bluuebunny/crossref_metadata_2025_split huggingface dataset:
Characterization of the surface properties of MgO using paper spray mass spectrometry
Authors: Zheng Yajun , Zhang Xiaoling , Bai Zongquan , Zhang Zhiping 
Published: August 2016

RationaleSignificant advances have been made in the preparation of different morphologies of magnesium oxide (MgO), but the relationship between MgO morphology and its interactions with therapeutic drugs is rarely studied. Herein, we investigated the interactions between different morphologies of MgO and therapeutic drugs using paper spray mass spectrometry.MethodsDifferent morphologies of MgO including trapezoidal, needle‐like, flower‐like and nest‐like structures were prepared through a facile precipitation method. The as‐obtained MgO particles were then coated onto the surface of filter paper via vacuum filtration strategy. The coated papers with different morphologies of MgO were used as the substrates for paper spray mass spectrometry to explore the interactions between different MgO and therapeutic drugs.ResultsThrough investigating the interactions between different morphologies of MgO coated papers and therapeutic drugs, it demonstrated that, in contrast to the trapezoidal, needle‐like and nest‐like MgO coated papers, different drugs in dried blood spots (DBS) were more favourably eluted off from the paper coated with flower‐like MgO due to its weaker surface basicity. Also, the signal intensities of different drugs during paper spray were highly dependent on their elution behaviours.ConclusionsPaper spray mass spectrometry (MS) provides an avenue to elaborate the surface properties of MgO with different structures. The surface basicity of MgO played a crucial role in determining the elution behaviours of therapeutic drugs in DBS, and a more favourable elution behaviour tended to result in a higher MS signal. Copyright © 2016 John Wiley & Sons, Ltd.
Application of flowerlike MgO for highly sensitive determination of lead via matrix‐assisted laser desorption/ionization mass spectrometry
Authors: Hou Jian , Chen Suming , Cao Changyan , Liu Huihui , Xiong Caiqiao , Zhang Ning , He Qing , Song Weiguo , Nie Zongxiu 
Published: August 2016

RationaleMatrix‐assisted laser desorption/ionization mass spectrometry (MALDI MS) is a high‐throughput method to achieve fast and accurate identification of lead (Pb) exposure, but is seldom used because of low ionization efficiency and insufficient sensitivity. Nanomaterials applied in MS are a promising technique to overcome the obstacles of MALDI.MethodsFlowerlike MgO nanostructures are applied for highly sensitive lead profiling in real samples. They can be used in two ways: (a) MgO is mixed with N‐naphthylethylenediamine dihydrochloride (NEDC) as a novel matrix MgO/NEDC; (b) MgO is applied as an absorbent to enrich Pb ions in very dilute solution.ResultsThe signal intensities of lead by MgO/NEDC were ten times higher than the NEDC matrix. It also shows superior anti‐interference ability when analyzing 10 μmol/L Pb ions in the presence of organic substances or interfering metal ions. By applying MgO as adsorbent, the LOD of lead before enrichment is 1 nmol/L. Blood lead test can be achieved using this enrichment process. Besides, MgO can play the role of internal standard to achieve quantitative analysis.ConclusionsFlowerlike MgO nanostructures were applied for highly sensitive lead profiling in real samples. The method is helpful to prevent Pb contamination in a wide range. Further, the combination of MgO with MALDI MS could inspire more nanomaterials being applied in highly sensitive profiling of pollutants. Copyright © 2016 John Wiley & Sons, Ltd.
Study of G‐quadruplexes in the STAT3 gene using electrospray ionization mass spectrometry
Authors: Lin Sen , Long Haitao , Zhou Jiang , Yuan Gu 
Published: August 2016

RationaleAs a key signal transducer and transcription activator, STAT3 plays a very important role in many cell processes. We found that there were many G‐rich sequences existing in the STAT3 gene including its promoter, intron, exon and 3′‐flanking regions. These G‐rich tracts can form G‐quadruplexes under near physiological conditions. In this research, we systemically studied the G‐quadruplexes in the STAT3 gene at a whole gene scale for the first time.MethodsIn this research, the formation of G‐quadruplexes in the STAT3 gene was probed by electrospray ionization mass spectrometry (ESI‐MS) and circular dichroism (CD). Their structures were constructed and refined by a molecular modeling method. We also used ESI‐MS to study the recognition of the G‐quadruplexes in the promoter of the STAT3 gene by flexible molecules which do not have a planar core like the other common quadruplex ligands.ResultsThe results based on ESI‐MS suggested that the G‐quadruplexes in the promoter of the STAT3 gene formed and were further recognized by some small molecules.ConclusionOur research proved that the G‐rich sequences in the STAT3 gene could form G‐quadruplexes under near physiological conditions. This provides a promising target to study the regulation of cell signal transduction in vivo and drug design that aims to target STAT3 G‐quadruplexes. Copyright © 2016 John Wiley & Sons, Ltd.
Complex solution chemistry behind the simple “one‐pot” synthesis of vanadium‐substituted polyoxometalates unraveled by electrospray ionization mass spectrometry
Authors: Cao Jie , Liu Chang , Jia Qiao‐Di 
Published: August 2016

RationaleThe “one‐pot” method is a deceptively simple and straightforward method for synthesis of polyoxometalates (POMs). However, the complex solution chemistry behind the simple method is neither clear nor elucidated thoroughly by a suitable method. In general, POM chemists are more focused on what final products are obtained by deliberately choosing the ingredients used in the “one‐pot” process with a limited knowledge of what is actually happening in the reaction solution.MethodsTime‐resolved electrospray ionization mass spectrometry (ESI‐MS) was developed to monitor the dynamic solution speciation changes occurred in the reaction mixtures ({SiW12‐x} (x = 1–3) + NaVO3) against reaction time. The reactions were conducted as normal, with 2 μL aliquots removed at specific time intervals during the reaction. The aliquots were immediately diluted with 1 mL of HPLC grade water and then analyzed by ESI‐MS. As a control, solutions of each {SiW12‐x} were analyzed alongside the vanadium reactions to corroborate which fragments were due to the lacunary precursors and which were due to the reactions with sodium metavanadate.ResultsIt was discovered that the reaction solution speciation was sensitively changed with the reaction conditions such as concentration, temperature, and reaction time. Spontaneous transformations from mono‐ into di‐ and eventually tri‐substituted products ({SiW11V} → {SiW10V2} → {SiW9V3}) were observed for the reactions of {SiW11} + VO3− and {SiW10} + VO3−, respectively. Higher concentration and temperature definitely accelerate the transformation reaction rates whereas different molar ratios of reactants have minimal effects on changing the solution speciation in the cases studied.ConclusionsTime‐resolved ESI‐MS is effectively and successfully used in the monitoring of the dynamic speciation changes in the reaction mixtures consisting of lacunary POMs with transition salts. This study will provide guidance for the oriented design and controlled synthesis of POMs with novel structures. Copyright © 2016 John Wiley & Sons, Ltd.
Multi‐channel cell co‐culture for drug development based on glass microfluidic chip‐mass spectrometry coupled platform
Authors: Wu Jing , Jie Mingsha , Dong Xueling , Qi Hongbin , Lin Jin‐Ming 
Published: August 2016

RationaleCell‐based drug assay plays an essential role in drug development. By coupling a microfluidic chip with mass spectrometry (MS), we developed a multifunctional platform. Cell co‐culture, cell apoptosis assay, fluorescence and MS detection of intracellular drug absorption could be simultaneously conducted on this platform.MethodsThree micro‐channels were fabricated through photolithography technology to conduct the cell co‐culture. Cell apoptosis after drug treatment was assayed by fluorescent probes (Hoechst 33342). Intracellular Dox absorption was analyzed by confocal fluorescent microscopy. With a high voltage (~ 4.5 kV) applied onto the microfluidic chip, the ionization spray was successfully generated by dropping isopropanol onto it. By coupling with a Shimadzu LCMS‐2010 A mass spectrometer, intracellular CPA absorption was detected on the microfluidic chip.ResultsThe microfluidic chip‐MS coupled platform showed high biocompatibility. Distinction of cell apoptosis between co‐cultured and mono‐cultured cells was detected. The results of intracellular drug absorption well explained the different cell apoptosis rate.ConclusionsCell‐based drug assay was facilely and successfully conducted on the microfluidic chip‐MS coupled platform. This technology we have devised could promote MS application in the field of drug development. Copyright © 2016 John Wiley & Sons, Ltd.
Identification of hydroxylation at aromatic amino acid residues in yeast kinase using mass spectrometry with affinity enrichment
Authors: Zheng Shuzhen , Bai Xue , Tian Shanshan , Wang Guojuan , Zhai Guijin , Guo Zhenchang , Bi Wenjing , Shen Lijin , Zhang Kai 
Published: August 2016

RationaleProtein kinases represent the key elements in phosphorylation‐based signal transmission. Recent studies suggest that hydroxylation may mediate activities of protein kinases. This paper aims to examine the hydroxylation in protein kinases for improving our understanding of the protein modification.MethodsWe combined affinity‐based protein purification with MS analysis for identification of novel hydroxylation at aromatic amino acid residues in yeast kinases.ResultsWe identified 17 hydroxylation at aromatic amino acid residues (10 at Phe, 1 at Tyr and 6 at Trp) using MS analysis. We further characterized the localization and studied the potential significance of these modifications.ConclusionsThis is a new report on the identification of hydroxylation at aromatic amino acid residues in yeast kinases. This study expands the catalog of hydroxylation in kinases and suggests the potential function of hydroxylation. Copyright © 2016 John Wiley & Sons, Ltd.
Rapid analysis and identification of meat species by laser‐ablation electrospray mass spectrometry (LAESI‐MS)
Authors: Zhou Wenzhao , Xia Lei , Huang Chaoqun , Yang Jingwei , Shen Chengyin , Jiang Haihe , Chu Yannan 
Published: August 2016

RationaleLaser‐ablation electrospray ionization mass spectrometry (LAESI‐MS) was applied to analyze fresh meat species without sample pretreatment. The study demonstrates that the LAESI‐MS technique is a promising, rapid and accurate method for meat identification using a protocol combining principal component analysis (PCA) and partial least squares discriminant analysis (PLS‐DA).MethodsA focused IR‐laser was used for meat sample ablation at a wavelength of 2940 nm. The ablated particulates were carried through a transfer PTFE tube using air as carrier gas, delivered to the electrospray plume and ionized. A TOF‐MS was used to detect the ion signal. The raw mass spectra were analyzed using the PCA and PLS‐DA protocol.ResultsFive fresh meat samples, chicken, duck, pork, beef and mutton, were identified by the developed LAESI‐MS technique using the protocol combining PCA and PLS‐DA. The discrimination accuracy of all meat species is 100%, and the score plot also shows good identifying ability.ConclusionsFive fresh meat samples were analyzed using the LAESI‐MS technique. Each set of raw mass data was collected within 30 s and analyzed by the PCA and PLS‐DA protocol. Eighteen, 19, 18, 17, and 15 markers for chicken, duck, pork, beef, and mutton, respectively, have been selected successfully for meat identification. The results demonstrate that LAESI‐MS is a new reliable and rapid method for meat identification. Copyright © 2016 John Wiley & Sons, Ltd.
Morphometric measurement of the cervical spine for minimally invasive pedicle screw fixation using reverse engineering and three‐dimensional reconstruction
Authors: Zhou Zi‐Jia , Wen Chao‐Lun , Sun Qin‐Min , Wang Ai‐Ping , Yan Zheng‐Guang , Liu Fang , Chen Xi , Cao Qi , Zhou Xiao‐Bing , Tan Jian‐Guo , Li Yan‐Bing 
Published: August 2016

AbstractBackgroundPercutaneous cervical pedicle screw fixation has been proven to be an effective method of cervical screw instrumentation, which has the advantages of less invasiveness and low blood loss. Emerging evidence has indicated that the cervical spinous process plays an important role in percutaneous spine surgery. However, there is a limited amount of information on the fundamental research of pedicle and its associated imaging parameter measurement. The purpose of this study was to measure the anatomic data of the pedicle screw channel (PSC) using reverse engineering and three‐dimensional reconstruction, and also to discuss the three‐dimensional relationship between the cervical spinous process and the pedicle screw channel.MethodsTwenty adult subjects (10 males, 10 females, age range 19–46 years) were studied using the method of three‐dimensional CT reconstruction and reverse engineering. The centrum was divided into 10 equal parts from front to back. The bisectors were defined as borderline depths of the centrum, from front to back, 100%, 90%, 80%, 70%, 60%, 50%, 40%, 30%, 20%, 10%, 0% of borderline depths were presented. Then, a 3D coordinate system was constructed to measure all the data, including the radius of the inscribed circle, the length of the PSC, the insertion angle, the distances from entry point to cervical spinous process and skin depth. All the indexes were measured from 70% to 90% borderline depth.ResultsThe radius of the inscribed circles from C3 to C7 at 90% borderline depth were 2.94 ± 0.55 mm, 3.04 ± 0.40 mm, 3.15 ± 0.36 mm, 3.28 ± 0.47 mm, 3.89 ± 0.54 mm, respectively. The lengths of the PSC were between 25 and 32 mm. The insertion angles for 70% to 90% borderline depth were 28.33°, 34.28°, 37.92°, respectively. The relationship between the PSC and spinous process was measured as the distance from the entry point to the end of the spinous process, which were, respectively, 26.91 mm, 28.18 mm, 30.03 mm, 35.67 mm, 41.99 mm from C3 to C7.The distance from the skin to the entry point of C3‐7 increased gradually.ConclusionsThe measurements of this study could provide detailed information for percutaneous cervical screw fixation. The data of the relationship between the cervical spinous process and the pedicle screw channel present valuable technical information for the design, optimization and clinical application of the aiming device for percutaneous cervical pedicle screw fixation. Copyright © 2016 John Wiley & Sons, Ltd.
A virtual‐reality simulator and force sensation combined catheter operation training system and its preliminary evaluation
Authors: Wang Yu , Guo Shuxiang , Tamiya Takashi , Hirata Hideyuki , Ishihara Hidenori , Yin Xuanchun 
Published: August 2016

AbstractBackgroundEndovascular surgery benefits patients because of its superior short convalescence and lack of damage to healthy tissue. However, such advantages require the operator to be equipped with dexterous skills for catheter manipulation without resulting in collateral damage. To achieve this goal, a training system is in high demand.MethodsA training system integrating a VR simulator and a haptic device has been developed within this context. The VR simulator is capable of providing visual cues which assist the novice for safe catheterization. In addition, the haptic device cooperates with VR simulator to apply sensations at the same time. The training system was tested by non‐medical subjects over a five days training session.ResultsThe performance was evaluated in terms of safety criteria and task completion time. The results demonstrate that operation safety is improved by 15.94% and task completion time is cut by 18.80 s maximum. Moreover, according to subjects′ reflections, they are more confident in operation.ConclusionsThe proposed training system constructs a comprehensive training environment that combines visualization and force sensation. Copyright © 2016 John Wiley & Sons, Ltd.
Piperic Acid Amide of β,β‐disubstituted‐β‐Amino Acid, 2‐(4‐Amino‐1‐Benzylpiperidin‐4‐yl)Acid [β3, 3‐Pip(Bzl)] as Cytotoxic and Apoptosis Inducing Agent
Authors: Wani Naiem Ahmad , Rasool Reyaz ur , Farooq Saleem , Shankar Sudha , Amin Hina , Nayak Debasis , Koul Surrinder , Goswami Anindya , Rai Rajkishor 
Published: August 2016

AbstractPiperic acid (PA) and 4‐ethylpiperic (EPA) amides with non‐protein amino acids were synthesized and bioevulated by using MTT [3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide] assay against a panel of three cancer cell lines i. e. human prostate cancer (PC‐3), pancreatic cancer (Panc‐1) colorectal carcinoma (HCT‐116) and a normal prostate cell line BPH‐1. Among all the tested compounds, C3 exhibited promising cytotoxicity against pancreatic cancer (Panc‐1) cell line with IC50 of 7.0 μM and it showed very mild cytotoxic effect on BPH‐1 cells. In addition, the cell growth inhibition and apoptopic induction by C3 was investigated in pancreatic cancer cells by using western‐blot analysis, of PARP‐1 and caspase‐3 cleavage along with DAPI staining and caspase glow assay. The compound arrested the Panc‐1 cells in G2 phase of cell cycle. The mechanistic investigation revealed that C3 blocks the p‐38‐MAPK/ERK1/2, a strong prosurvival pathway. These results demonstrate that compound C3 has a potential antiproliferative and apoptosis inducing effects in Panc‐1 cells.
Fabrication of CuS@Ni3S4‐ polyacrylonitrile textile fabric with enhanced reusability for the treatment of dyes wastewater
Authors: Pan Wei , Huang Yuanhui , Cui Shizhong , Chen Weihua , Mi Liwei 
Published: August 2016

AbstractA novel functional polyacrylonitrile(PAN) fabric coated pineapple‐like CuS@Ni3S4 heterojunctions were successfully fabricated via a simple chemical bath deposition and solvothermal pathway. Through field‐emission scanning electron microscopy (FE‐SEM) and X‐ray diffraction (XRD), the obtained CuS@Ni3S4 composites were characterized. The as‐prepared CuS@Ni3S4 were composed of numerous ultrthin nanosheets interconnect with each other to form pineapple‐like structure. According to the photocatalytic measurements, it was observed that the obtained PAN@CuS@Ni3S4 composites exhibit significantly enhanced photocatalytic activity for the degradation of methylene blue (MB) compared to the primary PAN@CuS under UV light illumination. Moreover, CuS@Ni3S4 supported on the flexible PAN fabric exhibits good reusability, indicating that this sort of materials have a high potential application in the photodegradation of dyes in wastewater treatment.
Honey‐Based P, N and Si Tri‐Doped Graphitic Carbon Electrocatalysts for Oxygen Reduction Reaction in Alkaline Conditions
Authors: Ramasahayam Sunil Kumar , Viswanathan Tito 
Published: August 2016

AbstractA serious quest exists to develop sustainable electrocatalysts for facilitating O2 reduction reaction (ORR) due to the serious shortcomings of precious metal/metal oxide based electrocatalysts. In this study, we report novel honey based N, P and Si tri‐doped electrocatalysts developed by a robust, one‐step microwave assisted method. The method is unique, simple, inexpensive, high yielding and environment friendly. Ammonium polyphosphate, a good microwave absorber was utilized as the N and P source and silicone fluid was utilized as the Si source. Three different electrocatalysts were prepared, namely, PNSiDC‐1, PNSiDC‐2 and PNSiDC‐3. BET (Brunauer‐Emmett‐Teller) surface area analysis revealed high surface areas of 421 m2 g−1, 425 m2 g−1 and 524 m2 g−1 for PNSiDC‐1, PNSiDC‐2 and PNSiDC‐3 respectively with pore volumes above 0.2 cm3 g−1. XPS analysis confirmed the presence of N, P, O and Si dopants in a predominant C matrix in all PNSiDCs. The ORR performance of the electrocatalysts improved towards a complete 4 electron process from PNSiDC‐1 to −3 as the dopant concentrations, surface area and porosity increased. RRDE (Rotating Ring Disk Electrode) studies also suggest a 4 electron ORR as there is no evidence of significant ring current. Electrochemical stability studies performed with PNSiDC‐3 indicate the durability of the developed electrocatalysts as there is no significant loss of ORR activity over 2000 continuous cycles.
Synthesis, Structures and Conformational Studies of 1,2‐Dimethyl[2.10]metacyclophan‐1‐enes
Authors: Akther Thamina , Islam Md Monarul , Rahman Shofiur , Georghiou Paris E. , Matsumoto Taisuke , Tanaka Junji , Thuéry Pierre , Redshaw Carl , Yamato Takehiko 
Published: August 2016

AbstractA series of 1,2‐dimethyl[2.10]metacyclophan‐1‐enes (MCP‐1‐enes) containing different substituent groups has been synthesized to illustrate their conformational behavior. 4,22‐dimethoxy‐1,2‐dimethyl[2.10]MCP‐1‐ene 3 was synthesized by a Grignard coupling reaction, Friedel‐Crafts acylation reactions and McMurry coupling reaction from 1,10‐dibromodecane. The formation of 4,22‐dihydroxy‐1,2‐dimethyl[2.10]MCP‐1‐ene 4 was carried out by demethylation of compound 3 with boron tribromide at room temperature. The syn type conformation of 4 was characterized by X‐ray diffraction and was found to form both intramolecular and intermolecular hydrogen bonds between the two hydroxyl groups. From this reaction an interesting compound [10]tetrahydrobenzofuranophane 5 was afforded on prolonging the reaction time. 5,21‐diformyl‐4,22‐dihydroxy‐1,2‐dimethyl[2.10]MCP‐1‐ene 6 has been prepared from 4,22‐dihydroxy‐1,2‐dimethyl[2.10]MCP‐1‐ene 4 by using the Duff method in the presence of hexamethylenetetramine. Structural analysis by 1H NMR spectroscopy and X‐ray diffraction confirmed that both the solution and the crystalline state of compound 6 adopts an anti‐conformation which forms an intramolecular hydrogen bond between the formyl group and the hydroxyl group, which is an interesting finding for long carbon chain MCP compounds.
Discovery of Unprecedented Ion–exchange Behavior of Nanometric Scheelite Prepared from Single‐Source Precursors
Authors: Perkins Cory K. , Apblett Allen W. 
Published: August 2016

AbstractWater‐soluble precursors for nanometric calcium tungstate (CaWO4) were prepared from calcium 2‐hydroxycarboxylate salts. The precursors decompose as low as 425 °C to yield nanocrystalline scheelite. Supported CaWO4 in a convenient form for water treatment processes was prepared by impregnation of high surface area catalyst support pellets with an aqueous solution of a single‐source precursor followed by drying and calcining. Both the powder and supported nanocrystalline forms of CaWO4 underwent ion‐exchange reaction with aqueous lead ions whereby Ca2+ was released and Pb2+ was adsorbed to produce crystalline stolzite (PbWO4). Electron microscopy demonstrated that little morphological change of the particles occurred upon reaction with excess Pb2+. The process appears to occur via an ion‐exchange route. The nonlinear pseudo first‐order kinetic model gave the best fit for both the powder and supported forms of CaWO4, allowing the kinetic results from the two materials to be directly compared to each other. Supporting of CaWO4 improves the kinetics at higher CaWO4:Pb2+ ratios while at lower ratios diffusion of the Pb2+ ions into the porous pellets likely becomes the controlling factor and the powder form uptakes Pb2+ faster. The molar capacity of the material for Pb2+ uptake improved from 70 % to 100 % upon supporting the CaWO4. The novel ion‐exchange materials were demonstrated to be useful for the purification of industrial wastewaters and juice.