstractAlthough most of the studies focus on the nanoscale zero‐valent iron (nZVI), it still ineffective when comes to in situ utilization due to its intrinsic drawbacks such as rapid aggregation, biotoxicity, high cost, complex preparation process, and so forth. With advantages of lower health risk, lower cost, and simpler fabricate method, microscale zero‐valent iron (mZVI) shows more attractiveness for groundwater remediation than nZVI if its main problem, passivation, can be alleviated. In order to overcome the passivation of mZVI, (mZVI+AC)/CA was produced by encapsulating mZVI and activated carbon (AC) in spherical calcium alginate (CA) matrix in this study. The method effectively solved the passivation of mZVI and showed great long‐effective removal of Cr(VI). The Cr(VI) removal efficiency of (mZVI+AC)/CA could maintain 1.6–2.69 times as much as that of pure mZVI for 0–1500 pore volumes. The maximum Cr(VI) removal capacity reached 100.47 mg/g, which exceeded most of mZVI‐based materials and even some nZVI‐based materials. In addition, mechanism of Cr(VI) removal was revealed by X‐ray diffraction and X‐ray photo‐electron spectroscopy. The results showed that chemisorption, physisorption, reduction, oxidation, and precipitation were involved in the process. Pseudo‐second order model and Freundlich isotherm model were best fitted in kinetics and isotherm experiments, respectively.
Ascorbic acid can alleviate the degradation of levodopa and carbidopa induced by magnesium oxide
Authors: Miyaue Noriyuki , Kubo Madoka , Nagai Masahiro 
Published: June 2022

AbstractIntroductionLevodopa and carbidopa are reported to be degraded by magnesium oxide (MgO), which is often used as a laxative for patients with Parkinson's disease (PD). Ascorbic acid (AsA) can stabilize levodopa and carbidopa solutions; however, the effect of AsA on the degradation of levodopa and carbidopa induced by MgO has not been fully investigated.MethodsThe effect of AsA was evaluated using in vitro examinations, compared with lemon juice, and by measuring the plasma concentration of levodopa in a patient with PD.ResultsIn vitro experiments showed that the relative concentrations of levodopa remained almost constant, and the relative concentrations of carbidopa decreased with time with addition of MgO. AsA mitigated this effect in a concentration‐dependent manner, whereas the addition of lemon juice caused little change, although the pH decreased to the same extent. The results of levodopa pharmacokinetics of the patient showed that the area under the plasma concentration‒time curve values from hour 0 to 8 were 53.00 μmol·h/L with regular administration and 67.27 μmol·h/L with co‐administration of AsA.ConclusionsAsA can mitigate the degradation of carbidopa induced by MgO and may contribute to improving the bioavailability of levodopa in patients with PD.
Problem‐based learning on household electricity consumption analysis using predictive models and tools
Authors: Ramnath Gaikwad S. , Harikrishnan R. 
Published: June 2022

AbstractSmart grid (SG) is an emerging subject in power engineering that requires interdisciplinary skills. SG implementation has challenges in accurate prediction of electricity consumption, power stability, power quality, and critical infrastructure security. This study uses predictive modeling and different tools to introduce problem‐based learning techniques through household electricity consumption (HEC) analysis. The problem statement is to understand the effect of the weather conditioning data set on the accuracy of HEC prediction and select the most fitting predictive model for further decision‐making. Five predictive models, namely random forest, linear regression, support vector machine, neural network, and adaptive boosting, are utilized, and their prediction results are compared based on a performance matrix. The paper also briefs the usage of different tools, including Jeffrey's Amazing Statistics Program tool for finding the correlations within variables, the Power Business Intelligence tool for data visualization, and the Orange tool for building predictive modeling. This study focuses on three aspects. Firstly, to demonstrate energy predictive modeling analysis without knowing the coding knowledge. Secondly, to develop the creative thinking of engineering students to solve complex, interdisciplinary engineering problems using tools. Thirdly, to motivate students to be actively involved in their problem‐based research projects.
Synthesis and Antibacterial Evaluation of Rhodanine and Its Related Heterocyclic Compounds against S. aureus and A. baumannii
Authors: Akunuri Ravikumar , Unnissa Tanveer , Kaul Grace , Akhir Abdul , Saxena Deepanshi , Wajidali Mohmadd , Veerareddy Vaishnavi , Yaddanapudi Venkata Madhavi , Chopra Sidharth , Nanduri Srinivas 
Published: June 2022

AbstractAntimicrobial resistance is a serious challenge to modern medicine. Besides imposing high financial burden, multidrug resistant infections are directly responsible for high morbidity and mortality. Even though a number of antibiotics are currently available to treat infections caused by ESKAPE organisms, more and more bacterial strains are becoming resistant to these drugs. Prevailing circumstances pose an urgent unmet need for the development of newer antimicrobials to treat the infections caused by MDR organisms. Rhodanine and structurally related 5‐membered heterocycles possess wide range of pharmacological activities. A number of these derivatives have shown good to potent inhibition against various microorganisms. They are reported to alter the function of DNA gyrase B, metallo‐β‐lactamases, penicillin binding protein (PBP), Mur ligases, RNA polymerase, Enoyl ACP reductases, 1‐deoxy‐d‐xylulose‐5‐phosphate reductoisomerase. etc which are vital in bacterial growth, survival and replication. In this study, we have generated a library of Rhodanine and related 5 membered heterocyclic derivatives and screened them against a panel of pathogens. Among all the compounds, 2a–i, 3a–b, 3g, 4, 6b–c, 6e, 6g, 12a–b and 14b–c have demonstrated good to moderate inhibition against S. aureus (MIC 0.125–8 μg/mL). Further, compound 17b demonstrated moderate activity against A. baumannii (MIC 8 μg/mL). In addition, compounds 2a, 2e, 4, 6c, 6g and 14b have shown good to mild inhibition against MDR S. aureus including VRSA (MIC 0.5–16 μg/mL) with good selectivity index 20–1600. In addition, compound 2e inhibited the growth gradually after 6 h in time kill kinetic studies and not antagonized with the tested FDA approved drugs.
Selective Oxidations Using a Cytochrome P450 Enzyme Variant Driven with Surrogate Oxygen Donors and Light
Authors: Lee Joel H. Z. , Podgorski Matthew N. , Moir Michael , Gee Alecia R. , Bell Stephen G. 
Published: June 2022

AbstractCytochrome P450 monooxygenase enzymes are versatile catalysts, which have been adapted for multiple applications in chemical synthesis. Mutation of a highly conserved active site threonine to a glutamate can convert these enzymes into peroxygenases that utilise hydrogen peroxide (H2O2). Here, we use the T252E‐CYP199A4 variant to study peroxide‐driven oxidation activity by using H2O2 and urea‐hydrogen peroxide (UHP). We demonstrate that the T252E variant has a higher stability to H2O2 in the presence of substrate that can undergo carbon‐hydrogen abstraction. This peroxygenase variant could efficiently catalyse O‐demethylation and an enantioselective epoxidation reaction (94 % ee). Neither the monooxygenase nor peroxygenase pathways of the P450 demonstrated a significant kinetic isotope effect (KIE) for the oxidation of deuterated substrates. These new peroxygenase variants offer the possibility of simpler cytochrome P450 systems for selective oxidations. To demonstrate this, a light driven H2O2 generating system was used to support efficient product formation with this peroxygenase enzyme.
A circular dichroism study of the protective role of polyphosphoesters polymer chains in polyphosphoester‐myoglobin conjugates
Authors: Pelosi Chiara , Arrico Lorenzo , Zinna Francesco , Wurm Frederik R. , Di Bari Lorenzo , Tinè Maria R. 
Published: June 2022

AbstractProtein‐polymer conjugates are a blooming class of hybrid systems with high biomedical potential. Despite a plethora of papers on their biomedical properties, the physical–chemical characterization of many protein‐polymer conjugates is missing. Here, we evaluated the thermal stability of a set of fully‐degradable polyphosphoester‐protein conjugates by variable temperature circular dichroism, a common but powerful technique. We extensively describe their thermodynamic stability in different environments (in physiological buffer or in presence of chemical denaturants, e.g., acid or urea), highlighting the protective role of the polymer in preserving the protein from denaturation. For the first time, we propose a simple but effective protocol to achieve useful information on these systems in vitro, useful to screen new samples in their early stages.
Silver‐Mediated Squaric Acid Reduction as a Facile, Ambient‐temperature and Seedless Route to Tunable Bimetallic Au/Ag Nanostars and Nanosnowflakes
Authors: Kist Jennifer A. , Essner Jeremy B. , Woodward Jonathan D. , Baker Gary A. 
Published: June 2022

AbstractBimetallic Au/Ag nanoparticles were successfully synthesized using a facile and reproducible method involving rapid, room‐temperature mixing of aqueous solutions of HAuCl4 and AgNO3 in the presence of squaric acid as both the reducing agent and surface capping ligand. Variation in the initial Au : Ag molar ratio yielded a tunable anisotropic shape and affiliated surface plasmon resonance. The nanoparticles displayed excellent stability in water for at least 10 weeks and showed robust catalytic activity in the borohydride‐assisted reduction of the model substrate 4‐nitrophenol.
Review of the Chinese Landscape in Phase 1 Clinical Trials for Noncancer Innovative Drugs Over 2015 to 2020
Authors: Wu Xiaofei , Zhang Fan , Yu Mengyang , Wang Hongyun 
Published: June 2022

AbstractIn recent years, the research and development (R&D) of innovative drugs in China has been dramatically accelerated. And the early clinical study is crucial for drug R&D. However, little is known involving the change of phase I trials for noncancer drugs. We retrieved the data of phase I clinical trials for noncancer innovative drugs on the Registration and Information Disclosure Platform for Drug Clinical Studies on the Center for Drug Evaluation. The number of clinical trials proliferating in recent years and the average annual growth rates of chemical and biological drugs were 55.5% and 42.1%, respectively. Most trials were distributed in Beijing, Shanghai, and other developed coastal cities. Moreover, the clinical trials of innovative drugs in China were focused on the digestive and endocrine systems, whereas the pediatric and orphan drugs were scarce. Based on the data assessment, this work provided comprehensive analysis and suggestions about Chinese drug R&D. Significant advancement has been made in mainland China with the implementation of available policies and the emergence of advanced technologies. Though shortcomings, including uneven geographic distribution and lack of pediatric and orphan drugs, still exist, we believe progress will continue to be made in mainland China.
Ziritaxestat Drug–Drug Interaction with Oral Contraceptives: Role of SULT1E1 Inhibition
Authors: Helmer Eric , Karimian Negin , Van Assche Karen , Seghers Ineke , Le Tallec Sandrine , Cherala Ganesh , Scott Graham , Namour Florence S. 
Published: June 2022

In vitro signals indicate that ziritaxestat is a weak cytochrome P450 (CYP) 3A4 inhibitor and inducer. Therefore, potential drug–drug interactions (DDIs) with oral contraceptives were examined at a time when ziritaxestat was under development for treatment of fibrotic diseases. This open‐label, crossover (fixed sequence) DDI study enrolled healthy, nonpregnant women aged 18–65 years (n = 15) who were using highly effective contraception, such as a nonhormonal intrauterine device, bilateral tubal occlusion, or sexual abstinence. A single dose of oral contraceptive (0.03 mg ethinyl estradiol (EE) and 3 mg drospirenone (DRSP)) was administered on days 1, 8, and 18, and ziritaxestat 600 mg once daily was administered from days 8 to 23. Co‐administration resulted in a 2.8‐fold and 2.4‐fold increase in EE maximum plasma concentration (Cmax) and area under the plasma drug concentration–time curve from time zero to infinity (AUC0–inf), respectively (day 18 vs. day 1). DRSP Cmax and AUC0–inf increased by 1.1‐fold and 1.2‐fold, respectively. DRSP is a CYP3A4 substrate, meaning increased EE exposure with ziritaxestat was not due to CYP3A4 inhibition. Ziritaxestat inhibition of EE glucuronidation and sulfation was quantified by liquid chromatography with tandem mass spectrometry in day 1 and day 18 plasma samples after EE conjugate hydrolysis. The ratio of EE AUC from time of administration up to the time of the last quantifiable concentration (AUClast) with/without hydrolysis by arylsulfatase was substantially lower on day 18 vs. day 1, suggesting ziritaxestat is a potent inhibitor of sulfation; EE glucuronidation was largely unaffected by ziritaxestat. In vitro assessment confirmed ziritaxestat is a potent inhibitor of sulfotransferase family 1E member 1 (half‐maximal inhibitory concentration < 0.8 μM). These findings highlight the importance of assessing enzymes other than CYP3A4 when investigating potential DDIs with oral contraceptives.
CUT&RUN for Chromatin Profiling in Caenorhabditis elegans
Authors: Emerson Felicity J. , Lee Siu Sylvia 
Published: June 2022

AbstractCleavage under targets and release using nuclease (CUT&RUN) is a recently developed chromatin profiling technique that uses a targeted micrococcal nuclease cleavage strategy to obtain high‐resolution binding profiles of protein factors or to map histones with specific post‐translational modifications. Due to its high sensitivity, CUT&RUN allows quality binding profiles to be obtained with only a fraction of the starting material and sequencing depth typically required for other chromatin profiling techniques such as chromatin immunoprecipitation. Although CUT&RUN has been widely adopted in multiple model systems, it has rarely been utilized in Caenorhabditis elegans, a model system of great importance to genomic research. Cell dissociation techniques, which are required for this approach, can be challenging in C. elegans due to the toughness of the worm's cuticle and the sensitivity of the cells themselves. Here, we describe a robust CUT&RUN protocol for use in C. elegans to determine the genome‐wide localization of protein factors and specific histone marks. With a simple protocol utilizing live, uncrosslinked tissue as the starting material, performing CUT&RUN in worms has the potential to produce physiologically relevant data at a higher resolution than chromatin immunoprecipitation. This protocol involves a simple dissociation step to uniformly permeabilize worms while avoiding sample loss or cell damage, resulting in high‐quality CUT&RUN profiles with as few as 100 worms and detectable signal with as few as 10 worms. This represents a significant advancement over chromatin immunoprecipitation, which typically uses thousands or hundreds of thousands of worms for a single experiment. The protocols presented here provide a detailed description of worm growth, sample preparation, CUT&RUN workflow, library preparation for high‐throughput sequencing, and a basic overview of data analysis, making CUT&RUN simple and accessible for any worm lab. © 2022 Wiley Periodicals LLC.Basic Protocol 1: Growth and synchronization of C. elegansBasic Protocol 2: Worm dissociation, sample preparation, and optimizationBasic Protocol 3: CUT&RUN chromatin profilingAlternate Protocol: Improving CUT&RUN signal using a secondary antibodyBasic Protocol 4: CUT&RUN library preparation for Illumina high‐throughput sequencingBasic Protocol 5: Basic data analysis using Linux