bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis and biological evaluation of sphingosine kinase 2 inhibitors with anti‐inflammatory activity
Authors: Vettorazzi Marcela , Vila Laura , Lima Santiago , Acosta Lina , Yépes Felipe , Palma Alirio , Cobo Justo , Tengler Jan , Malik Ivan , Alvarez Sergio , Marqués Patrice , Cabedo Nuria , Sanz María J. , Jampilek Josef , Spiegel Sarah , Enriz Ricardo D. 
Published: January 2019

AbstractThe synthesis of inhibitors of SphK2 with novel structural scaffolds is reported. These compounds were designed from a molecular modeling study, in which the molecular interactions stabilizing the different complexes were taken into account. Particularly interesting is that 7‐bromo‐2‐(2‐phenylethyl)‐2,3,4,5‐tetrahydro‐1,4‐epoxynaphtho[1,2‐b]azepine, which is a selective inhibitor of SphK2, does not exert any cytotoxic effects and has a potent anti‐inflammatory effect. It was found to inhibit mononuclear cell adhesion to the dysfunctional endothelium with minimal impact on neutrophil–endothelial cell interactions. The information obtained from our theoretical and experimental study can be useful in the search for inhibitors of SphK2 that play a prominent role in different diseases, especially in inflammatory and cardiovascular disorders.
A novel screening method for potential naringinase‐producing microorganisms
Authors: Patil Satish V. , Koli Sunil H. , Mohite Bhavana V. , Patil Rahul P. , Patil Rohini R. , Borase Hemant P. , Patil Vikas S. 
Published: January 2019

AbstractNaringinase has high industrial importance, and the progress in naringinase research is still quite slow. The unavailability of an effective, simple screening method, which will be applicable to different microorganisms such as bacteria, fungi, and actinomycetes, is one of the main reasons for this gap. Therefore, a simple plate assay was developed for effective screening of microorganisms for naringinase by exposing to iodine vapors. This plate assay will fill the technological void for simple screening method and will lead to screen more potent industrially important naringinase‐producing microorganisms.
Elusive Dehydroalanine Derivatives with Enhanced Reactivity
Authors: Aydillo Carlos , Mazo Nuria , Navo Claudio D. , Jiménez‐Osés Gonzalo 
Published: January 2019

AbstractFor the first time, a simple methodology for the chemical synthesis and use of highly reactive 4‐methylenoxazol‐5(4H)‐ones from serine is presented. These dehydroalanine derivatives, which resemble the natural 4‐methylidenimidazole‐5‐one (MIO) cofactor present in lyases and aminomutases, undergo rapid reaction with carbon nucleophiles such as silyl enol ethers, as well as cycloaddition reactions with diazo compounds and reactive dienes, under very mild conditions and without any need for metal catalysts or ring‐strain activation, offering potential for bioconjugation.
Bimodal Detection of Proteins by 129Xe NMR and Fluorescence Spectroscopy
Authors: Mari Emilie , Bousmah Yasmina , Boutin Céline , Léonce Estelle , Milanole Gaelle , Brotin Thierry , Berthault Patrick , Erard Marie 
Published: January 2019

AbstractA full understanding of biological phenomena involves sensitive and noninvasive detection. Herein, we report the optimization of a probe for intracellular proteins that combines the advantages of fluorescence and hyperpolarized 129Xe NMR spectroscopy detection. The fluorescence detection part is composed of six residues containing a tetracysteine tag (−CCXXCC−) genetically incorporated into the protein of interest and of a small organic molecule, CrAsH. CrAsH becomes fluorescent if it binds to the tetracysteine tag. The part of the biosensor that enables detection by means of 129Xe NMR spectroscopy, which is linked to the CrAsH moiety by a spacer, is based on a cryptophane core that is fully suited to reversibly host xenon. Three different peptides, containing the tetracysteine tag and four organic biosensors of different stereochemistry, are benchmarked to propose the best couple that is fully suited for the in vitro detection of proteins.
Emissive Synthetic Cofactors: A Highly Responsive NAD+Analogue Reveals Biomolecular Recognition Features
Authors: Feldmann Jonas , Li Yao , Tor Yitzhak 
Published: January 2019

AbstractApart from its vital function as a redox cofactor, nicotinamide adenine dinucleotide (NAD+) has emerged as a crucial substrate forNAD+‐consuming enzymes, including poly(ADP‐ribosyl)transferase 1 (PARP1) and CD38/CD157. Their association with severe diseases, such as cancer, Alzheimer's disease, and depressions, necessitates the development of new analytical tools based on traceableNAD+surrogates. Here, the synthesis, photophysics and biochemical utilization of an emissive, thieno[3,4‐d]pyrimidine‐basedNAD+surrogate, termedNthAD+, are described. Its preparation was accomplished by enzymatic conversion of syntheticthATPby nicotinamide mononucleotide adenylyltransferase 1 (NMNAT1). The new NAD+analogue possesses useful photophysical features including redshifted absorption and emission maxima as well as a relatively high quantum yield. Serving as a versatile substrate,NthAD+was reduced by alcohol dehydrogenase (ADH) toNthADHand affordedthADP‐ribose (thADPr) upon hydrolysis byNAD+‐nucleosidase (NADase). Furthermore,NthAD+was engaged in cholera toxin A (CTA)‐catalyzed mono(thADP‐ribosyl)ation, but was found incapable in promoting PARP1‐mediated poly(thADP‐ribosyl)ation. Due to its high photophysical responsiveness,NthAD+is suited for spectroscopic real‐time monitoring. Intriguingly, and as an N7‐lacking NAD+surrogate, the thieno‐based cofactor showed reduced compatibility (i.e., functional similarity compared to nativeNAD+) relative to its isothiazolo‐based analogue. The distinct tolerance, displayed by diverse NAD+producing and consuming enzymes, suggests unique biological recognition features and dependency on the purine N7 moiety, which is found to be of importance, if not essential, for PARP1‐mediated reactions.
Thermally Activated Delayed Fluorescence Materials: Towards Realization of High Efficiency through Strategic Small Molecular Design
Authors: Liang Xiao , Tu Zhen‐Long , Zheng You‐Xuan 
Published: January 2019

AbstractThermally activated delayed fluorescence (TADF) is one of the most intriguing and promising discoveries towards realization of highly‐efficient organic light emitting diodes (OLED) utilizing small molecules as emitters. It has the capability of manifesting all excitons generated during the electroluminescent processes, consequently achieving 100 % of internal quantum efficiency. Since the report of the first efficient OLED based on a TADF small molecule in 2012 by Adachi et al., the quest for optimal TADF materials for OLED application has never stopped. Various TADF molecules bearing different design concepts and strategies have been designed and produced, with the aim to boost the overall performances of corresponding OLEDs. In this minireview, the general principles of TADF molecular design based on three basic categories of TADF species: twisted intramolecular charge transfer (TICT), through‐space charge transfer (TSCT) and multi‐resonance induced TADF (MR‐TADF) are discussed in detail. Several key aspects with respect to each category, as well as some effective methods to enhance the efficiency of TADF materials and corresponding OLEDs from the molecular engineering perspectives, are summarized and discussed to exhibit a general landscape of TADF molecular design to a wide variety of scientific researchers within this particular disciplinary area.
Extremely Photostable Electron‐Deficient Phthalocyanines that Generate High Levels of Singlet Oxygen
Authors: Furuyama Taniyuki , Miyaji Yusuke , Maeda Kazuya , Maeda Hajime , Segi Masahito 
Published: January 2019

AbstractInvited for the cover of this issue is the group of Taniyuki Furuyama at Kanazawa University. The image depicts photostable electron‐withdrawing group substituted phthalocyanine against singlet oxygen. Read the full text of the article at 10.1002/chem.201805082.
Anti‐Markovnikov Hydroazidation of Alkenes by Visible‐Light Photoredox Catalysis
Authors: Wang Juan‐Juan , Yu Wei 
Published: January 2019

AbstractThe anti‐Markovnikov hydroazidation of alkenes has been accomplished under visible‐light irradiation by using [Ir(dF(CF3)ppy)2(dtbbpy)]PF6 as the photocatalyst and trimethylsilyl azide as the azidating agent. The reactions were greatly facilitated by water, the beneficial effect of which can be attributed to its participation in the reaction as the hydrogen donor, as indicated by deuterium isotope experiments. The reactions proceed under solvent free conditions in the presence of water. 4‐Dimethylaminopyridine also exhibited a beneficial effect on the reactions. The present method enabled hydroazidation of several types of unactivated alkenes with good yields and high regioselectivity.
Hydride Pinning Pathway in the Hydrogenation of CO2 to Formic Acid on Dimeric Tin Dioxide
Authors: Sarma Plaban Jyoti , Baruah Satyajit Dey , Logsdail Andrew , Deka Ramesh Chandra 
Published: January 2019

AbstractCapture of CO2 and its conversion into organic feedstocks are increasingly needed as society moves towards a renewable energy economy. Here, a hydride‐assisted selective reduction pathway is proposed for the conversion of CO2 to formic acid (FA) over SnO2 monomers and dimers. Our density functional theory calculations infer a strong chemisorption of CO2 on SnO2 clusters forming a carbonate structure, whereas heterolytic cleavage of H2 provides a new pathway for the selective reduction of CO2 to formic acid at low overpotential. Among the two investigated pathways for reduction of CO2 to HCOOH, the hydride pinning pathway is found promising with a unique selectivity for HCOOH. The negatively‐charged hydride forms on the cluster during the dissociation of H2 and facilitates the formation of a formate intermediate, which determines the selectivity for FA over the alternative CO and H2 evolution reaction. It is confirmed that SnO2 clusters exhibit a different catalytic behaviour from their surface equivalents, thus offering promise for future work investigating the reduction of CO2 to FA via a hydride pinning pathway at low overpotential and CO2 capturing.
The effects of e‐cigarette minimum legal sale age laws on youth substance use
Authors: Dave Dhaval , Feng Bo , Pesko Michael F. 
Published: January 2019

AbstractWe use difference‐in‐differences models and individual‐level data from the national and state Youth Risk Behavior Surveillance System from 2005 to 2015 to examine the effects of e‐cigarette minimum legal sale age (MLSA) laws on youth cigarette smoking, alcohol consumption, and marijuana use. Our results suggest that these laws increased youth smoking participation by about one percentage point and approximately half of the increased smoking participation could be attributed to smoking initiation. We find little evidence of higher cigarette smoking persisting beyond the point at which youth age out of the laws. Our results also show little effect of the laws on youth drinking, binge drinking, and marijuana use. Taking these together, our findings suggest a possible unintended effect of e‐cigarette MLSA laws—rising cigarette use in the short term while youth are restricted from purchasing e‐cigarettes.
Order flow dynamics for prediction of order cancelation and applications to detect market manipulation
Authors: Martínez Miranda Enrique , Phelps Steve , Howard Matthew J. 
Published: January 2019

AbstractIn this work, a methodology is proposed to detect and predict the intention of cancelation of a large order at an optimal event‐time horizon by analyzing real order flow market data. We achieve this by reconstructing the full history of the limit order book and formulate the case as a binary classification supervised learning problem. The results presented in this study suggest that using the information at the microstructure level of the order book is highly efficient for predicting and detecting the cancelation of the large order than using information at the macrostructure level, and that predicting the cancelation is marginally outperformed by the detection case. With this, we make a step forward in identifying potential orders related to price manipulation but the results can be used by institutional traders to anticipate adversary market impact produced by large orders.
Knockdown of TRIM27 expression suppresses the dysfunction of mesangial cells in lupus nephritis by FoxO1 pathway
Authors: Liu Jinxi , Feng Xiaojuan , Tian Yu , Wang Kexin , Gao Fan , Yang Lin , Li Hongbo , Tian Yuexin , Yang Ran , Zhao lu , Miao Xinyan , Huang Jie , Liu Qingjuan , Zhang Wei , Li Yuzhe , Wang Chunlin , Duan Huijun , Liu Shuxia 
Published: January 2019

AbstractTRIM27 (tripartite motif‐containing 27) is a member of the TRIM (tripartite motif) protein family and participates in a variety of biological processes. Some research has reported that TRIM27 was highly expressed in certain kinds of carcinoma cells and tissues and played an important role in the proliferation of carcinoma cells. However, whether TRIM27 takes part in the progression of lupus nephritis (LN) especially in cells proliferation remains unclear. Our study revealed that the overexpression of TRIM27 was observed in the kidneys of patients with LN, lupus mice and mesangial cells exposed to LN plasma which correlated with the proliferation of mesangial cells and ECM (extracellular matrix) deposition. Downregulation of TRIM27 expression suppressed the proliferation of mesangial cells and ECM accumulation in MRL/lpr mice and cultured human mesangial cells (HMCs) by regulating the FoxO1 pathway. Furthermore, the overexpression of FoxO1 remarkably decreased HMCs proliferation level and ECM accumulation in LN plasma‐treated HMCs. In addition, the protein kinase B (Akt) signal pathway inhibitor LY294002 significantly reduced the expression of TRIM27 and inhibited the dysfunction of mesangial cells. These above data suggested that TRIM27 mediated abnormal mesangial cell proliferation in kidney of lupus and might be the potential target for treating mesangial cell proliferation of lupus nephritis.
Differential regulation of vacuolar H+‐ATPase subunits by transforming growth factor‐β1 in salivary ducts
Authors: Kluge Milena , Namkoong Eun , Khakipoor Shokoufeh , Park Kyungpyo , Roussa Eleni 
Published: January 2019

AbstractBicarbonate concentration in saliva is controlled by the action of acid–base transporters in salivary duct cells. We show for the first time expression of ATP6V1B1 in submandibular gland and introduce transforming growth factor‐beta (TGF‐β) as a novel regulator of V‐ATPase subunits. Using QRT‐PCR, immunoblotting, biotinylation of surface proteins, immunofluorescence, chromatin immunoprecipitation, and intracellular H(+) recording with H(+)‐sensitive dye 2′,7′‐bis‐(carboxyethyl)‐5‐(and‐6)‐carboxyfluorescein we show that in the human submandibular gland (HSG) cell line, activation of TGF‐β signaling upregulates ATP6V1E1 and ATP6V1B2, downregulates ATP6V1B1, and has no effect on ATP6V1A. TGF‐β1 effects on ATP6V1B1 are mediated through the canonical, the soluble adenylate cyclase, and ERK signaling. A CREB binding sequence was identified in the ATP6V1B1 promoter and CREB binding decreased after TGF‐β1 treatment. Following acidosis, a bafilomycin‐sensitive and Na+‐independent cell pH recovery was observed in HSG cells, an effect that was not influenced after disruption of acidic lysosomes. Moreover, neutralization of TGF‐βs, inhibition of TGF‐β receptor, or inhibition of the canonical pathway decreased membrane expression of ATP6V1A and prevented the acidosis‐induced increased V‐ATPase activity. The results suggest multiple modes of action of TGF‐β1 on V‐ATPase subunits in HSG cells: TGF‐β1 may regulate transcription or protein synthesis of certain subunits and trafficking of other subunits in a context‐dependent manner. Moreover, surface V‐ATPase is active in salivary duct cells and involved in intracellular pH regulation following acidosis.
Dissociation pathways of protic ionic liquid clusters: Alkylammonium nitrates
Authors: Patrick Amanda L. , Annesley Christopher J. 
Published: January 2019

AbstractProtic ionic liquids are promising candidates for many applications, including as spacecraft propellants. For both fundamental interest and understanding clustering and dissociation during electrospray‐based propulsion, it is useful to explore the dissociation pathways of protic ionic liquid clusters, as well as the factors affecting the relative contributions of each pathway to the observed MS/MS spectra. With that said, most of the published reports on ionic liquid cluster dissociation have focused on aprotic ionic liquids. The purpose of the current work is to explore the dissociation pathways (eg, loss of amine, nitric acid, or ion pair) of alkylammonium nitrates using energy‐resolved collision‐induced dissociation. Here, it was found that, in general, protic ionic liquids have multiple dissociation pathways—namely, protic ionic liquids can lose their neutralized cation (here, an alkylamine) or neutralized anion (here, nitric acid)—in addition to the ion pair dissociation familiar to aprotic salt and aprotic ionic liquid clusters. In general, increasing the basicity of the cation (here, through increasing the degree of alkylation) decreases the propensity to follow these alternative pathways. Interestingly, increasing the cluster size has a similar effect: as cluster size increases, nitric acid loss decreases. These results will help better model and design protic ionic liquids for electrospray‐based spacecraft propulsion and help provide a better understanding for the general behavior of protic ionic liquids versus aprotic ionic liquids within mass spectrometers.
Hydralazine derivative of aldehyde: A new type of [M − H]+ ion formed in electrospray ionization mass spectrometry
Authors: Xiao Hua‐Ming , Wang Xian , Yang Xing , Zheng Feng , Feng Yu‐Qi 
Published: January 2019

AbstractHydralazine has been widely employed in the development of drugs, derivatization reagents, and ligands. In the present work, we reported a new type of dehydrogenated ion [M − H]+ that was produced from the hydralazine derivative of hexanal in electrospray ionization mass spectrometry (ESI‐MS). The formation of [M − H]+ ions in the ESI‐MS was found to be independent on the mobile phase composition of the liquid chromatography and ESI source parameters. A series of hydralazine derivatives of aldehyde were investigated to confirm this phenomenon. The results showed that hydralazine derivatives of aldehydes that contained an sp3 hybridization carbon with a hydrogen at the α‐position of aldehydes could form the unexpected [M − H]+ ions, whereas hydralazine derivative of acetone could only generate [M + H]+ ion in the ESI‐MS. We proposed the possible formation mechanism of [M − H]+ ion for the hydralazine derivatives of aldehydes: the [M − H]+ ion was possibly formed by the loss a hydrogen molecule (H2) from the protonated ion [M + H]+. The results obtained from density functional theory (DFT) calculations supported this proposed formation mechanism of [M − H]+ ion.
Are servant leaders appreciated? An investigation of how relational attributions influence employee feelings of gratitude and prosocial behaviors
Authors: Sun Jiaqing , Liden Robert C. , Ouyang Linyi 
Published: January 2019

SummaryMultisource data collected at three time phases were used in investigating when servant leadership elicits gratitude and then promotes prosocial behaviors. We tested a moderated mediation model, contending that relational attributions moderate the relationship between servant leadership and gratitude, and then gratitude sequentially predicts interpersonal citizenship behaviors and upward voice. As hypothesized, when employees do not highly rely on relational attributions for servant leadership, they feel more gratitude and subsequently engage in more interpersonal citizenship behaviors and upward voice than the employees who rely on relational attributions to explain their interactions with the leader. The sequential indirect effect from servant leadership to upward voice via gratitude and then interpersonal citizenship behaviors was significant when relational attributions are low rather than high.
Carnoy's solution fixation with compression significantly increases the number of lymph nodes yielded from colorectal cancer specimens
Authors: Flynn Sean M. , Burchette Raoul J. , Ghassemi Majid , Ratner Oleg , Mandel Danielle , Tomassi Marco J. , Klaristenfeld Daniel D. 
Published: January 2019

Background and ObjectivesCarnoy's fixation and compression represents a novel technique to enhance lymph node evaluation and accuracy of staging after colorectal cancer resection.MethodsThis study was performed in all adults undergoing colorectal cancer operations by Kaiser Permanente surgeons at two separate facilities. Patients were assigned to either location based upon surgeon and patient availability. One group of patients had their lymph nodes examined with current standard manual technique (MT). The other group had their specimens fixed with Carnoy's solution and then compressed (CT) to assess for lymph nodes.ResultsA total of 157 patients were enrolled. Seventy‐eight patient specimens underwent MT and 79 patient specimens underwent the new compression technique (CT). CT resulted in a significant increase in total lymph node yield per specimen (37.6 ± 18.5 nodes with CT vs 18.9 ± 8.8 nodes with MT; P < 0.0001). CT also resulted in sufficient lymph node sampling (>12 nodes) in all 79 patients in the group compared with 13 of 78 patients (17%) with an insufficient lymph node evaluation in the MT group (
P = 0.0002).ConclusionThis study demonstrated that Carnoy's fixation with compression can significantly increase lymph node yields in colorectal cancer specimens and allow for a higher rate of adequate lymph node sampling.
Correlation between serum prealbumin and prognosis of patients with hepatocellular carcinoma after hepatectomy
Authors: Jia Rong‐Rong , Zhong Jian‐Hong , Huo Rong‐Rui , Su Qi‐Bin , Xiang Xiao , Zhao Fu‐Lin , Qin Zhong‐Bian , Chen Jia‐Hao , Liao Ying‐Yang , Ma Liang , Xiang Bang‐De , Zhang Chun‐Yan , Li Le‐Qun 
Published: January 2019

ObjectiveTo determine whether serum prealbumin levels are associated with long‐term survival after hepatectomy in patients with primary hepatocellular carcinoma(HCC).MethodsA consecutive sample of 526 patients with HCC who underwent potentially curative hepatectomy from August 2007 to August 2010 was retrospectively analyzed. Patients were classified as having normal or reduced serum prealbumin based on cut‐off values of 200 or 182 mg/L.ResultsMultivariate analysis identified the preoperative level of serum prealbumin as an independent prognostic factor of long‐term survival (P < 0.05): Survival was significantly better for those with normal levels than for those with reduced levels, based on either cut‐off value. Similar results were observed in subgroup analyses based on the degree of cirrhosis, level of ɑ‐fetoprotein and Barcelona Clinic Liver Cancer stage.ConclusionsPreoperative level of serum prealbumin may be useful for predicting long‐term survival in patients with HCC after hepatectomy.