bluuebunny/crossref_metadata_2025_split huggingface dataset:
Study of the impurity profile and polymerized impurity in mezlocillin sodium by multiple heart‐cutting two‐dimensional liquid chromatography coupled with ion trap time‐of‐flight mass spectrometry
Authors: Wang Jian , Zhou Jinjin , Xu Yu , Zhu Bingqi , Li Huiyi 
Published: May 2019

RationaleEleven impurities and one polymerized impurity in mezlocillin were identified and their formation mechanisms were investigated in this study. The sources and reasons for the formation of impurities were revealed, which may guide industry to improve the manufacturing process and storage conditions and reduce the content of impurities in products. The results from this study also provided a scientific basis for the improvement of official monographs in pharmacopoeias.MethodsThe impurity profiles and polymerized impurity in mezlocillin were studied by multiple heart‐cutting two‐dimensional liquid chromatography coupled with ion trap time‐of‐flight mass spectrometry (2D‐LC/IT‐TOF MS) in both positive and negative modes of electrospray ionization. Target eluents from the first dimensional chromatography with a non‐volatile mobile phase were trapped and sent to the second dimensional chromatography with a volatile mobile phase by a switching valve. The structures of the impurities in the mezlocillin drug substance were deduced based on the high‐resolution MSn data.ResultsIn the environment of water, oxygen, high temperature, acid and base, a series of degradation products could be easily produced from mezlocillin. Mezlocillin was hydrolyzed into impurities I, IV, V and X, and was degraded into impurity III by methanolysis. Mezlocillin was oxidized into sulfoxide by producing impurity XI. Furthermore, impurities VI, VII, VII and IX were all isomers of mezlocillin. The proposed formation pathways of these products were demonstrated in this study.ConclusionsEleven degradation impurities and one polymerized impurity in mezlocillin were separated and characterized. Based on characterization of impurities, this study discovered the mechanism of impurity production and provided guidance for manufacturers to improve the process and storage conditions and reduce levels of impurities.
Identification of absorbed components and their metabolites in rat plasma after oral administration of Shufeng Jiedu capsule using ultra‐performance liquid chromatography/quadrupole time‐of‐flight mass spectrometry
Authors: Liu Xinyi , Zhang Hongbing , Xu Jun , Gong Suxiao , Han Yanqi , Zhang Tiejun , Liu Changxiao 
Published: May 2019

RationaleShufeng Jiedu capsule (SFJDC), a prescription of traditional Chinese medicine, is mainly used for the treatment of acute upper respiratory tract infections. However, the bioactive components remain unclear, which partly limits its quality control and further development. This work aimed to carry out a study of plasma pharmacochemistry to identify the potential bioactive components of SFJDC.MethodsAn effective approach based on a combination of ultra‐performance liquid chromatography/quadrupole time‐of‐flight mass spectrometry (UPLC/QTOF‐MS) and multivariate statistical analysis was applied to comprehensively analyze the absorbed components and their metabolites in rat plasma after oral administration of SFJDC. After UPLC/QTOF‐MS detection, the differences between control and dosed plasma samples were distinguished by multivariate statistical analysis, and chromatographic signals of xenobiotic compounds were further extracted to identify structures.ResultsA total of 46 SFJDC‐related xenobiotic compounds were identified as potential bioactive components in rat plasma. Among these, 27 absorbed prototype constituents were mainly flavonoids, anthraquinones, stilbenes, iridoids, lignans, naphthalenes, phenylethanoid glycosides and triterpenoid saponins. Especially for hastatoside, verbenalin, forsythoside A, phillyrin and emodin, they were closely related to the anti‐inflammatory effect of SFJDC.ConclusionsThe absorbed components and metabolites of SFJDC in rat plasma were analyzed for the first time. This study will be conducive for ascertaining the quality markers of SFJDC for quality control and pharmacological mechanism research at the molecular level.
Preliminary investigation of aluminium fluoride complexes in aqueous solutions with capillary electrophoresis coupled with electrospray ionization mass spectrometry and with inductively coupled plasma mass spectrometry
Authors: Tanaka Miho , Hoshino Yoko , Nakamoto Daisuke 
Published: May 2019

RationaleIt is crucial to identify and confirm the original species of aluminium ions (Al3+) dissolved in water, since they behave differently. Depending on their species, the toxicity differs. Capillary electrophoresis (CE) coupled with electrospray ionization mass spectrometry (ESI‐MS) and CE coupled with inductively coupled plasma mass spectrometry (CE/ICP‐MS) were explored to identify and determine simple systems of Al species solutions at pH 3.0.MethodsThe new combinations of techniques, namely, ESI‐MS coupled with CE for identification of species and ICP‐MS coupled with CE for confirmation, were appliedtofor the analyses of Al and fluoride (F) solutions.ResultsAl monomers, some Al dimers and trimers were detected by CE/ESI‐MS. CE/ICP‐MS experiments were conducted with the assembled interface. As a result, the calibration line showed R2 = 0.9856, and the detection limits were 35 nL and 0.037 μM. The results were compared with data obtained using MINEQL+.ConclusionsMost of the Al species detected were monomers; some dimers and trimers were detected by CE/ESI‐MS, but they were not detected by CE‐ICP‐MS, probably owing to extremely low concentrations. The Al speciation technique was improved by CE/ESI‐MS, and the Al species present at extremely low concentrations were ascertained by CE/ICP‐MS. The use of coupled instruments will be one of the most powerful tools for identifying dissolved metal ions.
Quantitative Structure Activity Relationships Study of Soluble Epoxide Hydrolase Inhibitors Using MLR, ANN, CoMFA and CoMSIA Methods
Authors: Nazari Maryam , Tabatabai Sayyed Abbas , Rezaee Elham 
Published: May 2019

AbstractSoluble epoxide hydrolase (sEH), a member of the α/β hydrolase fold family, catalyzes the hydrolysis of epoxy eicosatrienoic acids to vicinal diol which are involved in the regulation of blood pressure and inflammation. In this study, 2D and 3D‐QSAR analysis of novel N,N′‐disubstituted urea derivatives as sEH inhibitors were performed by stepwise multiple linear regressions (SW‐MLR), stepwise artificial neural networks (SW‐ANN), Comparative Molecular Field Analysis (CoMFA) and comparative molecular similarity index analysis (CoMSIA). It was found that SW‐MLR model with r2 of 0.954 for the training set and r2 of 0.876 for the test set were more favorable than model established by CoMFA method with r2=0.983, r2pred=0.602 and CoMSIA with r2=0.987, r2pred=0.751 in 3D‐QSAR. In addition, obtaining models were validated by cross validation with cut off value of q2> 0.5. These developed models could be a useful guideline to design and predict the activity of novel compounds with enhanced sEH inhibitory activities.
Design and Synthesis of Novel Functionalized Fused Oxazepine and Diazepine Analogues Containing Coumarin Backbone through Domino Reaction
Authors: Poursan Samane , Ahadi Somayeh , Balalaie Saeed , Rominger Frank , Bijanzadeh Hamid Reza 
Published: May 2019

AbstractA simple and straightforward approach has been developed for the synthesis of functionalized fused oxazepine and diazepine analogues containing coumarin backbone. The approach was done through three‐component reaction of 4‐chloro‐3‐formylcoumarin, triphenyl‐λ5‐phosphanylidene derivatives and 2‐aminophenol or o‐phenylenediamine derivatives in the presence of cesium carbonate at room temperature. Carrying out the same reaction without base led to 4‐aminoarylcoumarins. Mild reaction conditions and synthesis of fused functionalized heterocyclic backbones are advantages of this approach.
Synthesis and Characterization of 5,10,15,20‐Tetrakis(4‐ethylphenyl)porphyrin and (Zn2+, Mn2+, Sn2+, Ni2+, Al3+, V3+)‐Derivatives: Photophysical and DFT study
Authors: Espitia‐Almeida Fabian , Díaz‐Uribe Carlos , Vallejo William , Gómez‐Camargo Doris , Romero‐Bohorquez Arnold R. , Schott Eduardo , Zarate Ximena 
Published: May 2019

AbstractA novel family of porphyrins based on 5,10,15,20‐Tetrakis(4‐ethylphenyl)porphyrin (1) and six metallo‐derivatives (Zn2+(2), Sn2+(3), Mn2+ (4), Ni2+ (5), Al3+ (6) and V3+ (7)) were synthesized via the Alder‐cols method (synthesis yield between 59%‐75%) and characterized through 1H‐ and 13C‐ NMR, MALDI‐TOF mass spectrometry and FT‐IR assay. Photophysical study was carried out by UV‐Vis and fluorescence spectrophotometry with the aim of assessing their potential as dye sensitizers for photodynamic therapy (PDT). In this regard, fluorescence quantum yield values are between 0.002‐0.38, being the macrocycle 3, the porphyrin with the highest fluorescence quantum yield while the derivative 7 showed the lowest value. Quantum chemical calculations were carried out to study the molecular structure of the porphyrins and to get insight of the luminescent process for 1, which is the free metal system and 3 which includes Sn2+ as metal center. Results indicated that the emissive states involve the transitions with LLCT character for 1, while for 3 it is ML–LCT. This fact evidenced the metal effects on their photophysical properties. Finally, optical and spectroscopic properties and besides, DFT study suggest that 3 could be used as sensitizer in photodynamic therapy applications.
Monochlorotriazinyl‐β‐cyclodextrin Grafted on Graphene Oxide as an Attractive Green Heterogeneous Nanoreactor for Selective Oxidation Reaction with NBS in Water
Authors: Pour Shadi Rasoul , Dinari Mohammad , Abdolmaleki Amir 
Published: May 2019

AbstractGraphene oxide supported monochlorotriazinyl‐β‐cyclodextrin (GO‐MCT‐ β‐CD) as a green nanoreactor was synthesized via a simple chemical bonding method and analyzed by XRD, FT‐IR, CHNS, FESEM and Raman spectroscopy. The prepared GO‐MCT‐β‐CD worked as a nanoreactor for the green oxidation reactions of benzyl alcohol derivatives with N‐bromo succinimide to their corresponding aldehydes under green conditions. Depending on the different substituents of various benzyl alcohols, good to excellent yields were obtained and no over‐oxidation was observed. It can be considered an attractive methodology due to the use of water in the presence of “solid metal‐free nanoreactor” as a green reaction system at the room temperature. Easy separation and excellent reusability of the catalyst were other advantages of this methodology.
Electrochemical Determination of Ascorbic Acid Based on AgNPs/PVP‐Modified Glassy Carbon Electrode
Authors: Karaboduk Kuddusi 
Published: May 2019

AbstractThe electrochemical determination of ascorbic acid was carried out at the surface of glassy carbon electrode (GCE) modified by silver nanoparticles (AgNPs):Polyvinylpyrrolidone (PVP). Nanocomposite was evaluated by fourier transform infrared spectroscopy, zeta potential, and X‐ray diffraction. Also, the surface morphologies of the developed electrode were investigated by scanning electron microscopy, and profilometer. The electrochemical performance of AgNPs/PVP/GCE was studied with cyclic voltammetry and electrochemical impedance spectroscopy measurements. The electrochemical studies demonstrated that the electrode had a large surface. Compared with the bare GCE, PVP/GCE, and AgNPs/GCE, the AgNPs/PVP‐modified GCE showed excellent performance for the electrochemical determination of ascorbic acid. At the optimized conditions of differential pulse voltammetry in pH 6.0 of phosphate buffer solution, the modified electrode allowed the determination of ascorbic acid on a potential of 0.54 V vs. Ag/AgCl. Under optimized conditions, the low detection limit of 0.047 μM and working range of 0.2‐1200 μM were obtained at the AgNPs/PVP/GCE. The AgNPs/PVP/GCE allowed to obtain highest peak current values at low concentrations. Moreover, the fabricated electrode also exhibited good repeatability, reproducibility, and stability. The developed electrode was successfully enforced for the analysis of ascorbic acid in banana, kiwi fruit, mango, and pineapple.
Qualification and design of anchor channels with channel bolts according to the new EN 1992‐4 and ACI 318
Authors: Mahrenholtz Christoph , Sharma Akanshu 
Published: May 2019

AbstractThough anchor channels with channel bolts are used in practice since long time, the codification of their design rules was just recently finalized in Europe with the issuing of the new EN 1992‐4. In the United States, full consolidation of the design rules for anchor channels with channel bolts in ACI 318 is yet to be included. The design requires product‐specific design data that are provided in qualification certificates. Qualification is carried out in Europe and in the United States according to published qualification guidelines. Currently, the qualification guidelines and design rules are not fully harmonized between Europe and the United States, sometimes resulting in significantly different design outcomes. This paper describes the framework of qualification and design, provides a comprehensive compendium of all design rules required for anchor channel‐channel bolt‐systems, and points out the differences between Europe and the United States with regard to qualification and design.
Effect of Lactobacillus paracasei A221‐fermented ginseng on impaired spatial memory in a rat model with cerebral ischemia and β‐amyloid injection
Authors: Nagao Masaki , Yamano Satoshi , Imagawa Naoki , Igami Kentaro , Miyazaki Toshitsugu , Ito Hisatomi , Watanabe Takuya , Kubota Kaori , Katsurabayashi Shutaro , Iwasaki Katsunori 
Published: May 2019

ABSTRACTAimGinseng, a traditional herbal medicine, has been shown to prevent the progression of dementia, but its therapeutic effects vary because ginseng's components must first be activated by intestinal bacteria before being absorbed into the blood. We therefore focused on a fermented ginseng (FG), which contains activated components prepared by Lactobacillus paracasei A221, and compared its effects with those of non‐FG. In this study, we investigated whether FG is effective on spatial memory impairment in rats.MethodsRats with spatial memory impairment were prepared with transient cerebral ischemia and intraventricular injection of β‐amyloid 1‐42 for 7 days (CI + Aβ). Oral FG or non‐FG was given for 7 days after the cerebral ischemia. Spatial memory was evaluated using the Morris water maze (MWM). We observed neuronal neuclei‐positive cells to assess hippocampal neuron loss, and investigated the protein expression of caspase‐3 and cleaved caspase‐3 for neuronal apoptosis, ionized calcium‐binding adapter molecule 1 (Iba‐1) for microglia, and glial fibrillary acidic protein for astrocytes.ResultsFG treatment in the CI + Aβ‐operated rats shortened the extended time to reach the platform in the MWM, whereas non‐FG treatment did not affect the extended time. FG ameliorated loss of hippocampal cornu amonis (CA)1 neurons and the increase in caspase‐3 and Iba‐1 in the CI + Aβ‐operated rats.ConclusionFG improved spatial memory impairment in CI + Aβ‐operated rats. The effect of FG might be attributed to the amelioration of apoptotic neuronal cell death and the inactivation of microglia. FG is a more useful treatment for patients with cognitive dysfunction than non‐FG.
Detection of equid herpesviruses among different Arabian horse populations in Egypt
Authors: Azab Walid , Bedair Sameh , Abdelgawad Azza , Eschke Kathrin , Farag Gemelat K. , Abdel‐Raheim Ali , Greenwood Alex D. , Osterrieder Nikolaus , Ali Ahmed A. H. 
Published: May 2019

AbstractEquid herpesviruses (EHVs) threaten equine health and can cause significant economic losses to the equine industry worldwide. Different equid herpesviruses, EHV‐1, EHV‐2, EHV‐4 and EHV5 are regularly detected among horse populations. In Egypt, monitoring is sporadic but EHV‐1 or EHV‐4 have been reported to circulate in the horse population. However, there is a lack of reports related to infection and health status of horses, likely due to the absence of regular diagnostic procedures. In the current study, the circulation of four infectious equid herpesviruses (EHV‐1, EHV‐2, EHV‐4 and EHV‐5) among different Arabian horse populations and donkeys residing the same farm was monitored. Different samples were collected and DNA was extracted and subjected to quantitative (q)‐PCR to detect the four equid herpesviruses using specific primers and probes. Antibody titres against EHV‐1 and EHV‐4 were tested using virus neutralization test and type‐specific ELISA. The results showed that EHV‐1, EHV‐2, EHV‐4 and EHV‐5 are endemic and can be a continuous threat for horses in the absence of vaccination programs and frequent virus reactivation. There is an urgent need for introduction of active regular surveillance measures to investigate the presence of different equid herpesviruses, and other equine viral pathogens, in various horse populations around Egypt and to establish a standardized cataloguing of equine health status.
Scope of self-interacting thermal WIMPs in a minimal U(1)D extension and its future prospects
Authors: Barman Rahool Kumar , Bhattacherjee Biplob , Chatterjee Arindam , Choudhury Arghya , Gupta Aritra 
Published: May 2019

AbstractIn this work we have considered a minimal extension of Standard Model by a local U(1) gauge group in order to accommodate a stable (fermionic) Dark Matter (DM) candidate. We have focussed on parameter regions where DM possesses adequate self-interaction, owing to the presence of a light scalar mediator (the dark Higgs), alleviating some of the tensions in the small-scale structures. We have studied the scenario in the light of a variety of data, mostly from dark matter direct searches, collider searches and flavor physics experiments, with an attempt to constrain the interactions of the standard model (SM) particles with the ones in the Dark Sector (DS). Assuming a small gauge kinetic mixing parameter, we find that for rather heavy DM the most stringent bound on the mixing angle of the Dark Higgs with the SM Higgs boson comes from dark matter direct detection experiments, while for lighter DM, LHC constraints become more relevant. Note that, due to the presence of very light mediators, the effective operator approach to the direct detection is inapplicable here and these constraints have been re-evaluated for our scenario. In addition, we find that the smallness of the relevant portal couplings, as dictated by data, critically suppress the viability of DM production by the standard “freeze-out” mechanism in such simplified scenarios. In particular, the viable DM masses are$$ \lesssim \mathcal{O}(2) $$≲O2GeV i.e. in the regions where direct detection limits tend to become weak. For heavier DM with large self-interactions, we hence conclude that non-thermal production mechanisms are favored. Lastly, future collider reach of such a simplified scenario has also been studied in detail.
The impact of gasification temperature on the process characteristics of sorption enhanced reforming of biomass
Authors: Fuchs J. , Schmid J. C. , Müller S. , Mauerhofer A. M. , Benedikt F. , Hofbauer H. 
Published: May 2019

AbstractEspecially carbon-intensive industries are interested in a decarbonization of their processes. A technology, which can contribute to a significant reduction of the carbon footprint, is the so-called sorption enhanced reforming process. The sorption enhanced reforming process uses a dual fluidized bed reactor system with limestone as a bed material for the thermochemical conversion of biomass into a valuable nitrogen-free product gas. This product gas can be used for further synthesis processes like methanation. The dependency of the product gas composition on the gasification temperature is already a well-known fact. Nevertheless, detailed investigations and models of the effect on elemental balances (especially carbon) of the process are missing in the literature and are presented in this work. Therefore, previously published data from different pilot plants is summarized and is discussed on a mass balance. Based on this information, investigations on the product gas equilibrium composition are presented and conclusions are drawn: it can be shown that the sorption enhanced reforming process can be divided into two sub-processes, namely “carbonation dominated sorption enhanced reforming” and “water-gas shift dominated sorption enhanced reforming.” The sub-process carbonation dominated SER is characterized by a high deviation from the water-gas shift equilibrium and a nearly constant CO content in the product gas over gasification temperature (< 700 °C). The sub-process water-gas shift dominated SER can be identified by a steep increase of the CO content in the product gas over temperature and nearly equilibrium state of the water-gas shift reaction (700–760 °C).
Universal screening program for lipid disorders in 2-10 years old Lebanese children
Authors: Georges Nicolas , Simon Akiki , Naim Bassil , Georges Nawfal , Georges Abi Fares , Tanios Akiki 
Published: May 2019

Introduction
Dyslipidemia has been recognized as a risk factor for cardiovascular diseases. Studies have showed that the development of atherosclerotic lesions begins in childhood and progresses throughout life. While the prevalence of dyslipidemia in adults has been reported to be 10 times higher in Lebanon compared to Western countries, data on the prevalence of dyslipidemic children in Lebanon is lacking.

Objectives
This study was conducted to assess the benefit of a protocol for universal screening for lipid disorders in Lebanese children aged between two and ten years old.

Materials and methods
A total of four hundred children aged 2–10 years old (51.5% boys) were included in the study. The subjects were recruited from private pediatric clinics after parental consent. Fasting total cholesterol (TC), triglycerides (TG), low density lipoprotein (LDL), high density lipoprotein (HDL) levels were measured and non-HDL cholesterol was calculated. The values were categorized according to 2011 Expert Panel on Integrated Guidelines for Cardiovascular Health and Risk Reduction in Children and Adolescents.

Results
The overall prevalence of high TC (≥200 mg/dL), high non-HDL-C (≥145 mg/dL), high LDL (≥130 mg/dL), high TG (≥100 mg/dL) and low HDL (<40 mg/dL) was respectively 19.5%, 23%, 19%, 31.8% and 20%. The overall frequency of dyslipidemia was 51.7%. In a bivariate analysis, dyslipidemia in children was associated with a BMI ≥95th percentile and parents having TC > 240 mg/dL with a P value respectively of .006 and .0001. Furthermore, high TG was independently associated with a BMI ≥95th percentile (P = .0001). Children with parents having TC > 240 mg/dL was significantly correlated with high TC, high non-HDL-C and high LDL (P = .0001 for all variables). Finally, according to the Pediatric Dyslipidemia Screening Guidelines from the 2011 Expert Panel, 62.3% of dyslipidemic children had at least 1 risk factor that qualified them for screening while 37.7% of them didn't have any risk factor.

Conclusions
It is preferable to review the latest pediatric dyslipidemia screening guidelines by performing a universal screening program since a third of our dyslipidemic Lebanese children will be missed.