bluuebunny/crossref_metadata_2025_split huggingface dataset:
Quality by design with design of experiments approach for development of a stability‐indicating LC method for enzalutamide and its impurities in soft gel dosage formulation
Authors: Katakam Lakshmi Narasimha Rao , Dongala Thirupathi , Ettaboina Santhosh Kumar 
Published: January 2021

AbstractA novel ultra‐performance liquid chromatographic (UPLC) method has been developed and approved for the quantitative determination of enzalutamide (ENZ) and its impurities in drug product dosage form by applying the quality by design with design of experiments approach. An efficient chromatographic separation was achieved on a Waters ACQUITY CSH C18(100 × 2.1 mm × 1.7 μm) column in gradient elution mode. A mixture of potassium phosphate monobasic buffer and acetonitrile (10 mm, adjusted to pH 4.0 with 1% orthophosphoric acid) at a flow rate of 0.2 mL min−1(column temperature at 40°C) under ultraviolet detection at 270 nm was used for quantitation. The peak resolution among ENZ and its impurities (Impurity‐1, Impurity‐2, Impurity‐3, Impurity‐4, Impurity‐5, Impurity‐6 and Impurity‐7) was greater than 2.5. Regression analysis confers anR2value (correlation coefficient) higher than 0.999 for the active substance and impurities. The detection level for ENZ impurities was at a level below 0.015% (0.12 μg/mL). The accuracy levels for different compounds were close to 100%. The inter‐ and intra‐day precisions for ENZ and impurities were evaluated and their relative standard deviation (%) values were less than 3.5. Our results show that the UPLC–UV stability‐indicating method will be an essential tool that could determine the drug product’s impurities and be useful in regular quality control and stability studies of the ENZ drug product dosage form.
Offering flexible working opportunities to people with mental disabilities: The missing link between sustainable development goals and financial implications
Authors: Warmate Zoe , Eldaly Mohamed Khaled , Elamer Ahmed A. 
Published: January 2021

AbstractA global response to Covid‐19 pandemic has triggered issues related to stress and social restrictions; thus, mental health is seen as a particular area of concern for social well‐being for both policymakers and corporate regulators/companies. Given that mental health intersects with most, if not all, of the 17 sustainable development goals (SDGs), this research brought to light issues surrounding employment of people with mental disabilities (PWMDs) and the financial merits of employing them. An online survey was administered to PWMDs to elicit what possible flexible opportunities could enable them to gain or stay at work. Interviews were also conducted with human resource managers and financial managers. Our results show that there are currently no flexible working opportunities available for PWMDs, which could enable them work effectively to improve both self and general economic growth. The findings of this study will enable employers to explore the financial benefits of employing PWMDs and also aid the government to create better policies to boost employers' commitment to employing PWMDs and achieve some of the UN SDGs.
Which factors distinguish the different consumer segments of green fast‐moving consumer goods in Germany?
Authors: Niedermeier Andreas , Emberger‐Klein Agnes , Menrad Klaus 
Published: January 2021

AbstractConsumer segmentation is an important tool for dealing with the often strongly differing consumer preferences in many markets for fast‐moving consumer goods. Therefore, this study analyses the factors that can distinguish the different consumer segments for green all‐purpose adhesives in Germany. On the basis of an online survey with 709 respondents, we performed a choice experiment and segmented consumers based on their preferences for this product. We identified six consumer segments of which in particular Green Consumer Value, Perceived Consumer Effectiveness and Trust separate eco‐friendly consumers from the other groups. Our results give a deeper insight into the different consumer segments for green fast‐moving consumer goods and facilitate the development of business and marketing strategies in a more targeted way.
Prognostic significance of serum inflammation indexes in different Lauren classification of gastric cancer
Authors: Yin Xin , Fang Tianyi , Wang Yimin , Wang Yufei , zhang Daoxu , Li Chunfeng , Xue Yingwei 
Published: January 2021

AbstractBackgroundInflammatory indexes are considered to be potential prognostic biomarkers for patients with gastric cancer (GC). However, little evidence has defined the prognostic significance of inflammatory indexes for GC with different Lauren classification.MethodsA total of 852 patients with GC were randomly selected consecutively into intestinal type and diffuse/mixed type groups. Group bias was reduced by propensity score matching. The cutoff values of inflammatory indexes were analyzed by receiver operating characteristic curve. The Kaplan–Meier method and log‐rank test were used to analyze the overall survival (OS). The chi‐square test was used to analyze the association between inflammatory indexes and clinical characteristics. The independent risk factor for prognosis in each group was analyzed by univariate and multivariate analyses based on logistic regression. The nomogram models were constructed by R studio.ResultsIntestinal type GC patients (p < 0.05) had a lower percentage of neutrophils in stage I, higher percentage of neutrophils and higher platelet count in stage Ⅲ (p < 0.05). Systemic immune‐inflammation index (SII) (p < 0.001), pTNM stage (p < 0.001), and postoperative chemotherapy (p = 0.002) were independent risk factors for prognosis in the intestinal type group. Platelet–lymphocyte ratio (PLR) (p < 0.001) and pTNM stage (p = 0.001) were independent risk factors for prognosis in the diffuse/mixed type group. The area under the curve of the nomogram model in predicting 5‐year prognosis in the intestinal type group and diffuse/mixed type group were 0.807 and 0.788, respectively.ConclusionSII combined with postoperative chemotherapy and pTNM stage were used to construct a nomogram model to predict the prognosis of intestinal type GC. PLR combined with pTNM stage can be used to construct a nomogram model for diffuse/mixed type GC patients.
Delivery Mechanism of the Pharmaceutical Complex of Genistein‐Adenine Based on Spectroscopic and Molecular Modelling at Atomic Scale
Authors: Shao Yan , Zhao Xiao‐Xue , Guo Ming , Zheng Yi‐Lu , Wu Rong‐Hui , Pan Lan‐Ying 
Published: January 2021

AbstractGenistein (GS) exhibits various biological activities, but its clinical application is limited because of the low bioavailability. In this study, a GS‐adenine pharmaceutical complex was prepared through solvent evaporation to improve the bioavailability of GS, and a molecular model of a two‐component supramolecular pharmacological transport mechanism was established. The structure of GS‐adenine was characterized, in addition, interaction patterns between GS and adenine were investigated using density functional theory. The results showed that the solubility of GS‐adenine was five times higher than that of GS, and the cumulative release rate of GS‐adenine was 86 %. The results of fluorescence spectroscopy and molecular dynamic simulations showed that GS‐adenine bound to the Sudlow's site I of HSA mainly through hydrophobic interactions. This study provides a useful reference for synthesizing pharmaceutical complexes to improve solubility and for exploring the mechanism of multiple pharmaceutical components in vivo.
Organomercury Nucleic Acids: Past, Present and Future
Authors: Ukale Dattatraya , Lönnberg Tuomas 
Published: January 2021

AbstractSynthetic efforts towards nucleosides, nucleotides, oligonucleotides and nucleic acids covalently mercurated at one or more of their base moieties are summarized, followed by a discussion of the proposed, realized and abandoned applications of this unique class of compounds. Special emphasis is given to fields in which active research is ongoing, notably the use of HgII‐mediated base pairing to improve the hybridization properties of oligonucleotide probes. Finally, this minireview attempts to anticipate potential future applications of organomercury nucleic acids.
Single‐Step and Sustainable Fabrication of Ni(OH)2/Ni Foam Water Splitting Catalysts via Electric Field Assisted Pulsed Laser Ablation in Liquid
Authors: Saraj Chaudry Sajed , Singh Subhash C. , Shukla Abhishek , Yu Weili , Fayyaz M. Umer , Guo Chunlei 
Published: January 2021

AbstractThe prevailing barrier to produce hydrogen from water splitting is disappointingly sluggish kinetics. Furthermore, a lack of understanding of the key obstacle in the oxygen evolution reaction (OER), is an obstruction to the design of efficient water‐splitting electrocatalysts. Here, we present the single‐step and fast fabrication of ready‐made Ni(OH)2/nickel foam (NF) electrocatalysts for overall water splitting by using the environmentally friendly and sustainable approach of electric‐field‐assisted pulsed laser ablation in liquid for the generation of nanoparticles (NPs) and the simultaneous electrodeposition of the NPs on the NF substrate. The as‐fabricated electrocatalyst is found to be highly efficient and stable in alkaline medium for hydrogen evolution reaction (HER) and OER kinetics with remarkably low overpotentials of 187 mV (vs. RHE for HER) and 166 mV (vs. RHE for OER) to reach a current density of 20 mA cm−2, with HER and OER Tafel slopes of 82 and 69 mV dec−1, respectively. The two‐electrode electrochemical cell made of the bifunctional Ni(OH)2/NF electrocatalyst requires an overpotential as low as 168 mV to drive a 10 mA/cm2 current density over a long period. These results reveal the long‐term stability and activity of the Ni(OH)2)/NF electrocatalyst towards overall water (OW) splitting. The developed sustainable approach of electrocatalyst fabrication can be extended to a range of materials, beyond Ni(OH)2/NF, to boost a range of chemical reactions, beyond water splitting.
Mo2C/Reduced Graphene Oxide Composites with Enhanced Electrocatalytic Activity and Biocompatibility for Microbial Fuel Cells
Authors: Guo Wenxian , Chen Meiqiong , Liu Xiaoqing , Cheng Faliang , Lu Xihong 
Published: January 2021

AbstractA simple, cost‐effective strategy was developed to effectively improve the electron transfer efficiency as well as the power output of microbial fuel cells (MFCs) by decorating the commercial carbon paper (CP) anode with an advanced Mo2C/reduced graphene oxide (Mo2C/RGO) composite. Benefiting from the synergistic effects of the superior electrocatalytic activity of Mo2C, the high surface area, and prominent conductivity of RGO, the MFC equipped with this Mo2C/RGO composite yielded a remarkable output power density of 1747±37.6 mW m−2, which was considerably higher than that of CP‐MFC (926.8±6.3 mW m−2). Importantly, the composite also facilitated the formation of 3D hybrid biofilm and could effectively improve the bacteria–electrode interaction. These features resulted in an enhanced coulombic efficiency up 13.2 %, nearly one order of magnitude higher than that of the CP (1.2 %).
Diphosphanylmetallocenes of Main‐Group Elements
Authors: Müller Carsten , Warken Joshua , Huch Volker , Morgenstern Bernd , Bischoff Inga‐Alexandra , Zimmer Michael , Schäfer André 
Published: January 2021

AbstractSeveral 1,1′‐diphosphanyl‐substituted metallocenes of magnesium (magnesocenes) were synthesized, structurally characterized, and their reactivity and coordination chemistry were investigated. Transmetalation of these magnesocenes gives access to group 14 metallocenes (tetrelocenes), as well as to group 15 stibonocenes. These s‐ and p‐block metallocenes represent a novel class of bis(phosphanyl) ligands, exhibiting Lewis‐amphiphilic character. Their coordination chemistry towards different transition‐metal and main‐group fragments was investigated and different complexes are presented.
Carbohydrate‐Derived Metal‐Chelator‐Triggered Lipids for Liposomal Drug Delivery
Authors: Holmstrøm Thomas , Galsgaard Malle Mette , Wu Shunliang , Jensen Knud Jørgen , Hatzakis Nikos S. , Pedersen Christian Marcus 
Published: January 2021

AbstractLiposomes are versatile three‐dimensional, biomaterial‐based frameworks that can spatially enclose a variety of organic and inorganic biomaterials for advanced targeted‐delivery applications. Implementation of external‐stimuli‐controlled release of their cargo will significantly augment their wide application for liposomal drug delivery. This paper presents the synthesis of a carbohydrate‐derived lipid, capable of changing its conformation depending on the presence of Zn2+: an active state in the presence of Zn2+ ions and back to an inactive state in the absence of Zn2+ or when exposed to Na2EDTA, a metal chelator with high affinity for Zn2+ ions. This is the first report of a lipid triggered by the presence of a metal chelator. Total internal reflection fluorescence microscopy and a single‐liposome study showed that it indeed was possible for the lipid to be incorporated into the bilayer of stable liposomes that remained leakage‐free for the fluorescent cargo of the liposomes. On addition of EDTA to the liposomes, their fluorescent cargo could be released as a result of the membrane‐incorporated lipids undergoing a conformational change.
Quecksilber‐ und Feinstaubemissionen von Krematorien: Ein Überblick
Authors: Ohle Andrea , Köhler Martin , Graf Sven , Bernhardt Daniel , Beckmann Michael 
Published: January 2021

AbstractDie vorwiegend in urbanen Ballungsräumen liegenden Krematorien erfüllen die Emissionsgrenzwerte nach der 27. BImSchV meist zuverlässig. In dieser ist für die als gesundheitsschädlich eingestuften Substanzen Quecksilber (Hg) und Feinstaub kein Grenzwert angegeben. In diesem Beitrag wird der Stand des Wissens aus Publikationen und eigenen Untersuchungen zur Freisetzung von Quecksilber im Kremationsprozess und zur Situation der Feinstaubemissionen analysiert. Aus den dargestellten Wirkmechanismen der verschiedenen Abgasreinigungstechniken werden anschließend Optimierungsmöglichkeiten für die weitere Minderung der Emissionen von Hg und Feinstaub abgeleitet.
Advanced petroleum coke oxy‐combustion power generation with carbon capture and sequestration: Part I—Design and techno‐economic analysis
Authors: Okeke Ikenna J. , Adams Thomas A. 
Published: January 2021

AbstractThis study presents a first‐of‐its‐kind design and economic analysis of a petroleum coke oxy‐combustion electric power generation technology operated with and without carbon capture and sequestration. In this work, we examined three petroleum coke oxy‐combustion designs: petcoke oxy‐combustion, petcoke oxy‐combustion operated with carbon capture and sequestration (CCS), and petcoke oxy‐combustion with CO2 purification by distillation and CCS. The technical and economic performance of the designs were assessed based on thermal efficiency, CO2 capture rate, pipeline CO2 purity, CO2 emissions, and levelized cost of electricity (LCOE). The results of our assessments yielded a base‐case LCOE of $84.24/MWh for the petcoke oxy‐combustion design, $90.94/MWh for the petcoke oxy‐combustion design operated with CCS, and $102.8/MWh for petcoke oxy‐combustion with CO2 purification by distillation and CCS. Although the design that employed CO2 purification had higher LCOE than the other designs, its captured CO2 stream meets pipeline standards. Therefore, this design was selected for the proposed petroleum coke oxy‐combustion technology. Further analysis carried out includes the cradle‐to‐customer gate life‐cycle environmental impact assessment of the petcoke oxy‐combustion power plant which is presented in Part II of this work. Thus, this work represents the first study to present the eco‐technoeconomic and life‐cycle analysis that considered the impacts of O2 removal from CO2 captured from oxy‐combustion exhaust via cryogenic distillation for solid fuels in general.
Benzofuroxan Derivatives as Potent Agents against Multidrug‐Resistant Mycobacterium tuberculosis
Authors: Fernandes Guilherme F. S. , Campos Débora L. , Da Silva Isabel C. , Prates João L. B. , Pavan Aline R. , Pavan Fernando R. , Dos Santos Jean L. 
Published: January 2021

AbstractTuberculosis (TB) is currently the leading cause of death related to infectious diseases worldwide, as reported by the World Health Organization. Moreover, the increasing number of multidrug‐resistant tuberculosis (MDR‐TB) cases has alarmed health agencies, warranting extensive efforts to discover novel drugs that are effective and also safe. In this study, 23 new compounds were synthesized and evaluated in vitro against the drug‐resistant strains of M. tuberculosis. The compound 6‐((3‐fluoro‐4‐thiomorpholinophenyl)carbamoyl)benzo[c][1,2,5]oxadiazole 1‐N‐oxide (5 b) was particularly remarkable in this regard as it demonstrated MIC90 values below 0.28 μM against all the MDR strains evaluated, thus suggesting that this compound might have a different mechanism of action. Benzofuroxans are an attractive new class of anti‐TB agents, exemplified by compound 5 b, with excellent potency against the replicating and drug‐resistant strains of M. tuberculosis.
Do Cu Substrates Participate in Bi Electrocatalytic CO2 Reduction?
Authors: Li Menglu , Li Wenbo , Song Wentao , Wang Cheng , Yao Yingfang , Wu Congping , Luo Wenjun , Zou Zhigang 
Published: January 2021

AbstractBi based electrocatalysts for CO2 reduction have recently attracted much research attention. Although Cu substrates were mainly used in these material investigations, whether the Cu substrates act as the CO2 reduction electrocatalysts is questionable, and yet disregarded. Herein to comprehensively investigate the influence of Cu substrate on the electrochemical performance, we electro‐deposited Bi catalysts on Cu foams. It was found that during the whole process, the morphology and composition of Bi/Cu electrocatalysts varied, indicating that Cu acted as not only the electrode substrates but also the active materials for CO2 reduction. After optimization, Bi/Cu materials achieved high activity of 59.7 mA cm−2 and selectivity of 95% for CO2 converted formate. Our work provides experimental evidence for the material design and optimization of Bi‐based materials for CO2 reduction.
Site‐Selective Real‐Time Observation of Bimolecular Electron Transfer in a Photocatalytic System Using L‐Edge X‐Ray Absorption Spectroscopy**
Authors: Britz Alexander , Bokarev Sergey I. , Assefa Tadesse A. , Bajnóczi Èva G. , Németh Zoltán , Vankó György , Rockstroh Nils , Junge Henrik , Beller Matthias , Doumy Gilles , March Anne Marie , Southworth Stephen H. , Lochbrunner Stefan , Kühn Oliver , Bressler Christian , Gawelda Wojciech 
Published: January 2021

AbstractTime‐resolved X‐ray absorption spectroscopy has been utilized to monitor the bimolecular electron transfer in a photocatalytic water splitting system. This has been possible by uniting the local probe and element specific character of X‐ray transitions with insights from high‐level ab initio calculations. The specific target has been a heteroleptic [IrIII(ppy)2(bpy)]+ photosensitizer, in combination with triethylamine as a sacrificial reductant and
as a water reduction catalyst. The relevant molecular transitions have been characterized via high‐resolution Ir L‐edge X‐ray absorption spectroscopy on the picosecond time scale and restricted active space self‐consistent field calculations. The presented methods and results will enhance our understanding of functionally relevant bimolecular electron transfer reactions and thus will pave the road to rational optimization of photocatalytic performance.
A Trimetallic Cobalt/Iron/Nickel Phytate Catalyst for Overall Water Splitting: Fabrication by Magnetic‐Field‐Assisted Bipolar Electrodeposition
Authors: Zhang Jinmei , Chen Xiaojuan , Gao Taotao , Wu Yi , Yang Yuting , Guo Yong , Xiao Dan 
Published: January 2021

AbstractElectrodeposition is an effective method to prepare various materials. We have established a bipolar electrodeposition system assisted by a constant magnetic field to fabricate a Co/Fe/Ni phytate catalyst with good electrocatalytic activity for overall water splitting. The effects of magnetic and electric fields on the catalytic properties of the material were studied. The catalyst prepared with an N‐pole magnetic field (NPMF) exhibited good overall water splitting performance. Benefiting from the synergistic effect of the Co/Fe/Ni‐phytate and the advantages of the N‐pole magnetic field the NPMF electrode has a continuous 25 hours high‐efficiency hydrogen evolution and oxygen evolution reaction at a current density of 100 mA cm−2 in1.0 M KOH compared with commercial RuO2 and Pt/C. Bipolar electrodeposition with a constant magnetic field is thus an efficient means to fabricate electrocatalytic water splitting catalysts.
Luminescent and Mechanical Properties of Cerium Doped Potassium Chloride Single Crystal
Authors: Li Yongtao , Li Yongju , Li Chun , Zhang Xuejian , Zeng Fanming , Lin Hai , Su Zhongmin , Mahadevan Chelliah Kamalakshiammal 
Published: January 2021

AbstractLarge size cerium (Ce3+)‐doped potassium chloride single crystal is grown by the resistance heating Czochralski method and characterized structurally, mechanically, and optically by carrying out X‐ray diffraction (XRD), micro‐hardness, photoluminescence (PL), PL excitation (PLE), thermo‐luminescence (TL), and decay time measurements. XRD measurements reveal the incorporation of Ce atoms into the KCl host lattice. Microhardness measurements indicate an improvement in the hardness due to Ce3+‐doping and a decrease of hardness with increasing temperature. Two intense PL emission peaks are observed at wavelengths 343 and 367 nm, attributed, respectively, to the 5d→2F5/2 and 5d→2F7/2 transitions of Ce3+. Energy level scheme for the Ce3+ ion in the KCl crystal is proposed through PL and PLE analyses. The observed TL glow curve of KCl:Ce3+ shows a sharp peak located at about 244 °C. XRD, PL, and TL studies confirm the trivalent state of Ce3+ ion in the KCl host lattice. The luminescence decay time of KCl:Ce3+ crystal is found to be 35.14 ± 0.17 ns. The present study indicates that the KCl:Ce3+ crystal grown exhibiting suitable PL and TL emissions is expected to be a potential material for radiation dosimetry and scintillation applications.
Facile Synthesis of Vertically Aligned MoS2 Nanosheets at Ambient Pressure
Authors: Borah Chandra Kamal , Kumar Sanjeev 
Published: January 2021

AbstractVertically aligned 2D molybdenum disulfide (MoS2) nanosheets are grown directly on SiO2/Si substrate using an ordinary tubular furnace under 850 °C temperature and atmospheric pressure condition. To achieve high‐quality vertically aligned 2D MoS2, the amount of precursor material, i.e., molybdenum trioxide (MoO3) powder and sulfur (S), is varied, keeping the other parameters such as temperature and carrier gas flow rate constant. The Raman spectroscopy confirms the formation of 2D MoS2 layers and it illustrates that as‐grown MoS2 is in few‐layer forms with good crystallinity. The Raman spectra identifies the best quality 2D MoS2. The topographical and morphological studies of MoS2 carried out by atomic force microscope (AFM) and field effect scanning microscope (FESEM) reveal that as‐synthesized MoS2 is vertically aligned. X‐ray diffraction and energy dispersive spectroscopy (EDS) are carried out in order to identify the phase and elements in the product. In the present work, the emphasis is given on the vertical alignment rather than the thickness of 2D MoS2. Finally, it is demonstrated that vertically aligned 2D MoS2 can be grown simply on SiO2/Si substrate using a simple ordinary tubular furnace under atmospheric pressure condition by varying the amount of MoO3 and S.