bluuebunny/crossref_metadata_2025_split huggingface dataset:
Selective Synthesis of p‐Cresol by Alkylation of Phenol with Methanol over SiO2‐Modified HMCM‐22 Catalyst
Authors: Liu Zonghui , Xie Dehua , Liu Jiabao , Liu Na , Xue Bing 
Published: May 2022

AbstractA series of xSiO2/HMCM‐22 were prepared by chemical liquid deposition of HMCM‐22 with tetraethyl orthosilicate and evaluated in the catalytic synthesis of p‐cresol by alkylation of phenol with methanol. Several characterization techniques including N2 adsorption‐desorption, X‐ray diffraction (XRD), Fourier transform infrared spectroscopy (FT‐IR), Pyridine‐IR, temperature‐programmed desorption of NH3 (NH3‐TPD) as well as the probe reaction of m‐xylene isomerization and 1,3,5‐triisopropyl benzene (1,3,5‐TIPB) cracking have been used to analyze the physicochemical properties of xSiO2/HMCM‐22 catalyst. The conversion of phenol decreased with increasing SiO2 loading of xSiO2/HCM‐22 catalyst; while the selectivity for p‐cresol maximized at x=1 %. The 1 %SiO2/HMCM‐22 catalyst was identified as the most efficient catalyst, showing the highest p‐cresol selectivity for longer than 15 h under optimized reaction conditions. The high p‐cresol selectivity of the catalyst is attributed to the fact that SiO2 covered the acid sites of the external surface of the HMCM‐22 and preserved the acid sites in the micropores of zeolite.
Synthesis of Coumarin‐Thiazolidine‐2,4‐dione‐Pyrazole Hybrids as Epidermal Growth Factor Receptor (EGFR)‐Targeted Agents
Authors: Gangadhar Kotni Hari , Benarjee Velaga , Ratnamala Annapragada 
Published: May 2022

AbstractHerein, we synthesized some new hybrids (5 a–5 o) containing coumarine, thiazolidine‐2,4‐dione and pyrazole entities using earlier developed Knoevenagel condensation and tandem acyl Sonogashira and cyclocondensation as key paths. All the hybrids in micromolar concentration were further evaluated for their in vitro cytotoxicity against four human cancer cell lines like MCF‐7, A‐ 549, PC‐3 and HeLa. Amongst the hybrids, compounds namely (Z)‐5‐((7‐methoxy‐2‐oxo‐2H‐chromen‐3‐yl)methylene)‐3‐((3‐(4‐methoxyphenyl)‐1H‐pyrazol‐5‐yl)methyl)thiazolidine‐2,4‐dione (5 d), (Z)‐4‐(5‐((5‐((7‐methoxy‐2‐oxo‐2H‐chromen‐3‐yl)methylene)‐2,4‐dioxothiazolidin‐3‐yl)methyl)‐1H‐pyrazol‐3‐yl)benzonitrile (5 i), and (Z)‐5‐(5‐((5‐((7‐methoxy‐2‐oxo‐2H‐chromen‐3‐yl)methylene)‐2,4‐dioxothiazolidin‐3‐yl)methyl)‐1H‐pyrazol‐3‐yl)isophthalonitrile (5 o) were found to be more active against all the cell lines than the standard doxorubicin with IC50 values less than 2 μM. As well, molecular docking studies revealed that five active compounds had good binding affinity towards the EGFR. Finally, the results of in vitro kinase inhibitory assay of compounds revealed that 5 d (IC50=0.28 μM), 5 i (IC50=0.26 μM) and 5 o (IC50=0.25 μM) has more inhibiting power than Erlotinib.
Identification of 1,3‐(Dimethyl / Propyl)‐8‐Susbtituted (Cinnamic acid/Furan) Xanthine Derivatives with Anti‐bronchospasmodic Activity Using in silico and in vivo Techniques
Authors: Yadav Kavita , Yadav Divya , Bhandari Divya Dhawal , Yadav Rakesh 
Published: May 2022

AbstractAsthma is a chronic obstructive pulmonary disease which affects the bronchi airways and results in the inflammation of bronchioles along with the hyper‐responsiveness to some direct or indirect stimuli which leads to bronchoconstriction. Substituted xanthines have provided several lead compounds for the development of antiasthmatic agents over the decades. In this present paper, a series of 42 xanthine based derivatives (17 a–g; 18 a–g; 19 a–g; 20 a–g; 28 a–g and 29 a–g) were designed and synthesized. Chemical structures were elucidated by spectroscopic methods. All target compounds were evaluated for their in silico anti‐bronchospasmodic potential using PASS software. Compounds with >95 % potential (18 c–f; 28 a and 29 a–g) in comparison to the standard drug were selected for in vivo bronchospasmodic activity using histamine chamber model. In silico and in vivo activity revealed that the compounds substituted with furan spacer were more active than the cinnamic acid. Substitution with propyl functionality at 1‐and 3‐position of xanthine moiety is also accounted for the enhanced activity of furan derivatives (29 a–g). In conclusion, the synthesized new xanthine derivatives stands out as promising anti‐bronchospasmodic agents for future development.
The Evaluation of Anticancer, Antioxidant, Antidiabetic and Anticholinergic Potentials of Endemic Rhabdosciadium microcalycinum Supported by Molecular Docking Study
Authors: Erdogan Mehmet Kadir , Gundogdu Ramazan , Yapar Yakup , Gecibesler Ibrahim Halil , Kirici Mahinur , Behcet Lutfi , Tuzun Burak , Taslimi Parham 
Published: May 2022

AbstractLung cancer is the most common cancer worldwide and the leading cause of cancer‐related death. Plant‐derived natural products and compounds are an inspiring source of chemotherapeutic agents. Alzheimer's disease (AD) is linked to the decline of acetylcholine (ACh) effects in the brain, so acetylcholinesterase (AChE) inhibitors are important in the treatment of AD. In this study, the chemical components and bioactivity of ethanolic extract of Rhabdosciadium microcalycinum (RM) was investigated by various methods. The lipophilic components of RM was determined by gas chromagraphy‐mass spectrometry (GC‐MS). Antioxidant activicty tests were evaluated with FCAP (Ferrous chelating antioxidant power assay), FRAP (Ferric reducing antioxidant power assay), ABTS (2,2′‐Azino‐bis(3‐ethylbenzothiazoline‐6‐sulfonic acid) diammonium salt assay) and DPPH (2,2‐diphenyl‐1‐picrylhydrazyl assay). The anticancer effect of RM was evaluated by WST‐1 (4‐[3‐(4‐iodophenyl)‐2‐(4‐nitrophenyl)‐2H‐5‐tetrazolio]‐1,3‐benzene disulfonate), colony formation, wound healing and CDDE (cell death detection Elisa) analysis on A549 lung cancer cells. Enzyme inhibition effects of RM was determined against AChE and α‐glycosidase (AG) enzymes. According to the results of molecular docking found in the study; With a docking score of −4.56 for HP5 protein, −6.23 for BXO protein, −5.25 for AFI protein, −3.90 for gly protein and −7.74 for AChE protein, Telecinobufagin molecule was found to have higher activity than other molecules. After docking calculations, Absorption, Distribution, Metabolism, Excretion and Toxicity (ADME/T) analysis was performed to examine the effects and reactions of molecules on human metabolism. RM inhibited the viability of A549 cells dose‐dependent manner (IC50=117.15±8.58 μg/mL), and it was also observed that RM suppressed colony formation, prevented cell migration and directed the cells to apoptosis. RM has important lipophilic components, and significant antioxidant and enzyme inhibition potential. IC50 values of RM for AChE and AG enzymes were found as 35.86 mg/mL, and 10.14 mg/mL, respectively. In conclusion, the findings of this study reveal that ethanol extract from the aerial part of Rhabdosciadium microcalycinum may be a potential therapeutic agent for the treatment of human lung cancer and Alzheimer's disease, due to its phytochemical components.
Green Synthesis of Zinc Oxide Nanoparticles Mediated fromCassia renigeraBark and Detect Its Effects on Four Varieties of Rice
Authors: Parveen Khadeeja , Kumar Naveen , Ledwani Lalita 
Published: May 2022

AbstractThe present study reports a cost‐effective and environmentally benign method for biogenic synthesis of ZnO nanoparticles (NPs) usingCassia renigerabark extract (CRBE) and evaluation of its effect on four rice varieties (PR 7, basmati 1509, HR 47, and sharbati). The physicochemical characterisation of CRBE: ZnO NPs was carried out using X‐ray diffractometer (XRD), Field emission scanning electron microscope (FESEM) and UV‐Vis spectrophotometer. Structural investigation using Rietveld refinement method revealed hexagonal wurtzite structure of CRBE: ZnO NPs containing P6 3 mc space group. UV‐ Visible spectra of CRBE: ZnO NPs displayed a broad peak ranging from 430–540 nm. Fourier transform infrared (FTIR) spectra of CRBE: ZnO NPs displayed a broad peak at 3325 cm−1which represent amine group and the bend at 432 cm−1showed Zn−O stretching confirming the formation of ZnO NPs. FESEM micrograph of CRBE: ZnO NPs depicted hexagonal grains of varying size distributions with an average grain size of ∼28 nm. The effect of CRBE: ZnO NPs on the growth of different rice varieties was examined and was compared with the untreated seeds of rice. CRBE: ZnO NPs treated seeds of rice varieties displayed a significant increase in germination rate, moisture rate, and growth rate (shoot/root length, number of leaves)w.r.t. untreated seeds. CRBE: ZnO NPs mediated rice seeds possessed anti‐pathogenic activity againstXanthomonas oryzae(Xoo). The results of the present work represent that CRBE: ZnO NPs can serve as potent nano‐fertilizer in the field of agriculture.
Uptake of Am(III) Ions and Eu(III) Ions Using Cyclic Substituted N, O‐hybrid 1,10‐Phenanthroline Derived Phosphine Oxide Ligands ‐ A DFT Exploration
Authors: Ebenezer Cheriyan , Solomon Rajadurai Vijay 
Published: May 2022

AbstractThe spent nuclear fuel has radioactive species such as actinides and lanthanides which hamper its reprocessing. This issue is undertaken by designing suitable organic ligands to strip off actinides from lanthanides. Due to the versatility of phenanthroline‐derived N, O‐donor ligands, we have looked into the electronic structure of N,O‐hybrid 1,10‐phenanthroline derived phosphine oxide ligands with various cyclic substitutions. The complexation behavior of these ligands with Am(III) and Eu(III) is evaluated using density functional theory calculations. Electronic structures divulge that in all these tetra‐coordinated complexes, the oxygen atoms bind strongly than the nitrogen atoms. The substitution of a benzene ring on the phosphorus increases the selectivity whereas the binding is enhanced by the substitution of cyclopentane. QTAIM analysis portrays the weak C−H−O interactions present in these complexes. Energy decomposition analysis in gas and solvent phases estimates the weak stabilizing interactions in these complexes. All the calculations bring out the salient structural features of these ligands which will further enrich our understanding of the tailoring of ligands for efficient uptake of Am (III) ions over Eu (III) ions.
Green Synthesis of a Reduced‐Graphene‐Oxide Wrapped Nickel Oxide Nano‐Composite as an Anode For High‐Performance Lithium‐Ion Batteries
Authors: Singhbabu Yashabanta N. , Didwal Pravin N. , Jang Kyunghoon , Jang Jaewon , Park Chan‐Jin , Ham Moon‐Ho 
Published: May 2022

AbstractAeschynomene aspera (AA) plant, a sustainable, waste natural carbon source, is used towards green and scalable synthesis of carbon two‐dimensional materials by simply altering the heating temperature and its composites with nickel oxide (NiO) are fabricated as an anode for high‐performance lithium‐ion batteries (LIBs). Interestingly, a wide range of carbon materials (amorphous carbon, graphene‐oxide (GO), and reduced‐graphene‐oxide(RGO)) can be synthesized from this carbon source that can be used in different applications. Among them, GO synthesized at 500 °C shows best lithium storage properties. While incase of composite the RGO‐NiO fabricated using heated AA plant, at 1000 °C shows excellent lithium storage properties. The RGO‐NiO composite exhibits reversible specific discharge capacity of 847 mAh g−1 at 100 mA g−1 and an excellent rate capability up to 1000 mA g−1. In addition, ex‐situ XRD and XPS measurements reveal reversible nature of the conversion reaction occurring in the composite electrodes.
A Composite Nanomaterial with the Ability to Regulate Oxidative Stress and Anti‐inflammatory for the Treatment of Osteoarthritis
Authors: Wang Yi , Deng Qiuping , Zheng Qinghua , Li Ruyan , Liu Baoqing , Mo Xiaoli , Zhou Jiahong , Shen Jian 
Published: May 2022

AbstractThe current pharmacologic treatment of osteoarthritis (OA) is limited to pain relief medications that may bring obvious side effects, so new treatment ideas need to be proposed. Eliminating excess reactive oxygen species (ROS) and maintaining the anabolic and catabolic function of chondrocytes may provide a new strategy for OA treatment. Here, we prepared nanoparticles (m@PDA−Q) composed of polydopamine (PDA), quercetin and modified hyaluronic acid. PDA not only functions as a carrier for hydrophobic drugs, but also as a certain ROS scavenger. On this basis, hyaluronic acid was modified and cross‐linked under ultraviolet light so it could polymerize on the surface of nanoparticles and provide protection and lubrication to the joints. Relevant experiments showed good biocompatibility of the composite nanomaterials that we synthesized. Its function in regulating the antioxidant defense system, anti‐inflammatory and regulating the anabolism and catabolism of chondrocytes was also confirmed. The m@PDA−Q nanoparticle is expected to become a representative drug candidate for the treatment of OA.
Crystal Plane Reconstruction and Thin Protective Coatings Formation for Superior Stable Zn Anodes Cycling 1300 h
Authors: Liu Mengke , Cai Jinyan , Xu Jun , Qi Kaiwen , Wu Qianyao , Ao Huaisheng , Zou Tiansheng , Fu Shengquan , Wang Shuqing , Zhu Yongchun 
Published: May 2022

AbstractSome new insights into traditional metal pretreatment of anticorrosion for high stable Zn metal anodes are provided. A developed pretreatment methodology is employed to prefer the crystal plane of polycrystalline Zn and create 3.26 µm protective coatings mainly consisting of organic polymers and zinc salts on Zn foils (ROZ@Zn). In this process, Zn metal exhibits a surface‐preferred (001) crystal plane proved by electron backscattered diffraction. Preferred (001) crystal planes and ROZ coatings can regulate Zn2+ diffusion, promote flat growth of Zn, and prevent side reactions. As a result, ROZ@Zn symmetrical cells exhibit superior plating/stripping performance over 1300 h. Impressively, it is significantly prolonged over 40 times in comparison to the bare Zn symmetric cell at 5 mA cm‐2. Moreover, Zn//MnO2 button cells have a high capacity retention of 96.3% after 1600 cycles and pouch cells have a high capacity 122 mAh g‐1 after 200 cycle at 5 C. This work provides inspiration for high stable aqueous Zn metal batteries using the developed metal pretreatment of anticorrosion, which will be a viable, low‐cost, and efficient technology. More interesting, it demonstrates the availability of reconstructing crystal planes by the largely heterogeneous reaction activation of the different crystal planes to H+.
Functional connectivity of limbic system and prefrontal cortex years after pre‐eclampsia: 7‐Tesla functional magnetic resonance imaging study
Authors: Canjels L. P. W. , Ghossein‐Doha C. , Alers R. J. , Rutten S. , van den Kerkhof M. , Schiffer V. M. M. M. , Mulder E. , Gerretsen S. C. , Aldenkamp A. P. , Hurks P. P. M. , van de Ven V. , Spaanderman M. E. A. , Jansen J. F. A. , Backes W. H. 
Published: May 2022

ABSTRACTObjectivePre‐eclampsia is a vascular complication of pregnancy, associated with a long‐term risk of cerebrovascular and mental disorders. We explored whether formerly pre‐eclamptic women exhibit differences in functional brain organization, especially in regions that may explain the commonly reported emotional symptoms and cognitive complaints even years after the pregnancy.MethodsFormerly pre‐eclamptic women and control women with a history of normotensive pregnancy underwent structural and functional 7‐Tesla magnetic resonance imaging scans. Using graph theoretical analysis, the efficiency and clustering coefficient of the functional brain network were investigated. The study included local analysis focusing on particular brain structures, such as the limbic system and the prefrontal cortex, and global analysis of the whole cerebrum. Univariable and multivariable linear regression was used to investigate the relationship between brain network‐related graph measures and the group (formerly pre‐eclamptic or control).ResultsA total of 17 control parous women and 55 women with a history of pre‐eclampsia were recruited. The time intervals between the index pregnancy and recruitment were 8.0 and 5.6 years for the two groups, respectively. Compared with control women, formerly pre‐eclamptic women had higher local efficiency in the prefrontal cortex (P = 0.048) and anterior cingulate cortex (P = 0.03) but lower local efficiency and local clustering coefficient in the amygdala (P = 0.004 and P = 0.02, respectively) and parahippocampal cortex (P = 0.007 and P = 0.008, respectively). No differences were found in the global functional brain organization.ConclusionsCompared to controls with a history of normotensive pregnancy, formerly pre‐eclamptic women displayed a different local functional brain organization. These differences in functional connectivity, especially in the limbic regions and the prefrontal cortex, are in line with the psychological and cognitive complaints reported commonly by women with a history of pre‐eclampsia. © 2022 The Authors. Ultrasound in Obstetrics & Gynecology published by John Wiley & Sons Ltd on behalf of International Society of Ultrasound in Obstetrics and Gynecology.
Are in‐hospital COVID‐19‐related mortality and morbidity in pregnancy associated with gestational age?
Authors: Leung C. , Simões e Silva A. C. , Oliveira E. A. 
Published: May 2022

ABSTRACTObjectivePregnancy involves dynamic changes in the maternal immune system, thus potentially affecting women's response to infection. The aim of this study was to investigate whether gestational age at the time of severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) infection is associated with mortality and morbidity related to coronavirus disease 2019 (COVID‐19) in hospitalized pregnant women.MethodsThis was a cohort study of pregnant women with confirmed SARS‐CoV‐2 infection at any gestational age (categorized into trimesters) who were hospitalized in Brazil from February 2020 to November 2021. Sociodemographic and epidemiological characteristics, signs and symptoms, comorbidities, interventions, vaccination status and type of healthcare establishment were obtained from a nationwide database. Multivariate logistic and Cox regression analyses were used to identify independent risk factors for in‐hospital COVID‐19‐related mortality and morbidity (defined as time from hospital admission to recovery).ResultsA total of 7461 SARS‐CoV‐2‐infected pregnant women were included in the study (9.3%, 28.4% and 62.3% in the first, second and third trimesters, respectively). After adjustment for sociodemographic, epidemiological and clinical characteristics, and intervention‐related variables, gestational age at infection was found not to be associated with COVID‐19‐related mortality and morbidity. Women admitted to establishments with an obstetric center, compared to hospitals without, were 38% less likely to die from SARS‐CoV‐2 infection (adjusted odds ratio, 0.62; 95% CI, 0.48–0.80), while patients who received private not‐for‐profit healthcare had a 13% shorter time to recovery (adjusted hazard ratio, 1.13; 95% CI, 1.07–1.20) compared to those who received public healthcare.ConclusionsDespite a higher percentage of women being admitted in the third trimester, we found no association between gestational age and COVID‐19 mortality and morbidity. The previously reported increase in morbidity and mortality in the third trimester in pregnant women with COVID‐19 may be attributable to other gestational‐age‐affected variables for which adjustment was made in our study. © 2022 The Authors. Ultrasound in Obstetrics & Gynecology published by John Wiley & Sons Ltd on behalf of International Society of Ultrasound in Obstetrics and Gynecology.
Auricular cutaneous T‐cell lymphoma, subtype mycosis fungoides and otitis externa/media in a domestic rat (Rattus norvegicus forma domestica)
Authors: Zein Stephanie , Bertram Christof A. , Kiupel Matti , Klopfleisch Robert , Müller Kerstin 
Published: May 2022

AbstractAn adult female, entire domestic rat (Rattus norvegicus forma domestica) presented with swollen auricles and incoordination. The rat was diagnosed with bilateral otitis externa. Radiographs of the skull revealed bilateral otitis externa/media. Bacterial culture of a swap from the external ear canals identified large numbers of Pasteurella pneumotropica as well as fewer Streptococcus merionis, Bacteroides fragilis and Fusobacterium spp. Microscopic examination of a deep skin scraping and a core needle biopsy of the pinnae diagnosed lymphoma. The animal was euthanased after being treated unsuccessfully symptomatically for 10 days. Postmortem examination revealed a cutaneous T‐cell lymphoma, mycosis fungoides, associated with bilateral otitis externa/media and metastases into several lymph nodes, thymus and lungs. Cutaneous T‐cell lymphoma has not been reported in pet rats to date. Lymphoma should be considered as a differential diagnosis in rats presented with swelling of the pinnae.
Assessing the Infant/Child/Young Person with Suspected FGM/C
Authors: Abdulcadir Jasmine , Guedj Noémie Sachs , Yaron Michal , Abdulcadir Omar , Albert Juliet , Caillet Martin , Catania Lucrezia , Creighton Sarah M. , Deguette Céline , Dubuc Elise , Earp Brian D. , Essén Birgitta , Hodes Deborah , Marcusan Adriana Kaplan , Mishori Ranit , Ottenheimer Deborah , Richard Fabienne , Sy Aida , Touré Moustapha , Valladolid Amelia , Vercoutere Anneke , Vissandjée Bilkis , Young Janine 
Published: May 2022

AbstractFemawle Genital Mutilation/Cutting (FGM/C) comprises all procedures that involve partial or total removal of the external female genitalia or injury to the female genital organs that are medically unnecessary (i.e. performed primarily for cultural or religious reasons), especially when done without the consent of the affected person. Such procedures are usually carried out in infancy or childhood and, most often before the age of 15. Although some pictorial and training tools are available, existing literature focuses primarily on adults. The signs of FGM/C particularly in prepubertal girls, can be subtle and depend on the type as well as on the experience of the examiner. The health care provider (HCP) should be trained to be familiar with, and able to identify a wide range of both modified and unmodified genitalia, as well as findings that may superficially look like FGM/C but actually reflect the normal range of genital anatomy. Knowledge of FGM/C types and subtypes, as well as complications and differential diagnoses of physical findings, are critical. We present a reference guide and atlas containing iconographic material of both the pre- and post-pubertal external female genital area with and without genital cutting/alteration. Our purpose is to facilitate training of health care professionals in making accurate diagnoses, providing appropriate clinical management, ensuring culturally informed/sensitive patient–provider communication, and accurate recording and reporting to child welfare/law enforcement agencies, where required.
Consent and Photography
Authors: Abdulcadir Jasmine , Guedj Noémie Sachs , Yaron Michal , Abdulcadir Omar , Albert Juliet , Caillet Martin , Catania Lucrezia , Creighton Sarah M. , Deguette Céline , Dubuc Elise , Earp Brian D. , Essén Birgitta , Hodes Deborah , Marcusan Adriana Kaplan , Mishori Ranit , Ottenheimer Deborah , Richard Fabienne , Sy Aida , Touré Moustapha , Valladolid Amelia , Vercoutere Anneke , Vissandjée Bilkis , Young Janine 
Published: May 2022

AbstractInformed consent is essential to ensuring a trauma-informed, survivor-centered, ethical process that respects the (developing) autonomy of a patient.