bluuebunny/crossref_metadata_2025_split huggingface dataset:
Application of Box–Behnken Design and Desirability Function in the Development and Optimization of Stealth Liposomes of Microtubule Inhibitor
Authors: Rao Bandaru Lakshmi Narayana , Krishnan S. Parimala , Reddy Challa Balashekar 
Published: November 2021

Aims: The aim of the present study was to develop and optimize a Stealth Liposomal Drug Delivery System of microtubule inhibitor using Box–Behnken Design and Desirability function.
Study Design: Development and Optimization of Stealth Liposomes.
Place and Duration of Study: The study was carried out in the Department of Pharmacy, Annamalai University, between September 2020 and May 2021.
Methodology: Stealth Liposomes were prepared by the thin-film hydration method (TFH). The formulation was optimized using Box – Behnken design to study the effect of independent variables, Amount of Egg Phosphatidylcholine (X1), Amount of Cholesterol (X2), and Amount of DSPE-PEG 2000(X3) on dependent variables Entrapment Efficiency (Y1) and In-vitro drug release (Y2).
Results: Entrapment efficiency of the Stealth Liposomes ranges from 56.35 to 84.25%and in-vitro release ranges from 62.38 to 94.26%. The optimized formulation was found using the desirability function to get maximum entrapment with maximum drug release. The optimized formulation showed entrapment efficiency of 80.46% and in-vitro release of 90.11%.
Conclusion: Stealth Liposomal Drug Delivery System for microtubule inhibitor was successfully developed and optimized using desirability function in Design Expert software by a three-factor, three level Box – Behnken design.
Detect Drug Interactions with Metronidazole
Authors: Dighriri Ibrahim , Mobarki Ahmed , Althomali Naif , Alqurashi Khalid , Daghriri Othman , Howimel Bashaer Bin , Alahmad Izdihar , Alsaadi Rawan , Alsufyani Manar , Balobade Manar , Altemani Reem , Alatawi Bayader , Sharoufna Wejdan , Almuntashiri Taif , Almushawwah Sultan 
Published: November 2021

Introduction: Metronidazole has been prescribed to treat infections for over a century and continues to be helpful in the therapy of amoebiasis, trichomoniasis, and giardiasis. Metronidazole is a cost-effective medication because of its low price, few adverse effects, and favorable pharmacokinetic and pharmacodynamic properties; nevertheless, it interacts with a wide variety of other medications. Some interactions with other medicines diminish its effectiveness, while others increase it.
Aims: The study aims to detect and evaluate metronidazole interactions with other medicines at King Abdulaziz Specialist Hospital.
Methodology: This retrospective study encompasses the review of 360 computerized prescriptions inside the outpatient clinic at King Abdulaziz Specialist Hospital in Saudi Arabia between March and September 2020 to detect and evaluate interactions among metronidazole and different medications.
Results: Metronidazole interactions are mostly major or moderate. Metronidazole had the most common interactions with domperidone (15.83 %), famotidine (13.89 %), and ciprofloxacin (11.67 %). Metronidazole contains a nitroimidazole ring, which suppresses the metabolism in the liver of numerous medications, including those that may be metabolized by the CYP3A4 and/or CYP450 2C9 isoenzymes. The combination of metronidazole with phenytoin or phenobarbital can cause metronidazole elimination to be accelerated and phenytoin clearance to be reduced. Metronidazole may improve warfarin's anticoagulant effects, leading to a longer prothrombin time and a higher risk of bleeding. Concurrent use of metronidazole with alfuzosin, escitalopram, and ondansetron may raise the risks of QT-interval prolongation and arrhythmias.
Conclusion: Most metronidazole drug interactions can be avoided by following excellent clinical care and clinical pharmacology concepts, such as avoiding complex treatment regimens, educating patients. and identifying patient risk factors. Furthermore, before prescribing and dispensing medicines, physicians and pharmacists should utilize drug-drug interactions checkers such as Micromedex and Lexicomp or a book such as Stockley's Drug Interactions.
Microfluidic‐Generated Biopolymer Microparticles as Cargo Delivery Systems
Authors: Chen Zhuo , Lan Yang , Ling Si‐Da , Dong Yu‐Hang , Wang Yun‐Dong , Xu Jian‐Hong 
Published: November 2021

AbstractDroplet microfluidics offers precise and simultaneous control of multiple fluids at microscale, which enables synthesis of novel microparticles with compositional and structural diversity in a controllable way. The morphology and functionality of generated microparticles can be well designed by modulating the hydrodynamic profile as well as geometric structures. The synergistic combination of droplet microfluidics with biodegradable materials makes it possible to encapsulate actives/drugs inside microparticles at high efficiency for drug delivery. The utilization of these microfluidic‐generated microparticles with the characteristics of easy biodegradability and good biocompatibility in the field of drug delivery has made considerable progress in recent years. In this review, the commonly used structures of microchannel and methods to generate microparticles with droplet microfluidics are introduced. In addition, recent advances of biodegradable microparticles in the application of drug delivery are discussed and summarized with the focus on two kinds of biopolymers for preparing biodegradable microspheres, natural biopolymers, and synthetic biopolymers. Next, environment‐sensing microencapsulation systems have been discussed because of their ability to release drug upon external stimulation, thereby allowing on‐demand drug delivery. Finally, current challenges of utilizing microparticles in drug delivery are pointed out and some perspectives for the future direction in research and applications are provided.
Small Molecule Approach to Passivate Undercoordinated Ions in Perovskite Light Emitting Diodes: Progress and Challenges
Authors: Lee Ji Yeong , Kim Seo Yeon , Yoon Hyo Jae 
Published: November 2021

AbstractPerovskite light‐emitting diodes (PeLEDs) hold promise for the development of next‐generation display and light technologies; however, various problems related to factors such as external quantum efficiency (EQE), long‐term stability, and dependence on toxic species hinder their successful debut in display and lighting markets. Research on PeLEDs involving the small‐molecule approach—the incorporation of small organic molecules into or onto active perovskite layers in PeLEDs for mitigating the aforementioned issues—has burgeoned in the last eight years. This review covers recent advances and challenges in the small‐molecule approach by i) surveying the chemical structures used in the small‐molecule approach, ii) summarizing the methods of molecular insertion into PeLED devices, iii) comprehensively discussing the effects of small‐molecule‐based interfacial engineering and passivation of undercoordinated metal and halide ions on the photophysical functions of devices and their mechanisms, iv) emphasizing the small‐molecule‐induced enhanced performance of devices in the context of long‐term stability and EQE, and v) providing perspectives and discussing challenges for future research.
Ultrahigh Color Rendering in RGB Perovskite Micro‐Light‐Emitting Diode Arrays with Resonance‐Enhanced Photon Recycling for Next Generation Displays
Authors: Liang Jie , Du Yuxiang , Wang Kang , Ren Ang , Dong Xinyu , Zhang Chunhuan , Tang Ji , Yan Yongli , Zhao Yong Sheng 
Published: November 2021

AbstractLight sources with high color purity are promising for revolutionizing traditional displays because of their wide achievable color gamut, high contrast ratio, and good color saturation. The demand for next‐generation displays has driven the development of the optoelectronic materials with narrow linewidth. Until now, most optoelectronic materials usually give emission with full width at half maximum exceeding 30 nm. The lack of a general approach to further improving the color purity has limited their applications for next‐generation displays. Here, a universal resonance‐enhanced photon recycling strategy is developed to realize current‐driven displays with unprecedented high color rendering based on the perovskite light‐emitting diode (LED) arrays in distributed Bragg reflector (DBR) cavity. Benefiting from the outstanding optoelectronic properties and solution processability, perovskites are processed into micro‐LED arrays through a screen‐printing technology. The light output from individual micro‐LED is strongly modulated by resonance‐enhanced photon recycling derived from the cavity structure, leading to significant spectral narrowing and directional emission. On this basis, unprecedented high‐color‐purity is achieved in a prototype of current‐driven display panels. The outstanding performance of red, green, and blue (RGB) micro‐LED arrays with resonance‐enhanced photon recycling provides a deep insight into the design concepts and device structures for next‐generation display technology.
Flexible Alternating‐Current Electroluminescence Plunging to Below 1 Hz Frequency by Triboelectrification
Authors: Sun Yanshuo , Zhu Laipan , Yang Jin , Zhang Jianjun , Chen Baodong , Wang Zhong Lin 
Published: November 2021

AbstractLow frequency, portable power source is one of the key challenges for applications of wearable alternating‐current electroluminescent (ACEL) device because it typically requires a working frequency above 500 Hz. Here, an extremely low frequency self‐powered ACEL system is proposed, which consists of a vertical contact‐separation triboelectric nanogenerator and a self‐made flexible ACEL device. It achieves directly‐driven electroluminescence phenomenon in real‐time by triboelectrification and works completely self‐powered through converting kinetic energy of human body into electricity. The working frequency has fallen from 500 to 1 Hz, i.e., the real frequency needed for electroluminescence has dropped 500 times, which is due to the favorable low‐frequency high‐voltage advantages of the triboelectric nanogenerator. It delivers a stabilized open‐circuit voltage of 160 V and a short‐circuit current of 6 µA for applied force of 0.1 N. Meanwhile, a strong blueshift is also observed experimentally with the change of working frequency. Furthermore, a self‐powered medical protective gown is demonstrated that is real‐time monitoring both the temperature and humidity. This work breaking the bottleneck of high‐frequency driving, demonstrates the great potential of self‐powered ACEL systems in wearable electronics and medical health.
ScaffComb: A Phenotype‐Based Framework for Drug Combination Virtual Screening in Large‐Scale Chemical Datasets
Authors: Ye Zhaofeng , Chen Fengling , Zeng Jiangyang , Gao Juntao , Zhang Michael Q. 
Published: November 2021

AbstractCombinational therapy is used for a long time in cancer treatment to overcome drug resistance related to monotherapy. Increased pharmacological data and the rapid development of deep learning methods have enabled the construction of models to predict and screen drug pairs. However, the size of drug libraries is restricted to hundreds to thousands of compounds. The ScaffComb framework, which aims to bridge the gaps in the virtual screening of drug combinations in large‐scale databases, is proposed here. Inspired by phenotype‐based drug design, ScaffComb integrates phenotypic information into molecular scaffolds, which can be used to screen the drug library and identify potent drug combinations. First, ScaffComb is validated using the US food and drug administration dataset and known drug combinations are successfully reidentified. Then, ScaffComb is applied to screen the ZINC and ChEMBL databases, which yield novel drug combinations and reveal an ability to discover new synergistic mechanisms. To our knowledge, ScaffComb is the first method to use phenotype‐based virtual screening of drug combinations in large‐scale chemical datasets.
Improved Protein Structure Prediction Using a New Multi‐Scale Network and Homologous Templates
Authors: Su Hong , Wang Wenkai , Du Zongyang , Peng Zhenling , Gao Shang‐Hua , Cheng Ming‐Ming , Yang Jianyi 
Published: November 2021

AbstractThe accuracy of de novo protein structure prediction has been improved considerably in recent years, mostly due to the introduction of deep learning techniques. In this work, trRosettaX, an improved version of trRosetta for protein structure prediction is presented. The major improvement over trRosetta consists of two folds. The first is the application of a new multi‐scale network, i.e., Res2Net, for improved prediction of inter‐residue geometries, including distance and orientations. The second is an attention‐based module to exploit multiple homologous templates to increase the accuracy further. Compared with trRosetta, trRosettaX improves the contact precision by 6% and 8% on the free modeling targets of CASP13 and CASP14, respectively. A preliminary version of trRosettaX is ranked as one of the top server groups in CASP14's blind test. Additional benchmark test on 161 targets from CAMEO (between Jun and Sep 2020) shows that trRosettaX achieves an average TM‐score ≈0.8, outperforming the top groups in CAMEO. These data suggest the effectiveness of using the multi‐scale network and the benefit of incorporating homologous templates into the network. The trRosettaX algorithm is incorporated into the trRosetta server since Nov 2020. The web server, the training and inference codes are available at: https://yanglab.nankai.edu.cn/trRosetta/.
Electrochemical Reduction of CO2 to CO over Transition Metal/N‐Doped Carbon Catalysts: The Active Sites and Reaction Mechanism
Authors: Liang Shuyu , Huang Liang , Gao Yanshan , Wang Qiang , Liu Bin 
Published: November 2021

AbstractElectrochemical CO2 reduction to value‐added chemicals/fuels provides a promising way to mitigate CO2 emission and alleviate energy shortage. CO2‐to‐CO conversion involves only two‐electron/proton transfer and thus is kinetically fast. Among the various developed CO2‐to‐CO reduction electrocatalysts, transition metal/N‐doped carbon (M‐N‐C) catalysts are attractive due to their low cost and high activity. In this work, recent progress on the development of M‐N‐C catalysts for electrochemical CO2‐to‐CO conversion is reviewed in detail. The regulation of the active sites in M‐N‐C catalysts and their related adjustable electrocatalytic CO2 reduction performance is discussed. A visual performance comparison of M‐N‐C catalysts for CO2 reduction reaction (CO2RR) reported over the recent years is given, which suggests that Ni and Fe‐N‐C catalysts are the most promising candidates for large‐scale reduction of CO2 to produce CO. Finally, outlooks and challenges are proposed for future research of CO2‐to‐CO conversion.
Ionic Diffusion‐Driven Ionovoltaic Transducer for Probing Ion‐Molecular Interactions at Solid–Liquid Interface
Authors: Han Junghyup , Yoon Sun Geun , Lee Won Hyung , Jin Huding , Cho Yong Hyun , Kim Youn Sang 
Published: November 2021

AbstractIon–solid surface interactions are one of the fundamental principles in liquid‐interfacing devices ranging from various electrochemical systems to electrolyte‐driven energy conversion devices. The interplays between these two phases, especially containing charge carriers in the solid layer, work as a pivotal role in the operation of these devices, but corresponding details of those effects remain as unrevealed issues in academic fields. Herein, an ion–charge carrier interaction at an electrolyte–semiconductor interface is interrogated with an ion‐dynamics‐induced (ionovoltaic) energy transducer, controlled by interfacial self‐assembled molecules. An electricity generating mechanism from interfacial ionic diffusion is elucidated in terms of the ion–charge carrier interaction, originated from a dipole potential effect of the self‐assembled molecular layer (SAM). In addition, this effect is found to be modulated via chemical functionalization of the interfacial molecular layer and transition metal ion complexation therein. With the aiding of surface analytic techniques and a liquid‐interfacing Hall measurement, electrical behaviors of the device depending on the magnitude of the ion‐ligand complexation are interrogated, thereby demonstrating the ion–charge carrier interplays spanning at electrolyte–SAM‐semiconductor interface. Hence, this system can be applied to study molecular interactions, including chemical and physical influences, occurring at the solid–liquid interfacial region.
Transcriptome analysis ofElymus breviaristatus‘Tongde’ under different nitrogen treatments
Authors: Yao Youhua , An Likun , Yao Xiaohua , Bai Yixiong , Li Xin , Li Xilai 
Published: November 2021

AbstractElymus breviaristatus‘Tongde’ is used for establishing artificial grasslands and is important for maintaining the balanced grassland ecosystem and for soil water conservation on the Qinghai–Tibet Plateau, China. Nitrogen (N) is an important element that affects Tongde development. Thus, we investigated the rational application of N and the molecular mechanism involved. Transcriptome analysis (RNA‐Seq) was conducted using Tongde leaf and root samples produced under controlled conditions with different NH4NO3treatments (0, 40, 80, and 160 mg L–1). Differentially expressed genes (DEGs) were determined in the leaf and root tissues (0/40 vs. 80/160 mg L–1). We identified 109 DEGs in the leaf samples with 41 upregulated and 68 downregulated genes and 325 DEGs in the root samples with 71 upregulated and 252 downregulated genes. Analysis based on Gene Ontology enrichment and Kyoto Encyclopedia of Genes and Genomes pathways indicated that members of the LOX and ELIP families were regulated by the NH4NO3concentration in the leaves, probably because the high N concentration promoted plant growth. In the root samples, ribosomal proteins were mainly regulated and may have affected sieve tube transport regulation or stress resistance. Changes in the expression levels ofNTRandNRfamily genes corresponded directly to N levels, indicating their important roles as regulatory genes. Nitrogen stress tolerance should be investigated further to understand the importance of N for Tongde development.
Vapor‐phase polymerization of high‐performance thin‐film composite membranes for nanofiltration
Authors: Li Wanbin , Yang Zhe , Yang Wulin , Guo Hao , Tang Chuyang Y. 
Published: November 2021

AbstractThin‐film composite (TFC) membranes are commendable semipermeable barriers for water treatment. Although conventionally immiscible interfaces between aqueous and organic solutions are widely utilized for obtaining TFC membranes, interfacial polymerization still suffers from the issues of harmful solvents, complex diffusion/reaction of the reactants, and thermodynamic and kinetic instability of interfaces. In this study, vapor‐phase polymerization with no requirements for organic solvent and immiscible interface is utilized for processing TFC nanofiltration membranes. Through cross‐linking ofβ‐cyclodextrin and piperazine layers by trimesoyl chloride vapor, polyester and polyamide TFC membranes with high cross‐linking degree are simply prepared in a scalable and reproducible manner. The prepared TFC membranes exhibit stable nanofiltration and desalination performance for all water, organic solvent, and water–organic mixture systems, with permeance up to an order of magnitude higher than that of commercial membranes.
Perceived monoracism and psychological adjustment of multiracial adults: The roles of racially diverse contexts and creating third space
Authors: Gabriel Abigail K. , Yoo Hyung Chol , Jackson Kelly F. , Guevarra Rudy P. 
Published: November 2021

AbstractAcross two studies, we examined whether racially diverse contexts in combination with creating a third (multiracial) space played a protective role in the association between perceived monoracism and psychological adjustment for multiracial adults. Study 1 participants (N = 263; 77.8% female, Mage = 32.16 years) were recruited from national multiracial organizations and completed an online cross‐sectional survey in 2009. Study 2 participants (N = 1478; 56.2% female, Mage = 48.89 years) were recruited by the Pew Research Center and completed a nationally representative survey in 2015. Results indicated significant three‐way interaction effects on psychological adjustment, with differential effects depending on the types of perceived monoracism. Specifically, when subjective racial diversity was high, creating a third space buffered against the deleterious effects of multiracial discrimination on distress, negative affect, and life satisfaction; while it exacerbated the link between perceived racial ambiguity and negative affect. This study provides empirical evidence for the importance of using an ecological framework when examining multiracial identity and experiences. Results also highlight the need to move beyond conceptualizing and measuring multiracial experiences as dichotomous risks or resiliencies. Rather, we should aim to understand multiracial experiences as either promoting or inhibiting across contexts, time, and individual characteristics.
Roxadustat for the treatment of anemia in patients with lower‐risk myelodysplastic syndrome: Open‐label, dose‐selection, lead‐in stage of a phase 3 study
Authors: Henry David H. , Glaspy John , Harrup Rosemary , Mittelman Moshe , Zhou Amy , Carraway Hetty E. , Bradley Charles , Saha Gopal , Modelska Katharina , Bartels Pamela , Leong Robert , Yu Kin‐Hung P. 
Published: November 2021

AbstractAnemia is the predominant cytopenia in myelodysplastic syndromes (MDS) and treatment options are limited. Roxadustat is a hypoxia‐inducible factor prolyl hydroxylase inhibitor approved for the treatment of anemia of chronic kidney disease in the UK, EU, China, Japan, South Korea, and Chile. MATTERHORN is a phase 3, randomized, double‐blind, placebo‐controlled study to assess the efficacy and safety of roxadustat in anemia of lower risk‐MDS. Eligible patients had baseline serum erythropoietin ≤ 400 mIU/mL, and a low packed RBC transfusion burden. In this open‐label (OL), dose‐selection, lead‐in phase, enrolled patients were assigned to 1 of 3 roxadustat starting doses (n = 8 each): 1.5, 2.0, and 2.5 mg/kg. The primary efficacy endpoint of the OL phase was the proportion of patients with transfusion independence (TI) for ≥ 8 consecutive weeks in the first 28 treatment weeks. A secondary efficacy endpoint was the proportion of patients with a ≥ 50% reduction in RBC transfusions over an 8‐week period compared with baseline. Adverse events were monitored. Patients were followed for 52 weeks. Of the 24 treated patients, TI was achieved in 9 patients (37.5%) at 28 and 52 weeks; 7 of these patients were receiving 2.5 mg/kg dose when TI was achieved. A ≥ 50% reduction in RBC transfusions was achieved in 54.2% and 58.3% of patients at 28 and 52 weeks, respectively. Oral roxadustat dosed thrice weekly was well tolerated. There were no fatalities or progression to acute myeloid leukemia. Based on these outcomes, 2.5 mg/kg was the chosen starting roxadustat dose for the ongoing double‐blind study phase.