bluuebunny/crossref_metadata_2025_split huggingface dataset:
Isolation and identification of flavonoid-producing endophytic fungi from medicinal plant Conyza blinii H.Lév that exhibit higher antioxidant and antibacterial activities
Authors: Tang Zizhong , Wang Yinsheng , Yang Jingyu , Xiao Yirong , Cai Yi , Wan Yujun , Chen Hui , Yao Huipeng , Shan Zhi , Li Chenglei , Wang Gang 
Published: April 2020

Background
Conyza blinii H. Lév is a medicinal plant that has a variety of pharmacological activities, but its study is at a standstill due to the shortage of resources.

Method
This study utilized the surface sterilization method to isolate endophytic fungi, and they were preliminarily identified by morphology. Flavonoid-producing strains were screened by NaNO2-Al(NO)3 colorimetry and further identified by the ITS sequence. Additionally, we used five antioxidant assays (DPPH, Hydroxyl radical, ABTS, FRAP and T-AOC assays) to systematically evaluate the antioxidant capacity of total flavonoids , and we also determined their antibacterial activity.

Results
In this study, 21 endophytic fungi were isolated from wild Conyza blinii H. Lév for the first time. There were six flavonoid-producing strains, especially CBL11, whose total flavonoid content reached 50.78 ± 2.4 mg/L. CBL12, CBL12-2 and CBL1-1 all exhibited excellent antioxidant activity. The effect of CBL12 was similar to that of ascorbic acid at low concentrations, and its radical scavenging rates for DPPH and ABTS were 94.56 ± 0.29 % and 99.88 ± 0.27%, respectively, while its IC50 values were only 0.11 ± 0.01 mg/mL and 0.2 ± 0.01 mg/mL. Through LC-MS, we found that CBL12 could produce many high-value flavonoids, such as 3-methoxyflavone, nobiletin, formononetin, scopoletin, and daidzein. Additionally, CBL9 had good antibacterial activity against both gram-positive and gram-negative bacteria. Notably, we obtained the high-yield strains CBL12 and CBL9, which not only had high yields (10.64 ± 1.01 mg/L and 10.17 ± 0.11 mg/L, respectively) but also had excellent biological activity. Hence, the results of this study provide new ideas for endophytic fungi that can be exploited as a source of flavonoids and other medicinal components from Conyza blinii H. Lév. Moreover, this study can serve as a reference for the development of rare medicinal materials.
Qualitative Analysis of Soap Samples Prepared from Shea Butter
Authors: Warra A. A. , Ibrahim H. M. , Komo J. I. , Babatola L. J. , Adejuwon O. M. , Salami T. A. 
Published: April 2020

Aims: The study was aim at extraction, saponification and quality determinations of shea nut fat samples obtained from different major sheanut producing areas of Kebbi state.
Study Design: The quality determination done with and without additives such as perfume, colour and silicate in terms of pH, foam stability and height from four major shea nut producing areas in Kebbi state, Nigeria.
Methodology: The dry powdered sample of ground shea kernel was extracted in soxhlet apparatus using n- hexane as the extracting solvent. Cold process saponification was used in preparing the soap. The soap pH was measured using pH metre. Foam ability of the soaps was also determined.
Results: The highest foam height was observed on the shea soap from Tsamiya (60 cm3), Kwanga (50 cm3), Kwere (40 cm3) with colour additive and the lowest on soap from Illo with perfume additive. For the foam stability test, shea soap from Tsamiya at 43 cm3 was the highest followed by Kwanga at 38 cm3 both with colour additive. Lowest foam stability was recorded on shea soap from Illo with perfume additive. The pH of the shea soap from Illo without additive (9.73) increased with addition of colour, silicate and perfume at 10.70, 10.98 and 11.63 respectively. It showed decrease on addition of perfume, silicate and colour from 11.72 to 10.45, 11.38 and 10.15 respectively from Kwanga.
Conclusion: Variation occurs in the foam stability and pH of the shea soap from the four locations and the addition of colour, perfume and silicate had effect on the foam stability and pH of the shea soaps.
Pathological validation and prognostic potential of quantitative MRI in the characterization of pancreas cancer: preliminary experience
Authors: Klaassen Remy , Steins Anne , Gurney‐Champion Oliver J. , Bijlsma Maarten F. , van Tienhoven Geertjan , Engelbrecht Marc R. W. , van Eijck Casper H. J. , Suker Mustafa , Wilmink Johanna W. , Besselink Marc G. , Busch Olivier R. , de Boer Onno J. , van de Vijver Marc J. , Hooijer Gerrit K. J. , Verheij Joanne , Stoker Jaap , Nederveen Aart J. , van Laarhoven Hanneke W. M. 
Published: April 2020

Patient stratification based on biological variation in pancreatic ductal adenocarcinoma (PDAC) subtypes could help to improve clinical outcome. However, noninvasive assessment of the entire tumor microenvironment remains challenging. In this study, we investigate the biological basis of dynamic contrast‐enhanced (DCE), intravoxel incoherent motion (IVIM), and R2*‐derived magnetic resonance imaging (MRI) parameters for the noninvasive characterization of the PDAC tumor microenvironment and evaluate their prognostic potential in PDAC patients. Patients diagnosed with treatment‐naïve resectable PDAC underwent MRI. After resection, a whole‐mount tumor slice was analyzed for collagen fraction, vessel density, and hypoxia and matched to the MRI parameter maps. MRI parameters were correlated to immunohistochemistry‐derived tissue characteristics and evaluated for prognostic potential. Thirty patients were included of whom 21 underwent resection with whole‐mount histology available in 15 patients. DCE Ktrans and ve, ADC, and IVIM D correlated with collagen fraction. DCE kep and IVIM f correlated with vessel density and R2* with tissue hypoxia. Based on MRI, two main PDAC phenotypes could be distinguished; a stroma‐high phenotype demonstrating high vessel density and high collagen fraction and a stroma‐low phenotype demonstrating low vessel density and low collagen fraction. Patients with the stroma‐high phenotype (high kep and high IVIM D, n = 8) showed longer overall survival (not reached vs. 14 months, P = 0.001, HR = 9.1, P = 0.004) and disease‐free survival (not reached vs. 2 months, P < 0.001, HR 9.3, P = 0.003) compared to the other patients (n = 22). Median follow‐up was 41 (95% CI: 36–46) months. MRI was able to accurately characterize tumor collagen fraction, vessel density, and hypoxia in PDAC. Based on imaging parameters, a subgroup of patients with significantly better prognosis could be identified. These first results indicate that stratification‐based MRI‐derived biomarkers could help to tailor treatment and improve clinical outcome and warrant further research.
Biallelic GRM7 variants cause epilepsy, microcephaly, and cerebral atrophy
Authors: Marafi Dana , Mitani Tadahiro , Isikay Sedat , Hertecant Jozef , Almannai Mohammed , Manickam Kandamurugu , Abou Jamra Rami , El‐Hattab Ayman W. , Rajah Jaishen , Fatih Jawid M. , Du Haowei , Karaca Ender , Bayram Yavuz , Punetha Jaya , Rosenfeld Jill A. , Jhangiani Shalini N. , Boerwinkle Eric , Akdemir Zeynep C. , Erdin Serkan , Hunter Jill V. , Gibbs Richard A. , Pehlivan Davut , Posey Jennifer E. , Lupski James R. 
Published: April 2020

AbstractObjectiveDefects in ion channels and neurotransmitter receptors are implicated in developmental and epileptic encephalopathy (DEE). Metabotropic glutamate receptor 7 (mGluR7), encoded by GRM7, is a presynaptic G‐protein‐coupled glutamate receptor critical for synaptic transmission. We previously proposed GRM7 as a candidate disease gene in two families with neurodevelopmental disorders (NDDs). One additional family has been published since. Here, we describe three additional families with GRM7 biallelic variants and deeply characterize the associated clinical neurological and electrophysiological phenotype and molecular data in 11 affected individuals from six unrelated families.MethodsExome sequencing and family‐based rare variant analyses on a cohort of 220 consanguineous families with NDDs revealed three families with GRM7 biallelic variants; three additional families were identified through literature search and collaboration with a clinical molecular laboratory.ResultsWe compared the observed clinical features and variants of 11 affected individuals from the six unrelated families. Identified novel deleterious variants included two homozygous missense variants (c.2671G>A:p.Glu891Lys and c.1973G>A:p.Arg685Gln) and one homozygous stop‐gain variant (c.1975C>T:p.Arg659Ter). Developmental delay, neonatal‐ or infantile‐onset epilepsy, and microcephaly were universal. Three individuals had hypothalamic–pituitary–axis dysfunction without pituitary structural abnormality. Neuroimaging showed cerebral atrophy and hypomyelination in a majority of cases. Two siblings demonstrated progressive loss of myelination by 2 years in both and an acquired microcephaly pattern in one. Five individuals died in early or late childhood.ConclusionDetailed clinical characterization of 11 individuals from six unrelated families demonstrates that rare biallelic GRM7 pathogenic variants can cause DEEs, microcephaly, hypomyelination, and cerebral atrophy.
Progressive Multiple Sclerosis Is Associated with Faster and Specific Retinal Layer Atrophy
Authors: Sotirchos Elias S. , Gonzalez Caldito Natalia , Filippatou Angeliki , Fitzgerald Kathryn C. , Murphy Olwen C. , Lambe Jeffrey , Nguyen James , Button Julia , Ogbuokiri Esther , Crainiceanu Ciprian M. , Prince Jerry L. , Calabresi Peter A. , Saidha Shiv ,   International Multiple Sclerosis Visual System (IMSVISUAL) Consortium
Published: April 2020

ObjectiveTherapeutic development in progressive multiple sclerosis (PMS) has been hampered by a lack of reliable biomarkers to monitor neurodegeneration. Optical coherence tomography (OCT)‐derived retinal measures have been proposed as promising biomarkers to fulfill this role. However, it is unclear whether retinal atrophy persists in PMS, exceeds normal aging, or can be distinguished from relapsing–remitting multiple sclerosis (RRMS).Methods178 RRMS, 186 PMS, and 66 control participants were followed with serial OCT for a median follow‐up of 3.7 years.ResultsThe estimated proportion of peripapillary retinal nerve fiber layer (pRNFL) and macular ganglion cell + inner plexiform layer (GCIPL) thinning in multiple sclerosis (MS) attributable to normal aging increased from 42.7% and 16.7% respectively at age 25 years, to 83.7% and 81.1% at age 65 years. However, independent of age, PMS was associated with faster pRNFL (−0.34 ± 0.09%/yr, p < 0.001) and GCIPL (−0.27 ± 0.07%/yr, p < 0.001) thinning, as compared to RRMS. In both MS and controls, higher baseline age was associated with faster inner nuclear layer (INL) and outer nuclear layer (ONL) thinning. INL and ONL thinning were independently faster in PMS, as compared to controls (INL:−0.09 ± 0.04%/yr, p = 0.03; ONL:−0.12 ± 0.06%/yr, p = 0.04), and RRMS (INL:−0.10 ± 0.04%/yr, p = 0.01; ONL:−0.13 ± 0.05%/yr, p = 0.01), whereas they were similar in RRMS and controls. Unlike RRMS, disease‐modifying therapies (DMTs) did not impact rates of retinal layer atrophy in PMS.InterpretationPMS is associated with faster retinal atrophy independent of age. INL and ONL measures may be novel biomarkers of neurodegeneration in PMS that appear to be unaffected by conventional DMTs. The effects of aging on rates of retinal layer atrophy should be considered in clinical trials incorporating OCT outcomes. ANN NEUROL 2020;87:885–896
Longitudinal Assessment of Multiple Sclerosis with the Brain‐Age Paradigm
Authors: Cole James H. , Raffel Joel , Friede Tim , Eshaghi Arman , Brownlee Wallace J. , Chard Declan , De Stefano Nicola , Enzinger Christian , Pirpamer Lukas , Filippi Massimo , Gasperini Claudio , Rocca Maria Assunta , Rovira Alex , Ruggieri Serena , Sastre‐Garriga Jaume , Stromillo Maria Laura , Uitdehaag Bernard M. J. , Vrenken Hugo , Barkhof Frederik , Nicholas Richard , Ciccarelli Olga ,   MAGNIMS study group
Published: April 2020

ObjectiveDuring the natural course of multiple sclerosis (MS), the brain is exposed to aging as well as disease effects. Brain aging can be modeled statistically; the so‐called “brain‐age” paradigm. Here, we evaluated whether brain‐predicted age difference (brain‐PAD) was sensitive to the presence of MS, clinical progression, and future outcomes.MethodsIn a longitudinal, multicenter sample of 3,565 magnetic resonance imaging (MRI) scans, in 1,204 patients with MS and clinically isolated syndrome (CIS) and 150 healthy controls (mean follow‐up time: patients 3.41 years, healthy controls 1.97 years), we measured “brain‐predicted age” using T1‐weighted MRI. We compared brain‐PAD among patients with MS and patients with CIS and healthy controls, and between disease subtypes. Relationships between brain‐PAD and Expanded Disability Status Scale (EDSS) were explored.ResultsPatients with MS had markedly higher brain‐PAD than healthy controls (mean brain‐PAD +10.3 years; 95% confidence interval [CI] = 8.5–12.1] versus 4.3 years; 95% CI = 2.1 to 6.4; p < 0.001). The highest brain‐PADs were in secondary‐progressive MS (+13.3 years; 95% CI = 11.3–15.3). Brain‐PAD at study entry predicted time‐to‐disability progression (hazard ratio 1.02; 95% CI = 1.01–1.03; p < 0.001); although normalized brain volume was a stronger predictor. Greater annualized brain‐PAD increases were associated with greater annualized EDSS score (r = 0.26; p < 0.001).InterpretationThe brain‐age paradigm is sensitive to MS‐related atrophy and clinical progression. A higher brain‐PAD at baseline was associated with more rapid disability progression and the rate of change in brain‐PAD related to worsening disability. Potentially, “brain‐age” could be used as a prognostic biomarker in early‐stage MS, to track disease progression or stratify patients for clinical trial enrollment. ANN NEUROL 2020 ANN NEUROL 2020;88:93–105
Dual Metal Active Sites in an Ir1/FeOxSingle‐Atom Catalyst: A Redox Mechanism for the Water‐Gas Shift Reaction
Authors: Liang Jin‐Xia , Lin Jian , Liu Jingyue , Wang Xiaodong , Zhang Tao , Li Jun 
Published: April 2020

AbstractHerein, we report a theoretical and experimental study of the water‐gas shift (WGS) reaction on Ir1/FeOxsingle‐atom catalysts. Water dissociates to OH* on the Ir1single atom and H* on the first‐neighbour O atom bonded with a Fe site. The adsorbed CO on Ir1reacts with another adjacent O atom to produce CO2, yielding an oxygen vacancy (Ovac). Then, the formation of H2becomes feasible due to migration of H from adsorbed OH* toward Ir1and its subsequent reaction with another H*. The interaction of Ir1and the second‐neighbouring Fe species demonstrates a new WGS pathway featured by electron transfer at the active site from Fe3+−O⋅⋅⋅Ir2+−Ovacto Fe2+−Ovac⋅⋅⋅Ir3+−O with the involvement of Ovac. The redox mechanism for WGS reaction through a dual metal active site (DMAS) is different from the conventional associative mechanism with the formation of formate or carboxyl intermediates. The proposed new reaction mechanism is corroborated by the experimental results with Ir1/FeOxfor sequential production of CO2and H2.
Materialien mit Selektivität für oxidative Molekülspezies für die Diagnostik und Therapie
Authors: Zhao Caiyan , Chen Jingxiao , Zhong Ruibo , Chen Dean Shuailin , Shi Jinjun , Song Jibin 
Published: April 2020

AbstractMit zunehmendem Wissen um die vielfältige Rolle und Bedeutung oxidativer Molekülspezies in der Pathogenese vieler Erkrankungen wurden enorme Anstrengungen gemacht, um Materialien zu entwickeln, die auf solche Verbindungen reagieren, 1) um Sauerstoffmetabolite nachzuweisen und Krankheiten zu diagnostizieren, bei denen oxidativer Stress bedeutsam ist, 2) um oxidativen Stress an den Orten der Erkrankung zu reduzieren und/oder 3) um therapeutische und diagnostische Verbindungen gezielt freizusetzen. In diesem Aufsatz werden wir zunächst die verschiedenen Eigenschaften und biologischen Funktionen jeder oxidativen Molekülart diskutieren. Dann werden wir Selektivität und Sensitivität der chemischen Linkern/Gruppen für die spezifischen oxidativen Molekülarten und die zugrundeliegende Chemie der jeweiligen Wechselwirkungen systematisch beleuchten. Dabei gehen wir auch auf mögliche biomedizinische Anwendungen ein. Wir hoffen, dass dieser umfassende Aufsatz weitere Einsichten für Entwurf und Entwicklung selektiver Materialien für oxidative Molekülspezies für eine effektivere Diagnostik und Therapie bieten wird.
Catalytic Access to Functionalized Allylic gem‐Difluorides via Fluorinative Meyer–Schuster‐Like Rearrangement
Authors: Liao Lihao , An Rui , Li Huimin , Xu Yang , Wu Jin‐Ji , Zhao Xiaodan 
Published: April 2020

AbstractAn unprecedented approach for efficient synthesis of functionalized allylic gem‐difluorides via catalytic fluorinative Meyer–Schuster‐like rearrangement is disclosed. This transformation proceeded with readily accessible propargylic fluorides, and low‐cost B–F reagents and electrophilic reagents by sulfide catalysis. A series of iodinated, brominated, and trifluoromethylthiolated allylic gem‐difluorides that were difficult to access by other methods were facilely produced with a wide range of functional groups. Importantly, the obtained iodinated products could be incorporated into different drugs and natural products, and could be expediently converted into many other valuable gem‐difluoroalkyl molecules as well. Mechanistic studies revealed that this reaction went through a regioselective fluorination of alkynes followed by a formal 1,3‐fluorine migration under the assistance of the B–F reagents to give the desired products.
Oxidative‐Species‐Selective Materials for Diagnostic and Therapeutic Applications
Authors: Zhao Caiyan , Chen Jingxiao , Zhong Ruibo , Chen Dean Shuailin , Shi Jinjun , Song Jibin 
Published: April 2020

AbstractWith the increasing recognition of the diverse roles and significance of oxidative species in the pathogenesis of many diseases, a tremendous amount of work on the development of oxidative‐species‐responsive materials has been conducted for 1) detecting oxygen metabolites or diagnosis of oxidative‐stress‐relevant diseases, 2) reducing oxidative stress in the disease sites, and/or 3) delivering therapeutic and diagnostic agents. In this review, we first discuss the distinct features and biological functions of each oxidative species. Then the selectivity and sensitivity of chemical linkers/groups to specific oxidative species and the underlying chemistry of their particular interactions are systematically elucidated. Their potential biomedical applications are also highlighted. We expect that this comprehensive review will provide more insights for the design and development of oxidative‐species‐selective materials for more effective diagnostic and therapeutic applications.
Triple Self‐Sorting in Constitutional Dynamic Networks: Parallel Generation of Imine‐Based CuI, FeII, and ZnII Complexes
Authors: Ayme Jean‐François , Dhers Sébastien , Lehn Jean‐Marie 
Published: April 2020

AbstractThree imine‐based metal complexes, having no overlap in terms of their compositions, have been simultaneously generated from the self‐sorting of a constitutional dynamic library (CDL) containing three amines, three aldehydes, and three metal salts. The hierarchical ordering of the stability of the three metal complexes assembled and the leveraging of the antagonistic and agonistic relationships existing between the constituents within the constitutional dynamic network corresponding to the CDL were pivotal in achieving the sorting. Examination of the process by NMR spectroscopy showed that the self‐sorting of the FeII and ZnII complexes depended on an interplay between the thermodynamic driving forces and a kinetic trap involved in their assembly. These results also exemplify the concept of “simplexity”—the fact that the output of a self‐assembling system may be simplified by increasing its initial compositional complexity—as the two complexes could self‐sort only in the presence of the third pair of organic components, those of the CuI complex.
Coercive Fields Above 6 T in Two Cobalt(II)–Radical Chain Compounds
Authors: Liu Xiaoqing , Feng Xiaowen , Meihaus Katie R. , Meng Xixi , Zhang Yuan , Li Liang , Liu Jun‐Liang , Pedersen Kasper S. , Keller Lukas , Shi Wei , Zhang Yi‐Quan , Cheng Peng , Long Jeffrey R. 
Published: April 2020

AbstractLanthanide permanent magnets are widely used in applications ranging from nanotechnology to industrial engineering. However, limited access to the rare earths and rising costs associated with their extraction are spurring interest in the development of lanthanide‐free hard magnets. Zero‐ and one‐dimensional magnetic materials are intriguing alternatives due to their low densities, structural and chemical versatility, and the typically mild, bottom‐up nature of their synthesis. Here, we present two one‐dimensional cobalt(II) systems Co(hfac)2(R‐NapNIT) (R‐NapNIT=2‐(2′‐(R‐)naphthyl)‐4,4,5,5‐tetramethylimidazoline‐1‐oxyl‐3‐oxide, R=MeO or EtO) supported by air‐stable nitronyl nitroxide radicals. These compounds are single‐chain magnets and exhibit wide, square magnetic hysteresis below 14 K, with giant coercive fields up to 65 or 102 kOe measured using static or pulsed high magnetic fields, respectively. Magnetic, spectroscopic, and computational studies suggest that the record coercivities derive not from three‐dimensional ordering but from the interaction of adjacent chains that compose alternating magnetic sublattices generated by crystallographic symmetry.
Transition Metal Nitrides as Promising Catalyst Supports for Tuning CO/H2Syngas Production from Electrochemical CO2Reduction
Authors: Liu Yumeng , Tian Dong , Biswas Akash N. , Xie Zhenhua , Hwang Sooyeon , Lee Ji Hoon , Meng Hong , Chen Jingguang G. 
Published: April 2020

AbstractThe electrochemical carbon dioxide reduction reaction (CO2RR) to produce synthesis gas (syngas) with tunable CO/H2ratios has been studied by supporting Pd catalysts on transition metal nitride (TMN) substrates. Combining experimental measurements and density functional theory (DFT) calculations, Pd‐modified niobium nitride (Pd/NbN) is found to generate much higher CO and H2partial current densities and greater CO Faradaic efficiency than Pd‐modified vanadium nitride (Pd/VN) and commercial Pd/C catalysts. In‐situ X‐ray diffraction identifies the formation of PdH in Pd/NbN and Pd/C under CO2RR conditions, whereas the Pd in Pd/VN is not fully transformed into the active PdH phase. DFT calculations show that the stabilized *HOCO and weakened *CO intermediates on PdH/NbN are critical to achieving higher CO2RR activity. This work suggests that NbN is a promising substrate to modify Pd, resulting in an enhanced electrochemical conversion of CO2to syngas with a potential reduction in precious metal loading.
Cycloisomerization of Olefins in Water
Authors: Matos Jeishla L. M. , Green Samantha A. , Chun Yuge , Dang Vuong Q. , Dushin Russell G. , Richardson Paul , Chen Jason S. , Piotrowski David W. , Paegel Brian M. , Shenvi Ryan A. 
Published: April 2020

AbstractPreparative reactions that occur efficiently under dilute, buffered, aqueous conditions in the presence of biomolecules find application in ligation, peptide synthesis, and polynucleotide synthesis and sequencing. However, the identification of functional groups or reagents that are mutually reactive with one another, but unreactive with biopolymers and water, is challenging. Shown here are cobalt catalysts that react with alkenes under dilute, aqueous, buffered conditions and promote efficient cycloisomerization and formal Friedel–Crafts reactions. The constraining conditions of bioorthogonal chemistry are beneficial for reaction efficiency as superior conversion at low catalyst concentration is obtained and competent rates in dilute conditions are maintained. Efficiency at high dilution in the presence of buffer and nucleobases suggests that these reaction conditions may find broad application.