bluuebunny/crossref_metadata_2025_split huggingface dataset:
Nickel Bromide Catalyzed Ligand‐Free and Activator‐less Suzuki Coupling Reactions
Authors: Islam Khadimul , Arora Vinay , Vikas  , Nag Bedabara , Kumar Akshai 
Published: June 2022

AbstractReadily available and inexpensive bromide salt based on earth‐abundant nickel has been used to catalyze the Suzuki coupling of a variety of aryl halides (ca. 37 examples) in high yields under ambient conditions with good functional group tolerance. The reactivity of various aryl halides follows the corresponding C−X (X=I, Br and Cl) bond strength in the order Ar−I>Ar−Br>Ar−Cl. EPR analysis, mercury‐drop experiments and reactions with radical scavenger such as TEMPO point to the involvement of well‐defined molecular species that operate via a Ni(0)/Ni(II) catalytic cycle where oxidative addition of the aryl halide to Ni(0) is likely to be the rate‐determining‐step (RDS). For the first time, valuable new polycyclic aromatic hydrocarbons (PAHs) with exciting photophysical properties have been synthesized (ca. 23 examples) via a Ni(II) catalyzed multi‐fold Suzuki coupling.
Facilitated Ion Transfer Reactions Across Liquid|Liquid Interfaces Assisted by a Neutral Weak Acid: A Theoretical Approach
Authors: Hernández Tamara A. , Mayorga Fabricio , Garcia Julia I. , Zanotto Franco M. , Fernández Ricardo A. , Dassie Sergio A. 
Published: June 2022

AbstractWe present a model that describes facilitated transfer of two cations across liquid|liquid interfaces in presence of a neutral weak acid and its conjugate base. The non‐trivial calculation of the initial equilibrium state is included, since it determines which processes are observed during voltammetry. In certain experimental conditions, the ion transfer reactions involve an interfacial cation exchange. The mechanism that takes place can be identified by measuring the peak‐to‐peak potential difference and the dependence of transfer potential with pH. We also derive a set of equations that allow to locate each experimental condition within a pH‐potential diagram that describes the system at a glance, according to the hydrophobicity of the ligand. Our results can explain potentiometric slopes obtained with ion‐selective electrodes and charge transfer processes with apparent super‐Nernstian responses.
Stabilization of a Mn−Co Oxide During Oxygen Evolution in Alkaline Media
Authors: Villalobos Javier , Morales Dulce M. , Antipin Denis , Schuck Götz , Golnak Ronny , Xiao Jie , Risch Marcel 
Published: June 2022

AbstractImproving the stability of electrocatalysts for the oxygen evolution reaction (OER) through materials design has received less attention than improving their catalytic activity. We explored the effects of Mn addition to a cobalt oxide for stabilizing the catalyst by comparing single phase CoOx and (Co0.7Mn0.3)Ox films electrodeposited in alkaline solution. The obtained disordered films were classified as layered oxides using X‐ray absorption spectroscopy (XAS). The CoOx films showed a constant decrease in the catalytic activity during cycling, confirmed by oxygen detection, while that of (Co0.7Mn0.3)Ox remained constant within error as measured by electrochemical metrics. These trends were rationalized based on XAS analysis of the metal oxidation states, which were Co2.7+ and Mn3.7+ in the bulk and similar near the surface of (Co0.7Mn0.3)Ox, before and after cycling. Thus, Mn in (Co0.7Mn0.3)Ox successfully stabilized the bulk catalyst material and its surface activity during OER cycling. The development of stabilization approaches is essential to extend the durability of OER catalysts.
Optimization total phenolic content and antioxidant activity of Saccocalyx satureioides extracts obtained by ultrasonic‐assisted extraction
Authors: Souadia Ahmed , Gourine Nadhir , Yousfi Mohamed 
Published: June 2022

AbstractOptimum conditions for ultrasonic‐assisted extraction (UAE) of total phenolic (and total flavonoid compounds (TPC & TFC) and antioxidant activity from aerial parts of Saccocalyx satureioides have been investigated using response surface methodology (RSM). The Box–Behnken design was used to investigate the effects of three independent variables: Temperature, time, and solvent/matter “mL/g d.w.” ratio. In this study, total phenolics and total flavonoids extracts were investigated for their antioxidant activity using two different and complementary assays: the DPPH• (2,2‐diphenyl‐1‐picrylhydrazyl) free radical scavenging and the ferric reducing antioxidant power (FRAP). Optimized conditions of UAE were determined for TPC, TFC, and antioxidant capacity (DPPH, FRAP) at once. The results suggested that extraction with absolute methanol to dry matter ratio of 70/1 mL/g for 40.0 min at 43.21°C were the optimal conditions for this combination of variables. Hence, the optimal solution results for the investigated variables were as follows: TPC = 2.416 g/100 g, TFC = 0.440 g/100 g, DPPH (IC50 = 0.022 mg/mL), FRAP (IC50 = 0.760 mg/mL). The experimental values agreed with those predicted ones within a 95% confidence level, thus indicating the suitability of RSM in optimizing the UAE of phenolic compounds from S. satureioides. The results indicated also that optimization of extraction conditions in this plant is critical for precise quantification of antioxidant phenolics and its further utilization in industry.
Understanding of the sodium storage mechanism in hard carbon anodes
Authors: Chen Xiaoyang , Liu Changyu , Fang Yongjin , Ai Xinping , Zhong Faping , Yang Hanxi , Cao Yuliang 
Published: June 2022

AbstractHard carbon has been regarded as the most promising anode material for sodium‐ion batteries (SIBs) due to its low cost, high reversible capacity, and low working potential. However, the uncertain sodium storage mechanism hinders the rational design and synthesis of high‐performance hard carbon anode materials for practical SIBs. During the past decades, tremendous efforts have been put to stimulate the development of hard carbon materials. In this review, we discuss the recent progress of the study on the sodium storage mechanism of hard carbon anodes, and the effective strategies to improve their sodium storage performance have been summarized. It is anticipated that hard carbon anodes with high electrochemical properties will be inspired and fabricated for large‐scale energy storage applications.
Photovoltaic‐powered supercapacitors for driving overall water splitting: A dual‐modulated 3D architecture
Authors: Sun Zixu , Sun Lijuan , Koh See Wee , Ge Junyu , Fei Jipeng , Yao Mengqi , Hong Wei , Liu Shude , Yamauchi Yusuke , Li Hong 
Published: June 2022

AbstractDue to the growing demand for clean and renewable hydrogen fuel, there has been a surge of interest in electrocatalytic water‐splitting devices driven by renewable energy sources. However, the feasibility of self‐driven water splitting is limited by inefficient connections between functional modules, lack of highly active and stable electrocatalysts, and intermittent and unpredictable renewable energy supply. Herein, we construct a dual‐modulated three‐dimensional (3D) NiCo2O4@NiCo2S4 (denoted as NCONCS) heterostructure deposited on nickel foam as a multifunctional electrode for electrocatalytic water splitting driven by photovoltaic‐powered supercapacitors. Due to a stable 3D architecture configuration, abundant active sites, efficient charge transfer, and tuned interface properties, the NCONCS delivers a high specific capacity and rate performance for supercapacitors. A two‐electrode electrolyzer assembled with the NCONCS as both the anode and the cathode only requires a low cell voltage of 1.47 V to achieve a current density of 10 mA cm−2 in alkaline electrolyte, which outperforms the state‐of‐the‐art bifunctional electrocatalysts. Theoretical calculations suggest that the generated heterointerfaces in NCONCS improve the surface binding capability of reaction intermediates while regulating the local electronic structures, which thus accelerates the reaction kinetics of water electrolysis. As a proof of concept, an integrated configuration comprising a two‐electrode electrolyzer driven by two series‐connected supercapacitors charged by a solar cell delivers a high product yield with superior durability.
Concise Total Synthesis of Dysoxylactam A and a Simplified Analog
Authors: Yang Guan‐Zhou , Wang Lei , Fan Yao‐Yue , Lai Zeng‐Wei , Yu Xue‐Ni , Lou Li‐Guang , Gao Kun , Yue Jian‐Min 
Published: June 2022

Comprehensive SummaryA total synthesis of 17‐membered macrocyclolipopeptide dysoxylactam A, a potent agent reversing P‐glycoprotein (P‐gp)‐mediated multidrug resistance (MDR) in cancer cells, was developed from the starting material (S)‐2‐methylbutanal in a linear sequence of 12 steps with 23.2% overall yield. The key steps include proline‐catalyzed asymmetric aldol reaction, Evans aldol reaction and Krische allylation to construct the multiple stereocenters containing fragment, and ring‐closing metathesis to furnish the macrocycle. This total synthesis facilitates the preparation of large amount samples of dysoxylactam A and the side chain simplified derivatives for further biological tests and preliminary structure‐activity relationship exploration.
Intermetallic PdCd Core Promoting CO Tolerance of Pd Shell for Electrocatalytic Formic Acid Oxidation†
Authors: Chen Ming‐Xi , Liu Yue , Song Tian‐Wei , Wei Rui‐Lin , Zhuang Xiao‐Dong , Yang Yao‐Yue , Liang Hai‐Wei 
Published: June 2022

Comprehensive SummaryLiquid fed fuel cells such as direct formic acid fuel cells (DFAFCs) are considered to be promising power sources for portable electronic devices. However, the poison of CO intermediates on the state‐of‐the‐art platinum and palladium‐based electrocatalysts for the formic acid oxidation reaction (FAOR) at the anode hampers the implementation of DFAFCs technologies. Here, we report a core/shell catalyst consisting of intermetallic PdCd core and Pd shell (i‐PdCd@Pd) with promoted CO anti‐poison ability and thus FAOR performance. The optimal i‐PdCd@Pd catalyst exhibits a high mass activity and specific activity at peak potential, which are 24 and 4 times greater than that of commercial Pd/C catalyst, respectively. We understand by in‐situ surface‐enhanced infrared absorption spectroscopy (ATR‐SEIRA) and X‐ray photoelectron spectroscopy (XPS) that in i‐PdCd@Pd, the intermetallic PdCd under‐layers can induce the downshift of d‐band center of surface Pd atoms, which would improve the CO tolerance and thus promote the FAOR performance.
Myocarditis after COVID‐19 mRNA vaccination: A systematic review of case reports and case series
Authors: Park Dae Yong , An Seokyung , Kaur Amandeep , Malhotra Saurabh , Vij Aviral 
Published: June 2022

AbstractBackgroundThe coronavirus disease of 2019 (COVID‐19) is a global pandemic with over 266 million cases and 5 million deaths worldwide. Anti‐COVID‐19 vaccinations have had exceptional success in subduing the incidence, prevalence, and disease severity of COVID‐19, but rare cases of myocarditis have been reported after COVID‐19 vaccinations.HypothesisMyocarditis occurring after COVID‐19 mRNA vaccinations have distinguishable clinical characteristics. They usually have a favorable prognosis.MethodsWe performed a systematic literature search on PUBMED and MEDLINE database from inception to December 5, 2021. Studies were analyzed based on predetermined eligibility criteria.ResultsA total of 57 studies containing 275 cases of COVID‐19 vaccine‐associated myocarditis were catalogued. Mean age was 26.7 years and male to female ratio was 14:1. For 86.9% of patients, myocarditis occurred after the second dose. Average time to onset and length of hospitalization were 3.7 and 3.9 days, respectively. Prognosis was largely benign, but there was a 1.1% reported mortality. Chest pain (95.2%), elevation of troponin (100%), and ST elevation on electrocardiography (68.5%) were common. Nonsteroidal anti‐inflammatory drugs (81.4%) were the most used medication, followed by colchicine (33.1%).ConclusionsPatients with COVID‐19 vaccine‐associated myocarditis are usually younger males presenting with chest pain 3–4 days after receiving their second dose of COVID vaccine. Diagnosis is made by exclusion of all other etiologies. Given significant population benefit from COVID‐19 vaccination, physicians should continue to encourage vaccination while remaining vigilant of the very rare occurrence of myocarditis following COVID‐19 vaccination.
Management of triple negative breast cancer in a centenarian
Authors: Donaldson Andrew , Lunt Lilia , Madrigrano Andrea 
Published: June 2022

AbstractBackgroundThere is limited clinical data to guide treatment for elderly patients with triple‐negative breast cancer (TNBC). In the case of centenarians, there is almost no data for this age group. The diagnosis of TNBC portends a more challenging clinical course compared to hormone receptor positive breast cancers, especially in elderly patients.CaseWe present the case of a 102‐year‐old patient who was diagnosed with TNBC. Although our initial plan was observation, the tumor growth rate and the pain it caused resulted in us offering a right total mastectomy and a left partial mastectomy.ConclusionMorbidity and mortality are higher in TNBC patients, and treatments are more limited, especially in elderly patients who may not be able to tolerate chemotherapy or surgery. As a result, management of breast cancer in elderly patients is largely individualized and treatment is generally more conservative. Focusing on quality of life is a key consideration when treating this patient population.
Electro search optimization based long short‐term memory network for mobile malware detection
Authors: Shanmugam Padmapriya , Venkateswarulu Balajivijayan , Dharmadurai Rajalakshmi , Ranganathan Thiagarajan , Indiran Mohan , Nanjappan Manikandan 
Published: June 2022

AbstractMobile malware is malicious software designed specifically for targeting various mobile gadgets like tablets, smartphones, and so forth, in which any type of malicious code affecting the mobile devices without the knowledge of the user. The increasing number of users encourages the hacker for generating various malware applications. Therefore, in this paper, we utilized three vital phases namely the pre‐processing process, Feature extraction process as well as classification process in which the malicious data are detected. In the pre‐processing phase, an Androguard tool is used for decompiling and disassembling the android applications. The API call features are extracted in the feature extraction phase and in the classification phase, long short term memory based electro search optimization (LSTM‐ESO) is employed to detect the unknown mobile applications as benign or malicious. The malicious mobile detecting accuracy deals in requesting permission and exhibiting malicious code applications. In order to enhance the identification of various malware applications, this paper utilized frequency analysis and permissions of API calls. Finally, the experimental analysis is performed by evaluating the performance measures like accuracy, precision, recall, and F‐measure. From the evaluation outcome, it is observed that the classification accuracy obtained is 97.69%.
Uterus globulin associated protein 1 (UGRP1) binds podoplanin (PDPN) to promote a novel inflammation pathway during Streptococcus pneumoniae infection
Authors: Han Lei , Zhang Feifei , Liu Yu , Yu Jie , Zhang Qianyue , Ye Xiaoping , Song Huaidong , Zheng Cuixia , Han Bing 
Published: June 2022

AbstractBackgroundStreptococcus pneumoniae is the major cause of life‐threatening infections. Toll‐like receptors (TLRs) and NOD‐like receptors (NLRs) could recognise S. pneumoniae and regulate the production of pro‐inflammatory cytokines. UGRP1, highly expressed in lung, is predominantly secreted in airways. However, the function of UGRP1 in pneumonia is mainly unknown.Methods and resultsWe showed that upon TLR2/TLR4/NOD2 agonists stimulation or S. pneumoniae infection, treatment with UGRP1 could promote phosphorylation of p65 and enhance IL‐6, IL‐1β and TNFα production in macrophages. We further elucidated that after binding with cell‐surface receptor PDPN, UGRP1 could activate RhoA to enhance interaction of IKKγ and IKKβ, which slightly activated NF‐κB to improve expression of TLR2, MyD88, NOD2 and NLRP3. Deletion of UGRP1 or blocking UGRP1 interaction with PDPN protected mice against S. pneumoniae‐induced severe pneumococcal pneumonia, and activating RhoA with agonist in UGRP1‐deficient mice restored the reduced IL‐6 production.ConclusionWe demonstrated that UGRP1–PDPN–RhoA signaling could activate NF‐κB to promote expression of TLR2, MyD88, NOD2 and NLRP3, which enhanced inflammatory cytokines secretion during S. pneumoniae infection. Antibodies, which could interrupt interaction of UGRP1 and PDPN, are potential therapeutics against S. pneumoniae.
Design of L + U‐band Erbium‐doped fiber amplifier based on a single S‐band forward pump source
Authors: Mirza Jawad , Ghafoor Salman , Salman Ahmad , Habib Nazish , Karim Qureshi Khurram 
Published: June 2022

SummaryThe multi‐band transmission (MBT) technique is one of the most cutting‐edge approaches to increase the capacity of fiber‐optic transmission systems and meeting the growing bandwidth demand. MBT technique considers the transmission in C + L‐ and U‐bands based on Erbium‐doped fiber amplifiers (EDFAs). Therefore, we propose a high gain and low noise figure EDFA for L + U‐band amplification having gain bandwidth of more than 82 nm in the spectral range of 1578–1660 nm, based on a single standard S‐band forward pump source. The L + U‐band amplification is obtained by pumping the gain medium which is heavily doped with Er3+. The results based on numerical simulations show that an efficient amplification is obtained over L + U‐band with an average small signal gain of around 39 dB covering 1578–1660 nm wavelength range while incorporating a short 12 m length of Erbium‐doped fiber (EDF) at an optimized pump power of 300 mW. A maximum noise figure of 4.46 dB is observed at 1593 nm. In addition, power conversion efficiency (PCE) of different C‐band pump wavelengths has also been evaluated, and the findings show that the PCE of 1560 nm pump wavelength is 70% higher than standard 1480 nm pump wavelength at the expense of cost efficiency. Finally, the system level performance of the designed L + U‐band EDFA is investigated in a five channel wavelength division multiplexed (WDM) link.
IL‐13 in dermal type‐2 dendritic cell specialization: From function to therapeutic targeting
Authors: Lamiable Olivier , Brewerton Maia , Ronchese Franca 
Published: June 2022

AbstractSkin functions as a barrier protecting the host against physical, thermal, chemical changes as well as microbial insults. The skin is populated by several immune cell types that are crucial to host defense and to maintain self‐tolerance as well as equilibrium with beneficial microbiota. Conventional dendritic cells (cDCs) are antigen‐presenting cells that patrol the skin and all other nonlymphoid tissues for self or foreign antigens, and then migrate to draining lymph nodes to initiate T‐cell responses. This review article describes recent developments on skin cDC specialization, focusing on the role of IL‐13, a cytokine essential to allergic immune responses that is also secreted at steady state by type‐2 innate lymphoid cells in healthy skin, and is required for dermal cDC differentiation. Furthermore, we contextualize how different therapeutics that block IL‐13 signaling and were recently approved for the treatment of atopic dermatitis might affect cDCs in human skin.
Environmental hazard of cationic polymers relevant in personal and consumer care products: A critical review
Authors: Connors Kristin A. , Arndt Devrah , Rawlings Jane M. , Brun Hansen Anna Magdalene , Lam Monica W. , Sanderson Hans , Belanger Scott E. 
Published: June 2022

Abstract
Historically, polymers have been excluded from registration and evaluation under the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) program, the European chemical management program. Recently, interest has increased to include polymers. A tiered registration system has been envisioned and would begin with classes of polymers of greater interest based on certain properties. Cationic polymers are one such class. There is a pressing need to understand the quality and limitations of historical cationic polymer studies and to identify key sources of uncertainty in environmental hazard assessments so we can move toward scientifically robust analyses. To that end, we performed a critical review of the existing cationic polymer environmental effects literature to evaluate polymer characterization and test methodologies to understand how these parameters may affect test interpretation. The relationship between physicochemical parameters, acute and chronic toxicity, and relative trophic level sensitivity were explored. To advance our understanding of the environmental hazard and subsequent risk characterization of cationic polymers, there is a clear need for a consistent testing approach as many polymers are characterized as difficult-to-test substances. Experimental parameters such as dissolved organic carbon and solution renewal approaches can alter cationic polymer bioavailability and toxicity. It is recommended that OECD TG 23 “Aqueous-Phase Aquatic Toxicity Testing of Difficult Test Substances” testing considerations be applied when conducting environmental toxicity assays with cationic polymers. Integr Environ Assess Manag 2023;19:312–325. © 2021 SETAC
High Yield Synthesis and Quadratic Nonlinearities of Gold Nanoprisms in Solution: The Role of Corner Sharpness
Authors: Minh Ngo Hoang , Drobnyh Elena , Sukharev Maxim , Khuong Vo Quoc , Zyss Joseph , Ledoux‐Rak Isabelle 
Published: June 2022

AbstractSize and shape of noble metal nanoparticles have a major influence on their linear and second order nonlinear properties. Among these nanostructures, acentric objects are expected to display high quadratic nonlinear responses. In this work, a single – step growth of gold nanoprisms (GNPs) was achieved by seedless growth. Their second harmonic response has been investigated experimentally and theoretically with edge length ranging from 40 to 116 nm and for different curvature radii at corners. Their first hyperpolarizabilities β have been measured by Harmonic Light Scattering at 1064 nm. Their calculated and experimental β values are found to display, not only a linear dependence with the surface area as reported for other metallic nanoparticle shapes, but also a strong influence of their corner sharpness on the corresponding nonlinearities. Such high experimental and theoretical β values of GNPs are mainly assigned to the sharpness of tips.