bluuebunny/crossref_metadata_2025_split huggingface dataset:
Natural history of infantile‐onset spinal muscular atrophy
Authors: Kolb Stephen J. , Coffey Christopher S. , Yankey Jon W. , Krosschell Kristin , Arnold W. David , Rutkove Seward B. , Swoboda Kathryn J. , Reyna Sandra P. , Sakonju Ai , Darras Basil T. , Shell Richard , Kuntz Nancy , Castro Diana , Parsons Julie , Connolly Anne M. , Chiriboga Claudia A. , McDonald Craig , Burnette W. Bryan , Werner Klaus , Thangarajh Mathula , Shieh Perry B. , Finanger Erika , Cudkowicz Merit E. , McGovern Michelle M. , McNeil D. Elizabeth , Finkel Richard , Iannaccone Susan T. , Kaye Edward , Kingsley Allison , Renusch Samantha R. , McGovern Vicki L. , Wang Xueqian , Zaworski Phillip G. , Prior Thomas W. , Burghes Arthur H.M. , Bartlett Amy , Kissel John T. ,   the NeuroNEXT Clinical Trial Network on behalf of the NN101 SMA Biomarker Investigators
Published: November 2017

ObjectiveInfantile‐onset spinal muscular atrophy (SMA) is the most common genetic cause of infant mortality, typically resulting in death preceding age 2. Clinical trials in this population require an understanding of disease progression and identification of meaningful biomarkers to hasten therapeutic development and predict outcomes.MethodsA longitudinal, multicenter, prospective natural history study enrolled 26 SMA infants and 27 control infants aged <6 months. Recruitment occurred at 14 centers over 21 months within the NINDS‐sponsored NeuroNEXT (National Network for Excellence in Neuroscience Clinical Trials) Network. Infant motor function scales (Test of Infant Motor Performance Screening Items [TIMPSI], The Children's Hospital of Philadelphia Infant Test for Neuromuscular Disorders, and Alberta Infant Motor Score) and putative physiological and molecular biomarkers were assessed preceding age 6 months and at 6, 9, 12, 18, and 24 months with progression, correlations between motor function and biomarkers, and hazard ratios analyzed.ResultsMotor function scores (MFS) and compound muscle action potential (CMAP) decreased rapidly in SMA infants, whereas MFS in all healthy infants rapidly increased. Correlations were identified between TIMPSI and CMAP in SMA infants. TIMPSI at first study visit was associated with risk of combined endpoint of death or permanent invasive ventilation in SMA infants. Post‐hoc analysis of survival to combined endpoint in SMA infants with 2 copies of SMN2 indicated a median age of 8 months at death (95% confidence interval, 6, 17).InterpretationThese data of SMA and control outcome measures delineates meaningful change in clinical trials in infantile‐onset SMA. The power and utility of NeuroNEXT to provide “real‐world,” prospective natural history data sets to accelerate public and private drug development programs for rare disease is demonstrated. Ann Neurol 2017;82:883–891
Dynamic Cross‐Exchange in Halophosphonium Species: Direct Observation of Stereochemical Inversion in the Course of an SN2 Process
Authors: Nikitin Kirill , Jennings Elizabeth V. , Al Sulaimi Sulaiman , Ortin Yannick , Gilheany Declan G. 
Published: November 2017

AbstractThe complex fluxional interconversions between otherwise very similar phosphonium bromides and chlorides R3PX+X− (R=Alk, Ar, X=Cl or Br) were studied by NMR techniques. Their energy barriers are typically ca. 11 kcal mol−1, but rise rapidly as bulky groups are attached to phosphorus, revealing the importance of steric factors. In contrast, electronic effects, as measured by Hammett analysis, are modest (ρ 1.46) but still clearly indicate negative charge flow towards phosphorus in the transition state. Most significantly, detailed analysis of the exchange pathways unequivocally, and for the first time in any such process, shows that nucleophilic attack of the nucleophilic anion on the tetrahedral centre results in inversion of configuration.
Can Coordination‐Driven Supramolecular Self‐Assembly Reactions Be Conducted from Fully Aliphatic Linkers?
Authors: Elsayed Moussa Mehdi , Evariste Sloane , Krämer Barbara , Réau Régis , Scheer Manfred , Lescop Christophe 
Published: November 2017

AbstractThe reaction between a preassembled CuI bimetallic molecular clip with a short intermetallic distance and a series of fully aliphatic cyano‐capped ditopic linkers with increasing lengths was investigated. It is shown that, depending on the length of the ditopic linkers, the rational design of unprecedented supramolecular compact metallacycles containing fully aliphatic walls is possible. The specific preorganized molecular arrangement of the molecular clip used favors stabilizing interlinker London dispersion interactions, which allow, as the length of the linkers increases, the selective formation of discrete compact metallacycles at the expense of 1D coordination polymers. The generalizability of this approach was demonstrated by the reaction of fully aliphatic cyano‐capped linkers with two other types of preassembled CuI bimetallic molecular clips that also had short intermetallic distances.
The Weakly Coordinating Tris(trichlorosilyl)silyl Anion
Authors: Olaru Marian , Hesse Maxie F. , Rychagova Elena , Ketkov Sergey , Mebs Stefan , Beckmann Jens 
Published: November 2017

AbstractClosely following the procedure for the preparation of the base‐stabilized dichlorosilylene complex NHCDipp⋅SiCl2 reported by Roesky, Stalke, and co‐workers (Angew. Chem. Int. Ed. 2009, 48, 5683–5686), a few crystals of the salt [NHCDipp−H⋅⋅⋅Cl⋅⋅⋅H−NHCDipp]Si(SiCl3)3 were isolated, aside from the reported byproduct [NHCDipp−H+⋅⋅⋅Cl−], and characterized by X‐ray crystallography (NHCDipp=N,N‐di(2,6‐diisopropylphenyl)imidazo‐2‐ylidene). They contain the weakly coordinating anion Si(SiCl3)3−, which was also obtained in high yields upon deprotonation of the conjugate Brønsted acid HSi(SiCl3)3 with NHCDipp or PMP (PMP=1,2,2,6,6‐pentamethylpiperidine). The acidity of HSi(SiCl3)3 was estimated by DFT calculations to be substantially higher than those of other H‐silanes. Further DFT studies on the electronic structure of Si(SiCl3)3−, including the electrostatic potential and the electron localizability, confirmed its low basicity and nucleophilicity compared with other silyl anions.
Comparative study of acid yellow 119 adsorption onto activated carbon prepared from lemon wood and ZnO nanoparticles loaded on activated carbon
Authors: Jamshidi Hadis , Ghaedi Mehrorang , Sabzehmeidani Mohammad Mehdi , Bagheri Ahmad Reza 
Published: November 2017

Activated carbon from lemon wood (AC) and ZnO nanoparticles loaded on activated carbon (ZnO‐NP‐AC) were prepared and their efficiency for effective acid yellow 199 (AY 199) removal under various operational conditions was investigated. The dependence of removal efficiency on variables such as AY 199 concentration, amount of adsorbent and contact time was optimized using response surface methodology and Design‐Expert. ZnO nanoparticles and ZnO‐NP‐AC were studied using various techniques such as scanning electron microscopy, X‐ray diffraction and energy‐dispersive X‐ray analysis. The optimum pH was studied using one‐at‐a‐time method to achieve maximum dye removal percentage. Small amounts of the proposed adsorbents (0.025 and 0.025 g) were sufficient for successful removal of AY 199 in short times (4.0 and 4.0 min) with high adsorption capacity (85.51 and 116.29 mg g−1 for AC and ZnO‐NPs‐AC, respectively). Fitting the empirical equilibrium data to several conventional isotherm models at optimum conditions indicated the appropriateness of the Langmuir model with high correlation coefficient (0.999 and 0.978 for AC and ZnO‐NPs‐AC, respectively) for representation and explanation of experimental data. Kinetics evaluation of experiments at various time intervals revealed that adsorption processes can be well predicted and fitted by pseudo‐second‐order and Elovich models. This study revealed that the combination of ZnO nanoparticles and AC following simple loading led to significant improvement in the removal process in short adsorption time which was enhanced by mixing the media via sonication.
A new efficient adsorbent in the preconcentration studies of the Cr(III) and Fe(III) ions
Authors: Karabörk Muharrem , Sami Helan Zeyad , Tümer Mehmet 
Published: November 2017

In this study, the imine‐graphene hybrid material (HM) was used as an adsorbent for removal of Fe(III) and Cr(III) metal ions from the drinking waters. The adsorbent material (HM) was prepared at three steps. At the first step, the graphite was oxidized by Hummer's method for preparation of graphene oxide (GO), in the second step, the silanization derivative (GO‐APTES) was obtained from the reaction of the 3‐(trimethoxysilyl) propylamine and GO. In the final step, the hybrid material (HM) was synthesized from the reaction of the 3,5‐diiodosalicylaldehyde and GO‐APTES. The chemical structures of three materials GO, GO‐APTES and HB were characterized by using the FT‐IR, XRD, EDX, SEM, TEM and UV‐vis methods. Thermal properties of the materials GO, GO‐APTES and HB were investigated by TGA/DTA methods in the 25–1000°C temperature range. Adsorption and desorption studies of the hybrid material toward Fe(III) and Cr(III) metal ions were investigated using the Batch method. The effect of pH, contact time, temperature, concentration on the adsorption properties of the hybrid material were investigated by ICP‐OES. The Fe(III) and Cr(III) ions have the maximum adsorption at the pH 7. The adsorption capacity decreases with the increase in pH values because above pH 9 the adsorption decreases due to the precipitation of metal hydroxide.
Enhanced adsorption performance of a novel Fe‐Mn‐Zr metal oxide nanocomposite adsorbent for anionic dyes from binary dye mix: Response surface optimization and neural network modeling
Authors: Singh Nahakpam Hitler , Kezo Kethonulu , Debnath Animesh , Saha Biswajit 
Published: November 2017

A novel adsorbent, Fe‐Mn‐Zr metal oxide nanocomposite was synthesized and investigated for removal of methyl orange (MO) and eosin yellow (EY) dyes from binary dye solution. The magnetic nanocomposite has shown surface area of 143.01 m2/g and saturation magnetization of 15.29 emu/g. Optimization was carried out via response surface methodology (RSM) for optimizing process variables, and optimum dye removal of 99.26% and 99.55% were obtained for MO and EY dye, respectively with contact time 62 min, adsorbent dose 0.45 g/l, initial MO concentration 11.0 mg/l, and initial EY concentration 25.0 mg/l. A feed forward back propagation neural network model has shown better prediction ability than RSM model for predicting MO and EY dye removal (%). Adsorption process strictly follows Langmuir isotherm model, and enhanced adsorption capacities of 196.07 and 175.43 mg/g were observed for MO and EY dye, respectively due to synergistic effects of physicochemical properties of trimetal oxides. Surface adsorption and pore diffusions are the mechanisms involved in the adsorption as revealed from kinetic studies.
Synthesis, characterization and immobilization of a novel mononuclear vanadium (V) complex on modified magnetic nanoparticles as catalyst for epoxidation of allyl alcohols
Authors: Azarkamanzad Zahra , Farzaneh Faezeh , Maghami Mahboobeh , Simpson Jim , Azarkish Mohammad 
Published: November 2017

The 2,4,6‐tris(2‐pyridyl)‐1,3,5‐triazine (tptz) undergoes hydrolysis in the presence of VO(SO4) in an alkaline solution, affording mainly the bis(2‐pyridyl carbonyl)amid) VO2 complex, designated as [VO2(bpca)]. Single‐crystal X‐ray crystallography revealed that the coordination of V in complex is a distorted square‐pyramid coordinated with three nitrogen of bis(2‐pyridyl carbonyl)amid) ligand and two binding oxygen atoms. The prepared complex which successfully supported on modified Fe3O4 nanoparticles using tetraethylorthosilicate (TEOS) and (3‐aminopropyl)trimethoxysilane(APTMS)was designated as Fe3O4@SiO2@APTMS@[VO2(bpca)] complex (nanocatalyst). The complex and nanocatalyst were characterized by means of FT‐IR, XRD, VSM, SEM and TEM. The catalytic activity of [VO2(bpca)] complex and Fe3O4@SiO2@APTMS@complex as catalysts 1 and 2 were evaluated by the epoxidation of geraniol, 3‐methyl‐2‐buten‐1‐ol, trans‐2‐hexen‐1‐ol and 1‐octen‐3‐ol with 70–98% conversions and 95–100% selectivities. Based on the obtained results, the heterogeneity and reusability of the catalyst seems promising. In addition, the in vitro antibacterial activity of [VO2 (bpca)] complex have also been evaluated and compared to the activities of other vanadium complexes, tptz ligand and two standard antibacterial drugs, Nalidixic acid and Vancomycin.
A gleam of hope for the critically endangered Isoëtes malinverniana: Use of small‐scale translocations to guide conservation planning
Authors: Abeli Thomas , Cauzzi Paolo , Rossi Graziano , Pistoja Fausto , Mucciarelli Marco 
Published: November 2017

Abstract

Results of the first documented reintroduction of the endangered endemic quillwort Isoëtes malinverniana are presented 1 year after transplanting. This represents the most complete report of a quillwort translocation globally.
A new population of I. malinverniana was established in a protected area in Lombardy (northern Italy) after several years of investigation of the ecology, biology and genetics of this species. The selected site was restored before the trial release in March 2016 of 20 individuals of the target species.
Although modelling for the selection of suitable release sites for the target species indicated that the selected site was not suitable for the species, I. malinverniana exhibited a survival of 60% 1 year after reintroduction. This trial indicates that with very rare species, experimental trialling of a few individuals can test the feasibility of translocation at a larger scale. Although the model was constructed using a wide variety of ecological and phenological parameters, it was unreliable because of intrinsically low statistical power, which is a limitation of modelling associated with very rare species.
Although mature spores were dispersed in autumn 2016, sporelings have not yet been observed. Ultimately, reintroduction of I. malinverniana will rely on the evidence of self‐recruitment; however, this translocation effort promoted understanding of ecological tolerance and facilitated focused conservation management. For instance, a protocol for in vitro reproduction of the species was successfully developed, resulting in long‐term survival of ex situ collections that exist in two botanical gardens in Pavia and Turin.
Considering that many isoëtid species are threatened worldwide, the techniques applied here may have broad applicability to other endangered species.
Lentiviral Vectors and Adeno‐Associated Virus Vectors: Useful Tools for Gene Transfer in Pain Research
Authors: Zheng Chen‐Xi , Wang Sheng‐Ming , Bai Yun‐Hu , Luo Ting‐Ting , Wang Jia‐Qi , Dai Chun‐Qiu , Guo Bao‐Lin , Luo Shi‐Cheng , Wang Dong‐Hui , Yang Yan‐Ling , Wang Ya‐Yun 
Published: November 2017

ABSTRACTPain, especially chronic pain, has always been a heated point in both basic and clinical researches since it puts heavy burdens on both individuals and the whole society. A better understanding of the role of biological molecules and various ionic channels involved in pain can shed light on the mechanism under pain and advocate the development of pain management. Using viral vectors to transfer specific genes at targeted sites is a promising method for both research and clinical applications. Lentiviral vectors and adeno‐associated virus (AAV) vectors which allow stable and long‐term expression of transgene in non‐dividing cells are widely applied in pain research. In this review, we thoroughly outline the structure, category, advantages and disadvantages and the delivery methods of lentiviral and AAV vectors. The methods through which lentiviral and AAV vectors are delivered to targeted sites are closely related with the sites, level and period of transgene expression. Focus is placed on the various delivery methods applied to deliver vectors to spinal cord and dorsal root ganglion both of which play important roles in primary nociception. Our goal is to provide insight into the features of these two viral vectors and which administration approach can be chosen for different pain researches. Anat Rec, 301:825–836, 2018. © 2017 The Authors. The Anatomical Record published by Wiley Periodicals, Inc. on behalf of American Association of Anatomists.
Determination of telbivudine in the plasma of chronic hepatitis B patients in long‐term treatment by high‐performance liquid chromatographic–tandem mass spectrometry
Authors: Chen Bicui , Chen Li , Cheng Cai , Zhong Mingkang , Shi Xiaojin , Zhang Jiming , Wang Bin 
Published: November 2017

AbstractCreatine kinase elevation is commonly reported in telbivudine‐treated patients. However, little is known about the relationship between this adverse drug reaction and plasma concentration. In this study, a sensitive, rapid and safe quantitative bioanalytical method has been established by using LC‐MS/MS for the determination of telbivudine in a clinical study of chronic hepatitis B patients. The assay was linear in a dynamic 10–10,000 ng/mL range (r2> 0.999) and total analysis time was 6 min in this method. The validated method was applied to quantitatively determine plasma concentration in chronic hepatitis B patients during long‐term telbivudine treatment. The results revealed that telbivudine concentration in the creatine kinase‐elevated group (707.92–2788.78 ng/mL) was significantly higher than those with normal creatine kinase (412.63–1108.32 ng/mL). This method was adapted for therapeutic drug monitoring.
Metabolic study of paeoniflorin and total paeony glucosides from Paeoniae Radix Rubra in rats by high‐performance liquid chromatography coupled with sequential mass spectrometry
Authors: Zhu Lijun , Sun Shanshan , Hu Yanxi , Liu Yufeng 
Published: November 2017

AbstractA clear understanding of the metabolism of Traditional Chinese Medicines is extremely important in their rational clinical application and effective material foundation research. A novel and reliable strategy was performed to find more metabolites of paeoniflorin, determine the metabolites of total paeony glucosides (TPG) by means of determining those metabolites of paeoniflorin, and compare the metabolism differences between paeoniflorin and TPG by intragastric administration. This strategy was characterized as follows. Firstly, the rats were divided into two groups (the paeoniflorin group and the TPG group) to find differences in metabolism mechanisms between paeoniflorin and TPG. Secondly, UPLC‐FT‐ICR MS and UPLC‐Q‐TOF MS2 were applied to obtain accurate molecular weight and structural information, respectively. Thirdly, the metabolites were tentatively identified by a combination of data‐processing methods including mass defect screening, characteristic neutral loss screening and product ion screening. Finally, a comparative study was employed in the metabolism of paeoniflorin and TPG. Based on the strategy, 18 metabolites of paeoniflorin (including four new compounds) and 11 metabolites of TPG (including two new compounds) were identified. In all of the identified metabolites of paeoniflorin, two metabolites in rat plasma, four metabolites in rat urine and six metabolites in rat feces were found for the first time after paeoniflorin administration. The results indicate that hydrolyzation of the ester bond and glucosidic band and conjugation with glucuronide were the major metabolic pathways of paeoniflorin. The metabolites of paeoniflorin and TPG in rat plasma, urine and feces have been detected for the first time after intragastric administration. The results may contribute to a better understanding of the metabolism mechanism and provide a scientific rationale for researching the material basis of paeoniflorin and TPG in vivo.
Determination of cefoperazone and sulbactam in serum by HPLC‐MS/MS: An adapted method for therapeutic drug monitoring in children
Authors: Wu Xiu‐Jun , Huang Xin , Shi Hai‐Yan , Chen Xing‐Kai , Dong Qian , Hao Guo‐Xiang , Li Yan , Zheng Yi , Zhao Wei 
Published: November 2017

AbstractA rapid, accurate and specific high‐performance liquid chromatography–tandem mass spectrometry method has been validated for the simultaneous determination of cefoperazone and sulbactam in a small volume sample for children. A Shim‐pack XR‐ODS C18 column with gradient elution of water (0.1% formic acid) and acetonitrile (0.1% formic acid) solution was used for separation at a flow rate of 0.3 mL/min. The calibration curves of two analytes in serum showed excellent linearity over the concentration ranges of 0.03–10 μg/mL for cefoperazone, and 0.01–3 μg/mL for sulbactam, respectively. This method involves simple sample preparation steps and was validated according to standard US Food and Drug Administration and European Medicines Agency guidelines in terms of selectivity, linearity, detection limits, matrix effects, accuracy, precision, recovery and stability. This assay can be easily implemented in clinical practice to determine concentrations of cefoperazone and sulbactam in children.
Effects of Tao‐Hong‐Si‐Wu decoction on acute blood stasis in rats based on a LC‐Q/TOF‐MS metabolomics and network approach
Authors: Ma Qi , Li Peng‐Ling , Hua Yong‐Li , Ji Peng , Yao Wan‐Ling , Zhang Xiao‐Song , Zhong Li‐Jia , Wei Yan‐Ming 
Published: November 2017

AbstractA novel approach using metabolomics coupled with a metabolic network was used to investigate the effects of Tao‐Hong‐Si‐Wu decoction (THSWD) on the rat model of acute blood stasis syndrome. Acute blood stasis syndrome was induced by placing the rats in ice‐cold water following two injections with epinephrine. The hemorheological indicators [whole blood viscosity (WBV) and plasma viscosity (PV)] and the blood coagulation indicators [thrombin time (TT), prothrombin time (PT), activated partial thromboplastin time (APTT) and fibrinogen (FIB)] were detected. The nonparametric univariate method and multivariate statistical analysis were performed for determining the potential biomarkers. A correlation map was structured between biochemical indicators and hub metabolites to explain the effects mechanism of THSWD. After the administration of THSWD, the levels of WBV, PV, TT, APTT and FIB returned to levels observed in the control group. According to metabolomics coupled with metabolic network analysis, the intervention of THSWD in rats with acute blood stasis syndrome induced substantial and characteristic changes in their metabolic profiles. Fifteen metabolites were screened, which mainly involved 10 pathways and five hub metabolites, namely, l‐glutamate, l‐phenylalanine, N‐acylsphingosine, arachidonic acid and phosphatidate. The biochemical indicators and hub metabolites could be adjusted to close to normal levels by THSWD. Therefore, combining metabolomics and metabolic network helped to evaluate the effects of THSWD on acute blood stasis.