bluuebunny/crossref_metadata_2025_split huggingface dataset:
Humic substances and distribution in Mollisols affected by six‐year organic amendments
Authors: Zhou Meng , Wang Chunyu , Xie Zhihuang , Li Yansheng , Zhang Xingyi , Wang Guanghua , Jin Jian , Ding Guangwei , Liu Xiaobing 
Published: July 2020

AbstractOrganic amendments under crop rotation influence soil organic matter (SOM) content, while the distribution and structural changes of humic substances have not been thoroughly examined. Three‐dimensional excitation‐emission matrix (3DEEM) fluorescence spectroscopy with parallel factor analysis (PARAFAC) and fluorescence regional integration (FRI), and projection procedure regression (PPR) were used to comprehensively evaluate the structural characteristics and distribution of fulvic acids (FA). The fertilization regimes were: CNoF‐SNoF (corn and soybean without fertilizer), CCF‐SNoF (corn with chemical fertilizer and soybean without fertilizer), CCR‐SNoF (corn and soybean stovers with chemical fertilizer and soybean without fertilizer), CCF‐SCF (corn and soybean with chemical fertilizer), and CCF‐SFM (corn with chemical fertilizer and soybean with dairy manure). Six‐year organic amendments mainly increased SOM, FA and humic acids (HA) contents, and the ratio of HA to FA (HA/FA), the ratio of percent fluorescence response in the ultraviolet to visible region (PV,n/PIII,n) and projection values in topsoil. Six‐year stover return enhanced labile fractions of SOM in 20–30 cm soil depth, while dairy manure application increased labile fractions of SOM in 0–10 cm and 20–30 cm soil depths. The organic amendments had higher Fmax of component C1 (bioavailable aliphatic compounds) and component C2 (high molecular structure compounds), which could potentially enhance the supply of nutrients while reducing the impact of agriculture on the environment. The increase of fulvic acid‐like substances in the visible region was a major cause of the increase in humification degree. EEM‐PARAFAC, EEM‐FRI, and PPR analyses were all suitable for evaluating humification degree of FA.
AD risk score for the early phases of disease based on unsupervised machine learning
Authors: Wang Zheyu , Tang Zhuojun , Zhu Yuxin , Pettigrew Corinne , Soldan Anja , Gross Alden , Albert Marilyn 
Published: July 2020

AbstractIntroductionIdentifying cognitively normal individuals at high risk for progression to symptomatic Alzheimer's disease (AD) is critical for early intervention.MethodsAn AD risk score was derived using unsupervised machine learning. The score was developed using data from 226 cognitively normal individuals and included cerebrospinal fluid, magnetic resonance imaging, and cognitive measures, and validated in an independent cohort.ResultsHigher baseline AD progression risk scores (hazard ratio = 2.70,P< 0.001) were associated with greater risks of progression to clinical symptoms of mild cognitive impairment (MCI). Baseline scores had an area under the curve of 0.83 (95% confidence interval: 0.75 to 0.91) for identifying subjects who progressed to MCI/dementia within 5 years. The validation procedure, using data from the Alzheimer's Disease Neuroimaging Initiative, demonstrated accuracy of prediction across the AD spectrum.DiscussionThe derived risk score provides high predictive accuracy for identifying which individuals with normal cognition are likely to show clinical decline due to AD within 5 years.
FtsZ Reorganization Facilitates Deformation of Giant Vesicles in Microfluidic Traps**
Authors: Ganzinger Kristina A. , Merino‐Salomón Adrián , García‐Soriano Daniela A. , Butterfield A. Nelson , Litschel Thomas , Siedler Frank , Schwille Petra 
Published: July 2020

AbstractThe geometry of reaction compartments can affect the local outcome of interface‐restricted reactions. Giant unilamellar vesicles (GUVs) are commonly used to generate cell‐sized, membrane‐bound reaction compartments, which are, however, always spherical. Herein, we report the development of a microfluidic chip to trap and reversibly deform GUVs into cigar‐like shapes. When trapping and elongating GUVs that contain the primary protein of the bacterial Z ring, FtsZ, we find that membrane‐bound FtsZ filaments align preferentially with the short GUV axis. When GUVs are released from this confinement and membrane tension is relaxed, FtsZ reorganizes reversibly from filaments into dynamic rings that stabilize membrane protrusions; a process that allows reversible GUV deformation. We conclude that microfluidic traps are useful for manipulating both geometry and tension of GUVs, and for investigating how both affect the outcome of spatially‐sensitive reactions inside them, such as that of protein self‐organization.
A Prelude to Biogermylene Chemistry**
Authors: Mahawar Pritam , Wasson Mishi Kaushal , Sharma Mahendra Kumar , Jha Chandan Kumar , Mukherjee Goutam , Vivekanandan Perumal , Nagendran Selvarajan 
Published: July 2020

AbstractThe biological applications of germylenes remain unrealised owing to their unstable nature. We report the isolation of air‐, water‐, and culture‐medium‐stable germylene DPMGeOH (3; DPM=dipyrromethene ligand) and its potential biological application. Compound 3 exhibits antiproliferative effects comparable to that of cisplatin in human cancer cells. The cytotoxicity of compound 3 on normal epithelial cells is minimal and is similar to that of the currently used anticancer drugs. These findings provide a framework for a plethora of biological studies using germylenes and have important implications for low‐valent main‐group chemistry.
Reversible Hydride Migration from C5Me5 to RhI Revealed by a Cooperative Bimetallic Approach
Authors: Alférez Macarena G. , Moreno Juan J. , Hidalgo Nereida , Campos Jesús 
Published: July 2020

AbstractThe use of cyclopentadienyl ligands in organometallic chemistry and catalysis is ubiquitous, mostly due to their robust spectator role. Nonetheless, increasing examples of non‐innocent behaviour are being documented. Here, we provide evidence for reversible intramolecular C−H activation at one methyl terminus of C5Me5 in [(η‐C5Me5)Rh(PMe3)2] to form a new Rh−H bond, a process so far restricted to early transition metals. Experimental evidence was acquired from bimetallic rhodium/gold structures in which the gold center binds either to the rhodium atom or to the activated Cp* ring. Reversibility of the C−H activation event regenerates the RhI and AuI monometallic precursors, whose cooperative reactivity towards polar E−H bonds (E=O, N), including the N−H bonds in ammonia, can be understood in terms of bimetallic frustration.
Monitoring the Interaction of α‐Synuclein with Calcium Ions through Exclusively Heteronuclear Nuclear Magnetic Resonance Experiments
Authors: Pontoriero Letizia , Schiavina Marco , Murrali Maria Grazia , Pierattelli Roberta , Felli Isabella C. 
Published: July 2020

AbstractMany properties of intrinsically disordered proteins (IDPs), or protein regions (IDRs), are modulated by the nature of amino acid side chains as well as by local solvent exposure. We propose a set of exclusively heteronuclear NMR experiments to investigate these features in different experimental conditions that are relevant for physiological function. The proposed approach is generally applicable to many IDPs/IDRs whose assignment is available in the Biological Magnetic Resonance Bank (BMRB) to investigate how their properties are modulated by different, physiologically relevant conditions. The experiments, tested on α‐synuclein, are then used to investigate how α‐synuclein senses Ca2+ concentration jumps associated with the transmission of nerve signals. Novel modules in the primary sequence of α‐synuclein optimized for calcium sensing in highly flexible, disordered protein segments are identified.
Quantifying the Covalent Functionalization of Black Phosphorus
Authors: Wild Stefan , Dinh Xuan Thong , Maid Harald , Hauke Frank , Abellán Gonzalo , Hirsch Andreas 
Published: July 2020

AbstractA straightforward quantification method to consistently determine the overall functionalization degree of covalently modified two‐dimensional (2D) black phosphorus (BP) by Raman spectroscopy has been carried out. Indeed, the successful reductive methylation of the BP lattice using sodium intercalation compounds and exhibiting different functionalization degrees has been demonstrated by31P‐magic angle spinning (MAS) NMR spectroscopy. Furthermore, the correlation of31P‐MAS NMR spectroscopy and statistical Raman spectroscopy (SRS) revealed the first method to determine the functionalization degree of BP solely by evaluating the intensities of distinct peaks in the Raman spectra of the covalently modified material, in a similar way to the widely employedID/IGratio of graphene research.
In vitro CRISPR/Cas9 system for genome editing of Aspergillus niger based on removable bidirectional selection marker AmdS
Authors: Nan Yilin , Ouyang Liming , Chu Ju 
Published: July 2020

AbstractWe established an in vitro clustered regularly interspaced short palindromic repeats (CRISPR)‐associated RNA‐guided DNA endonucleases (Cas9) system to efficiently produce specific genome editing in Aspergillus niger, using a novel recyclable, bidirectional selection marker gene amdS without the need of prior production of an amdS mutant. The donor DNA plasmid consisted of amdS open reading frame, promoter, terminator, and directional repeats (DRs) flanking sequences. It was cotransformed with recombinant nuclease Cas9 and the sgRNA, which targets to the pigment gene olvA of A. niger strain CBS513.88. The positive olive transformants, other than the wild‐type strain, were able to grow on the media containing acetamide as the sole nitrogen source and cesium chloride. Furthermore, culturing the transformants on media with fluoroacetamide and urea allowed a loop‐out of the amdS expression cassette by recombining the flanking DRs. This study confirmed the facts that the endogenous amdS can be used as a dominant marker and that it can be removed by counter‐selection in gene editing of A. niger. The proposed in vitro CRISPR/Cas9 method offers a powerful tool for marker‐free genetic manipulation of filamentous fungi industrial‐specific strains.
Trends in prevalence and spatiotemporal distribution of gastroschisis in Arkansas, 1998–2015
Authors: ELHassan Nahed O. , Young Sean G. , Gokun Yevgeniya , Wan Fei , Nembhard Wendy N. 
Published: July 2020

AbstractBackgroundArkansas (AR) had the highest prevalence of gastroschisis in a recent study including 15 U.S. states. Our objective was to evaluate trends in prevalence and the spatiotemporal distribution of gastroschisis in AR.MethodsInfants with gastroschisis, born 1998–2015, were identified from the Arkansas Reproductive Health Monitoring System. Birth record data were used as denominators for calculations. Maternal residence at delivery was geocoded for spatial analyses. Annual prevalence rates (PRs) were calculated. Joinpoint regression analysis was performed to examine trends in gastroschisis and report the annual percent changes (APCs) in PRs. Spatiotemporal analyses identified counties with unusually high PRs of gastroschisis. Poisson regression, including county, year, and county*year indicators, was fit to evaluate the PRs of gastroschisis, while adjusting for county‐level maternal variables.ResultsWe identified 401 cases of gastroschisis among 694,459 live births. The overall PR of gastroschisis was 5.8/10,000 live births. The prevalence of gastroschisis had a significant APC of +5.3% (p < .0001) between 1998 and 2012, followed by a nonsignificant yearly average decrease of −17% through 2015 (p = 0.2). The Emerging Hot Spot Analysis and SaTScan identified an overlapping five‐county cluster from 2006 to 2013. Poisson regression model, including county (inside vs. outside cluster), time (before vs. after 2006), and county*time indicators, was fit to evaluate the PRs of gastroschisis. The model did not confirm the presence of a spatiotemporal cluster, once it adjusted for county‐level maternal characteristics (p = .549).ConclusionClose monitoring of rates of gastroschisis is warranted to determine if the PRs of gastroschisis continue to decline in AR.
Regulation of adipose tissue inflammation and systemic metabolism in murine obesity by polymer implants loaded with lentiviral vectors encoding human interleukin‐4
Authors: Youngblood Richard , Flesher Carmen G. , Delproposto Jennifer , Baker Nicki A. , Neeley Christopher K. , Li Fanghua , Lumeng Carey N. , Shea Lonnie D. , O'Rourke Robert W. 
Published: July 2020

AbstractDysfunctional adipose tissue plays a central role in the pathogenesis of the obesity‐related metabolic disease, including type 2 diabetes. Targeting adipose tissue using biopolymer implants is a novel therapeutic approach for metabolic disease. We transplanted porous poly(lactide‐co‐glycolide) (PLG) implants coated with human interleukin‐4 (hIL‐4)‐expressing lentivirus into epididymal white adipose tissue (eWAT) of mice fed a high‐fat diet. Tissue and systemic inflammation and metabolism were studied with flow cytometry, immunohistochemistry, quantitative real‐time polymerase chain reaction, adipose tissue histology, and in vivo glucose tolerance testing at 2 and 10 weeks of a high‐fat diet. PLG implants carrying hIL‐4‐expressing lentivirus implanted into epididymal white adipose tissue of mice‐regulated adipose tissue inflammation, including increased CD3+CD4+T‐cell frequency, increased eWAT adipocyte hypertrophy, and decreased FASN and ATGL expression, along with reduced fasting blood glucose levels. These effects were observed in early obesity but were not maintained in established obesity. Local delivery of bioimplants loaded with cytokine‐expressing lentivirus vectors to adipose tissue influences tissue inflammation and systemic metabolism in early obesity. Further study will be required to show more durable metabolic effects. These data demonstrate that polymer biomaterials implanted into adipose tissue have the potential to modulate local tissue and systemic inflammation and metabolism.
Mechanistic insights into viral clearance during the chromatography steps in antibody processes by using virus surrogates
Authors: Dyer Rachel , Song Yuanli , Chen Jie , Bigelow Elizabeth , McGinnis Jennifer , Jenkins Lauren , Ghose Sanchayita , Li Zheng Jian 
Published: July 2020

AbstractViral safety is required for biological products to treat human diseases, and the burden of inactivation and or virus removal lies on the downstream purification process. Minute virus of mice (MVM) is a nonenveloped parvovirus commonly used as the worst‐case model virus in validation studies because of its small size and high chemical stability. In this study, we investigated the use of MVM‐mock virus particle (MVP) and bacteriophage ΦX174 as surrogates for MVM to mimic viral clearance studies, with a focus on chromatography operations. Based on structural models and comparison of log reduction value among MVM, MVP, and ΦX174, it was demonstrated that MVP can be used as a noninfectious surrogate to assess viral clearance during process development in multiple chromatography systems in a biosafety level one (BSL‐1) laboratory. Protein A (ProA) chromatography was investigated to strategically assess the impact of the resin, impurities, and the monoclonal antibody product on virus removal.
Recent Advances in the Tissue Culture of American Ginseng (Panax quinquefolius)
Authors: Qiang Baobao , Miao Jianhua , Phillips Nate , Wei Kunhua , Gao Ying 
Published: July 2020

AbstractThe in vitro tissue culture of medicinal plants is considered as a potential source for plant‐derived bioactive secondary metabolites. The in vitro tissue culture of American ginseng has wide commercial applications in pharmaceutical, nutraceutical, food, and cosmetic fields with regard to the production of bioactive compounds such as ginsenosides and polysaccharides. This review highlights the recent progress made on different types of tissue culture practices with American ginseng, including callus culture, somatic embryo culture, cell suspension culture, hairy root culture, and adventitious root culture. The tissue culture conditions for inducing ginseng callus, somatic embryos, cell suspension, hairy roots, and adventitious roots were analyzed. In addition, the optimized conditions for increasing the production of ginsenosides and polysaccharides were discussed. This review provides references for the use of modern biotechnology to improve the production of bioactive compounds from American ginseng, as well as references for the development and sustainable utilization of American ginseng resources.
Whole‐exome sequencing identified mutational profile of a case with T‐cell chronic lymphocytic leukemia
Authors: Nozaki Kenji , Yokota Takafumi , Itotagawa Eri , Tsutsumi Kazuhito , Kusakabe Shinsuke , Morikawa Yoichiro , Fujita Jiro , Fukushima Kentaro , Maeda Tetsuo , Shibayama Hirohiko , Hosen Naoki , Kumanogo Atsushi , Kanakura Yuzuru 
Published: July 2020

AbstractWe believe that our report and further case reports on T‐cell chronic lymphocytic leukemia with genetic profile will contribute to the molecular classification of this rare but distinct disease.
Nitrate Radical Facilitates Indirect Benzyl Alcohol Oxidation on Bismuth(III) Vanadate Photoelectrodes
Authors: Terry Bradley D. , DiMeglio John L. , Cousineau John P. , Bartlett Bart M. 
Published: July 2020

AbstractBismuth(III) vanadate (BiVO4) films show activity for direct benzyl alcohol (PhCH2OH) oxidation to benzaldehyde (PhCHO) in acetonitrile solvent. Introducing tetrabutylammonium nitrate (Bu4NNO3) drastically reduces the overpotential required to generate the PhCHO product while maintaining a high faradaic efficiency (FE) >90 %. BiVO4 corrosion accompanies PhCH2OH oxidation. However, the presence of nitrate ions (NO3−) results in significantly less bismuth‐ and vanadium‐ion leaching (determined by ICP‐MS analysis), as well as reduced surface roughening (determined by SEM imaging). In this reaction, it is proposed that rate‐determining NO3− oxidation generates a highly reactive nitrate radical (NO3⋅) that reacts with PhCH2OH by hydrogen‐atom abstraction (HAT). NO3− is stoichiometrically consumed by the irreversible formation of electrochemically inert HNO3, characterized by an ECi mechanism, rather than a catalytic EC′ mechanism. In the presence of PhCH2OH, NO3− oxidation on BiVO4 becomes more facile; every order of magnitude increase in PhCH2OH concentration shifts the NO3−/ NO3⋅ equilibrium potential negatively by 200 mV. The shift results from the introduction of a consumption pathway for the nitrate radical intermediate via a coupled chemical step with benzyl alcohol. This report is the first example of photoelectrochemical NO3⋅ generation to initiate indirect PhCH2OH oxidation.
Ru‐Doping Enhanced Electrocatalysis of Metal–Organic Framework Nanosheets toward Overall Water Splitting
Authors: Zhao Ming , Li Huilin , Li Wei , Li Junying , Yi Lingya , Hu Weihua , Li Chang Ming 
Published: July 2020

AbstractAn Ru‐doping strategy is reported to substantially improve both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) electrocatalytic activity of Ni/Fe‐based metal–organic framework (MOF) for overall water splitting. As‐synthesized Ru‐doped Ni/Fe MIL‐53 MOF nanosheets grown on nickel foam (MIL‐53(Ru‐NiFe)@NF) afford HER and OER current density of 50 mA cm−2 at an overpotential of 62 and 210 mV, respectively, in alkaline solution with a nominal Ru loading of ≈110 μg cm−2. When using as both anodic and cathodic (pre‐)catalyst, MIL‐53(Ru‐NiFe)@NF enables overall water splitting at a current density of 50 mA cm−2 for a cell voltage of 1.6 V without iR compensation, which is much superior to state‐of‐the‐art RuO2‐Pt/C‐based electrolyzer. It is discovered that the Ru‐doping considerably modulates the growth of MOF to form thin nanosheets, and enhances the intrinsic HER electrocatalytic activity by accelerating the sluggish Volmer step and improving the intermediate oxygen adsorption for increased OER catalytic activity.
Aryl Triflates in On‐Surface Chemistry
Authors: Ren Jindong , Klaasen Henning , Witteler Melanie C. , Viergutz Lena , Neugebauer Johannes , Gao Hong‐Ying , Studer Armido , Fuchs Harald 
Published: July 2020

AbstractThe reactivity of aryl triflates in on‐surface C−C coupling is reported. It is shown that the triflate group in aryl triflates enables regioselective homo coupling with preceding or concomitant hydrodetriflation on Cu(111). Three different symmetrical π‐systems with two and three triflate functionalities were used as monomers leading to oligomeric conjugated π‐systems. The cascade, comprising different intermediates at different reaction temperatures as observed for one of the molecules, proceeds via initial removal of the trifluoromethyl sulfonyl group to give an aryloxy radical which in turn is deoxygenated to the corresponding aryl radical. Thermodynamically driven regioselective 1,2‐hydrogen atom transfer leads to a translocated aryl radical which in turn undergoes coupling. For a sterically more hindered bistriflate, where one ortho position was blocked, dehydrogenative coupling occurred at remote position with good regioselectivity. Starting materials, intermediates as well as products were analyzed by scanning tunneling microscopy. Structures and suggested mechanism were further supported by DFT calculations.
Synthesis of New Donor‐Substituted Biphenyls: Pre‐ligands for Highly Luminescent (C^C^D) Gold(III) Pincer Complexes
Authors: Feuerstein Wolfram , Holzer Christof , Gui Xin , Neumeier Lilly , Klopper Wim , Breher Frank 
Published: July 2020

AbstractWe herein report on new synthetic strategies for the preparation of pyridine and imidazole substituted 2,2’‐dihalo biphenyls. These structures are pre‐ligands suitable for the preparation of respective stannoles. The latter can successfully be transmetalated to K[AuCl4] forming non‐palindromic [(C^C^D)AuIII] pincer complexes featuring a lateral pyridine (D=N) or N‐heterocyclic carbene (NHC, D=C’) donor. The latter is the first report on a pincer complex with two formally anionic sp2and one carbenic carbon donor. The [(C^C^D)AuIII] complexes show intense phosphorescence in solution at room temperature. We discuss the developed multistep strategy and touch upon synthetic challenges. The prepared complexes have been fully characterized including X‐ray diffraction analysis. The gold(III) complexes’ photophysical properties have been investigated by absorption and emission spectroscopy as well as quantum chemical calculations on the quasi‐relativistic two‐component TD‐DFT andGW/Bethe–Salpeter level including spin–orbit coupling. Thus, we shed light on the electronic influence of the non‐palindromic pincer ligand and reveal non‐radiative relaxation pathways of the different ligands employed.
Concise Synthesis of 1,4‐Benzoquinone‐Based Natural Products as Mitochondrial Complex I Substrates and Substrate‐Based Inhibitors
Authors: Han Zhenyu , Angerer Heike , Bischoff Iris , Qin Yihan , Stegmann Dennis , Tuz Karina , Fritz Günter , Juarez Oscar , Fürst Robert , Lashley Dana , Nasiri Hamid R. 
Published: July 2020

AbstractA short, efficient one‐step synthesis of 2‐methyl‐5‐(3‐methyl‐2‐butenyl)‐1,4‐benzoquinone, a natural product from Pyrola media is described. The synthesis is based on a direct late C−H functionalization of the quinone scaffold. The formation of the natural product was confirmed by means of 2D‐NMR spectroscopy. Additional derivatives were synthesized and tested alongside the natural product as potential substrate and substrate‐based inhibitors of mitochondrial complex I (MCI). The structure‐activity relationship study led to the discovery of 3‐methylbuteneoxide‐1,4‐anthraquinone (1 i), an inhibitor with an IC50 of 5 μM against MCI. The identified molecule showed high selectivity for MCI when tested against other quinone‐converting enzymes, including succinate dehydrogenase, and the Na (+)‐translocating NADH:quinone oxidoreductase. Moreover, the identified inhibitor was also active in cell‐based proliferation assays. Therefore, 1 i can be considered as a novel chemical probe for MCI.