bluuebunny/crossref_metadata_2025_split huggingface dataset:
Vancomycin therapeutic drug monitoring and population pharmacokinetic models in special patient subpopulations
Authors: Monteiro Joaquim F. , Hahn Siomara R. , Gonçalves Jorge , Fresco Paula 
Published: August 2018

AbstractVancomycin is a fundamental antibiotic in the management of severe Gram‐positive infections. Inappropriate vancomycin dosing is associated with therapeutic failure, bacterial resistance and toxicity. Therapeutic drug monitoring (TDM) is acknowledged as an important part of the vancomycin therapy management, at least in specific patient subpopulations, but implementation in clinical practice has been difficult because there are no consensus and agglutinator documents. The aims of the present work are to present an overview of the current knowledge on vancomycin TDM and population pharmacokinetic (PPK) models relevant to specific patient subpopulations. Based on three published international guidelines (American, Japanese and Chinese) on vancomycin TDM and a bibliographic review on available PPK models for vancomycin in distinct subpopulations, an analysis of evidence was carried out and the current knowledge on this topic was summarized. The results of this work can be useful to redirect research efforts to address the detected knowledge gaps. Currently, TDM of vancomycin presents a moderate level of evidence and practical recommendations with great robustness in neonates, pediatric and patients with renal impairment. However, it is important to investigate in other subpopulations known to present altered vancomycin pharmacokinetics (eg neurosurgical, oncological and cystic fibrosis patients), where evidence is still unsufficient.
Climatology of extreme cold events in the central Peruvian Andes during austral summer: origin, types and teleconnections
Authors: Sulca Juan , Vuille Mathias , Roundy Paul , Takahashi Ken , Espinoza Jhan‐Carlo , Silva Yamina , Trasmonte Grace , Zubieta Ricardo 
Published: August 2018

The climatological and large‐scale characteristics of the extreme cold events (ECEs) in the central Peruvian Andes (Mantaro basin (MB)) during austral summer (January–March) are examined using reanalysis, gridded and in situ surface minimum temperature (Tmin) data for the 1979–2010 period.To describe the influence of the Madden–Julian Oscillation (MJO) on ECEs in the MB, two ECE groups are defined on the basis of the sign of the outgoing long‐wave radiation (OLR) anomalies in the MJO band (30–100 days, 0–9 eastward) at 12.5°S, 75°W. Type‐1 ECEs occur during the suppressed convection phase of the MJO (OLR anomalies ≥+2 W/m2) while Type‐2 ECEs occur during the enhanced convection phase of the MJO (OLR anomalies ≤−2 W/m2).ECEs in the MB are associated with the advection of cold and dry air along the east of the Andes through equatorward propagation of extratropical Rossby wave trains (ERWTs). This cold advection weakens the Bolivian High–Nordeste Low (BH‐NL) system over South America (SA) at upper‐tropospheric levels.The MJO is an important driver of ECEs in the MB, favouring the cold advection along the Andes during specific MJO phases. Fifty‐nine per cent of Type‐1 ECE's and 86% of Type‐2 ECE's occur in MJO Phases 7‐2. Type‐1 and 2 ECEs feature a weakened BH over SA at upper‐tropospheric levels. For Type‐1, ERWTs emanate from southeastern Africa in MJO Phases 8‐1 while ERWTs are strengthened when crossing the subtropical southern Pacific Ocean during MJO Phases 2 and 7. With respect to Type‐2, MJO Phases 7‐2 feature circumpolar Rossby wave trains propagating toward SA.Ultimately, MJO Phases 7‐2 induce negative Tmin anomalies over MB, while MJO Phases 3‐6 induce positive Tmin anomalies. El Niño and La Niña strengthen negative Tmin anomalies over the MB during MJO Phases 7‐8 while they weaken positive Tmin anomalies over the MB during MJO Phases 3‐6.
Eyringpy: A program for computing rate constants in the gas phase and in solution
Authors: Dzib Eugenia , Cabellos José Luis , Ortíz‐Chi Filiberto , Pan Sudip , Galano Annia , Merino Gabriel 
Published: August 2018

AbstractEyringpy is a modular program for calculating thermochemical properties and rate constants for reactions in the gas phase and in solution. The code is written in Python and it has a user‐friendly interface and a simple input format. Unimolecular and bimolecular reactions with one and two products are supported. Thermochemical properties are estimated through canonical ensemble and rate constants are computed according to the transition state theory. One‐dimensional Wigner and Eckart tunneling corrections are also available. Rate constants of bimolecular reactions involving the formation of pre‐reactive complexes are also estimated. To compute rate constants in solution, Eyringpy uses the Collins–Kimball theory to include the diffusion‐limit, the Marcus theory for electron transfer processes, and the molar fractions to account for the solvent pH effect.
Autologous Endothelial Progenitor Cells Transplantation for Acute Ischemic Stroke: A 4-Year Follow-Up Study
Authors: Fang Jie , Guo Yang , Tan Sheng , Li Zhanhui , Xie Huifang , Chen Pingyan , Wang Kai , He Zhicong , He Peng , Ke Yiquan , Jiang Xiaodan , Chen Zhenzhou 
Published: August 2018

Abstract
Transplantation of endothelial progenitor cells (EPCs) is a proven safe and effective method for treatment of cerebral ischemia in animal experiments. However, safety and efficacy need to be determined in clinical trials. We performed a two-center, randomized, placebo-controlled phase I/IIa trial with blinded outcome assessment on 18 patients with acute cerebral infarct within the middle cerebral artery territory, and followed for up to 4 years. Autologous ex vivo expanded EPCs were injected intravenously in the EPC group, and patients who received saline or autologous bone marrow stromal cells served as control groups. Mortality of any cause, adverse events, and new-onset comorbidities were monitored. Changes in neurological deficits were assessed at different time points. We found no toxicity events or infusional or allergic reactions in any treated group. Three patients in the placebo group died during the 4-year follow-up. We found that the EPC group had fewer serious adverse events compared with the placebo-controlled group, although there were no statistical differences in mortality among the three groups. Furthermore, there was no significant difference in neurological or functional improvement observed among the three groups, except for the Scandinavia Stroke Scale score at 3 months between the EPC group and placebo-controlled group. Autologous transplantation of EPCs appears to improve long-term safety in acute cerebral infarct patients, supporting the feasibility of this novel method for treatment of ischemic stroke (ClinicalTrials.gov: NCT01468064). Stem Cells Translational Medicine 2019;8:14–21
Community and programmatic factors influencing effective use of system dynamic models
Authors: Minyard Karen , Smith Tina A. , Turner Richard , Milstein Bobby , Solomon Lori 
Published: August 2018

AbstractDespite knowledge of factors that enable effective system dynamics modeling and organizational change, real‐life application of these tools in community settings remains challenging and often produces mixed results. We undertook a two‐part evaluation of early community use of the ReThink Health Dynamics Model (RTH model). The RTH model is a realistic, but simplified, portrait of a regional health system that supports multisector planning and strategy design. We assessed the contextual characteristics and implementation processes that promoted or undermined effective engagement with the model in five pilot sites. These learnings were used to refine a community readiness framework (Elements Affecting Modeling Use) that was then used to select and design a sixth community engagement. We use the evaluation results to assess the value of this organizing framework to identify communities ready for engagement with validated system dynamics models. Enabling better community–model matches will accelerate model adoption and health system transformation.© 2018 The Authors System Dynamics Review published by John Wiley & Sons Ltd on behalf of System Dynamics Society
New Manganese‐Terpyridine‐Based Catalytic System for the Dehydrogenative Coupling of Alcohols and Amines for the Synthesis of Aldimines
Authors: Lim Hyun , Chohan Prianka , Moustafa Dina , Sweet Chelsea , Calalpa Brenda , Kaur Parminder 
Published: August 2018

AbstractWe have developed novel Manganese‐terpyridine (Terpy) and Terpy‐derivative systems for dehydrogenative coupling of amines and alcohols in the presence of air. A variety of manganese salts were first screened and the effects of temperature, extent of catalytic loading, and different terpyridine derivatives on the efficiency of the reaction were thoroughly studied. The resulting aldimines were isolated in moderate to high yields, exhibiting the broad substrate scope of the reaction. The high yields of aldimines were obtained in the presence of both electron‐donating and electron‐withdrawing groups on alcohols and amines. However, with 4‐aminophenol and 2‐aminophenol, a steep decrease in the product yield was observed. The new system exhibits numerous advantages, such as the use of an inexpensive non‐precious metal like manganese, operational simplicity and simpler ligands. To the best of our knowledge, this is the first report where Mn‐Terpy catalytic system has been used for the synthesis of aldimines, well‐known substrates for a variety of addition reactions, through the dehydrogenative coupling reaction of alcohols with amines. The Mn‐Terpy complex is anticipated to form a dinuclear complex that controls the oxidation state of manganese to carry out the necessary dehydrogenative coupling.
Microwave Induced Stereoselective Synthesis of O–Vinyl Oximes using Acetylenic Esters as Efficient Michael Acceptors
Authors: Mishra Ankush , Singh Sundaram , Quraishi Mumtaz A. , Srivastava Vandana 
Published: August 2018

AbstractA new and convenient stereoselective synthesis of O–vinyl oximes involving Michael addition of N–hydroxysuccinimidyl derivatives to dialkyl acetylenedicarboxylates under conventional and microwave irradiation methods is described. Michael acceptors diethyl and dimethyl acetylenedicarboxylates yielded a mixture of syn‐(E) and anti‐(Z) isomers by conventional method. However, microwave irradiation stereoselectively yielded both isomers at different experimental parameters. The role of lone pairs of oxygen in sp3‐hybridized state in controlling the conformational preferences about N−O bond has also been demonstrated. The structures and stereochemistry of the adducts were established through FT‐IR, 1H, 13C NMR spectroscopy and X–ray crystallography.
Influence of Acetylation/Deacetylation on Aggregation‐Induced Emission, Chirality and Self‐Assembly Behavior of β‐d‐Glucopyranoside‐Tethered Naphthalene Diimide Amphiphiles
Authors: Kumar Rajnish , Ugale Sham N. , Kale Amol M. , Bhosale Rajesh S. , Narayan Ramanuj 
Published: August 2018

AbstractIn this work, two naphthalene diimide (NDI) amphiphile, viz., NDI‐P and NDI‐D were synthesized by tethering acetylated and deacetylated β‐d‐glucopyranoside respectively to the NDI via azide‐alkyne click chemistry. Further, the effect of acetylation/deacetylation of the β‐d‐glucopyranoside unit over fluorescence, chirality, self‐assembly and aggregation induced emission (AIE) properties of NDI amphiphiles were investigated. The NDI‐P aggregates exhibited cross‐stacked π‐π interaction, i. e., X‐aggregation whereas NDI‐D showed face‐to‐face π‐π interaction i. e., H‐aggregation in DMSO/H2O solvent mixture at higher volume % of water. Interestingly, NDI‐P exhibited AIE behavior because of X‐aggregation whereas, NDI‐D could not overcome the aggregation‐caused quenching (ACQ) and lost its fluorescence behavior completely. The chiral β‐d‐glucopyranoside subunits also induced supramolecular chirality to the self‐assembled NDI chromophores in DMSO/H2O solvent mixture at higher volume % of water. The induced circular dichroism (CD) was observed at wavelengths corresponding to their absorptions. Furthermore, the morphology of these amphiphiles was also governed by acetylation/deacetylation of β‐d‐glucopyranoside moiety as the NDI‐P self‐assembled to form nanorod while NDI‐D to the sphere at higher water fraction.
Synthesis of Triethylamine‐Bridged Basic Tricationic Ionic Liquids and Evaluation of Their Catalytic Efficiencies for Preparation of Arylidene or Alkylidenemalononitrile
Authors: Gogoi Pinky , Boruah Kabita , Borah Ruli 
Published: August 2018

AbstractTwo series of basic triethylamine bridged pyridinium/imidazolium tricationic ionic liquids were synthesized as viscous liquids by ion‐pairing with hydroxide, acetate and imidazolide as basic anions. The characterization of tricationic ionic liquids was done using 1H and 13C NMR, FT‐IR, Thermogravimetric analysis (TGA), Hammett basicity EI‐MS and elemental analysis techniques. Thermal stabilities were found within the range of 100–150 °C for these ionic liquids. They acted as efficient recyclable homogeneous catalysts for the representative Knoevenagel condensation of benzaldehyde and malononitrile at room temperature stirring in neat condition for 10–20 min. The catalytic activity of these ILs was found to be slightly different from each other for the model reaction and did not follow the same sequence of their measured Hammett basicity value.
Development of Easily Separable ZnO‐Supported Au Nanocatalyst for the Oxidative Esterification of Alcohols and Reduction of Nitroarenes
Authors: Galani Sunil M. , Giri Arnab K. , Ghosh Subhash C. , Panda Asit B. 
Published: August 2018

AbstractA simple and practical protocol is described for the reduction of aromatic nitro compounds and the oxidative esterification of alcohols by using a recyclable 3D assembled porous rectangular ZnO nanoplates supported gold nanocatalysts (Au/ZnO) under mild conditions. The support 3D assembled ZnO plate was synthesized simple strategy without employing any toxic reductants or capping agents and Au was loaded through simple impregnation method. The synthesized catalyst was characterized by powder X‐ray diffraction (XRD), X‐ray photoelectron spectroscopy (XPS), electron microscopic study (TEM & SEM), diffuse reflectance spectrum (DRS). The developed catalyst showed excellent catalytic activity for both the reaction and ended with good to excellent yield, up to 97% yield for nitro reduction and 90% yield for oxidative esterification. The catalyst is recyclable for a minimum five times without any significant loss in catalytic activity. The catalytic activities are superior or sometime comparable to that of the reported catalyst. The use of a developed catalyst is beneficial for of low cost and availability of good support ZnO and advantageous with respect to that of separation, easily separable by simple filtration due to the bigger size of support ZnO.
Pyridyl Azo‐Based Naphthyl Acetate for Sensing of Hydrazine and Perborate in Sol‐Gel Medium
Authors: Panja Atanu , Ghosh Kumaresh 
Published: August 2018

AbstractPyridyl azo‐based naphthyl acetate 1 has been designed and synthesized. Compound 1 acts as progelator in CH3CN‐H2O (1:1, v/v) and exhibits reactivity towards nucleophilic substrate for ester hydrolysis. In the presence of hydrazine and perborate, the solution of 1 in CH3CN‐H2O (1:1, v/v) undergoes gelation due to formation of intermediate compound 2 through removal of acetyl group. Gelation study reveals that while compound 2 in CH3CN‐H2O (1:1, v/v) forms gel, compound 1 remains in solution. Hydrazine brings gelation rapidly than perborate and validates their visual sensing. The deacetylation reaction has been supported by various spectroscopic data. Compound 1 in solution is also responsive to hydrazine with reasonably low detection limit. Other substrates, including perborate, did not generate a measurable response. As a proof‐of‐principle application, a test strip of compound 1 was shown to allow the detection of hydrazine in solution and vapor states. To the best of our knowledge, this is the first example of stimuli responsive low molecular weight gelator (LMWG) which dosimetrically senses hydrazine and perborate under different conditions.
Post‐Synthesized Method on Amine‐Functionalized MOF Membrane for CO2/CH4 Separation
Authors: Xiao Anshan , Cao Lujie , Li Xiangbo , Li Ying , Lin Yichao 
Published: August 2018

AbstractThe development of membranes for highly efficient CO2 separation from CH4 is important. Herein a CAU‐1 metal‐organic framework membrane with –NH2 functional groups was prepared and post‐synthetically modified with 3‐isocyanatopropyltriethox‐ysilane molecules. The post‐synthesized membrane demonstrates improved energetic interactions for CO2 over CH4 obtaining an ideal selectivity of 21.2 at 10 °C and 14.9 at 30 °C.
Green Synthesis of Acid‐Base Bi‐functional UiO‐66‐Type Metal‐Organic Frameworks Membranes Supported on Polyurethane Foam for Glucose Conversion
Authors: Zhang Yunlei , Zhao Jiaojiao , Wang Kai , Gao Lin , Meng Minjia , Yan Yongsheng 
Published: August 2018

AbstractWe herein report a green (aqueous solutions), mild (90 °C, atmospheric pressure), and scalable modulated hydrothermal (MHT) synthesis of acid‐base bi‐functional UiO‐66‐type metal‐organic frameworks membranes supported on polyurethane. Polyurethane foam was first modified with polydopamine (PDA) to obtain versatile carrier, i. e., PU@PDA. Then the novel acid‐base bi‐functional UiO‐66‐type MOFs membranes have been prepared on PU@PDA for the first time by in situ MHT method. By simply varying the ratio of organic ligands of monosodium 2‐sulfoterephthalate and 2‐aminoterephthalic for preparing MOFs membranes, the acidity and basicity of obtained composites, i. e., UiO‐66‐SO3H‐NH2/PDA@PU can be easily adjusted. The synthesized materials were well characterized and their catalytic performances were evaluated in one‐pot glucose to 5‐hydroxymethylfurfural (HMF) conversion. Results revealed the acid‐base bi‐functional catalyst possessing high activity and excellent stability. This work provides a general and economically viable approach for the large‐scale synthesis of water‐stable MOFs membranes catalysts with repeatable quality remains the key step for their massive production and commercialization.
α‐Csp3‐H Methylenation of Diketones to Synthesize Methylene‐Bridged Bis‐1,3‐Dicarbonyl Compounds and Polysubstituted Pyridines Using the DMSO/Selectfluor System
Authors: Gao Yejun , Zhou Dongheng , Ma Yongmin 
Published: August 2018

AbstractA direct α‐Csp3‐H methylenation of 1,3‐diketones to afford methylene‐bridged bis‐1,3‐dicarbonyl derivatives using dimethyl sulfoxide (DMSO) as a one‐carbon source was achieved in moderate to high yields in the presence of Selectfluor. The 1,3‐diketones can also be efficiently converted into Hantzsch‐type pyridines via one‐pot three‐component annulation reaction in the presence of DMSO and ammonium salt. The procedure avoids the use of transition metal catalysts and the reaction is efficient and operationally convenient.
Conjugated Thermolysis of Metal Chelate Monomers Based on Cobalt Acrylate Complexes with Polypyridyl Ligands and Tribological Performance of Nanomaterials Obtained
Authors: Uflyand Igor E. , Zhinzhilo Vladimir A. , Lapshina Lyudmila S. , Novikova Anastasia A. , Burlakova Victoria E. , Dzhardimalieva Gulzhian I. 
Published: August 2018

AbstractOver the last decades, conjugated thermolysis of metal chelate monomers (MCMs) has been widely used to produce various metal and metal oxide nanostructures. In the present study, a detailed analysis of the conjugate thermolysis of MCM based on cobalt(II) acrylate (Acr) complexes with 2,2′‐bipyridine (bpy) and 1,10‐phenanthroline (phen) was carried out. The main stages and kinetics features of conjugated thermolysis of MCMs are estimated. Metal‐polymer nanocomposites containing metal nanoparticles (NPs) uniformly distributed in a stabilizing nitrogen‐containing polymer matrix and Co3O4 NPs are obtained depending on the conditions of conjugated thermolysis. The composition, structure and properties of the nanomaterials obtained were studied using X‐ray diffraction (XRD), IR spectroscopy, atomic force microscopy (AFM), scanning electron microscopy (SEM), energy dispersive X‐ray spectroscopy (EDS) and thermal analysis (TA). Analysis of Co3O4 NPs as lubricant additives was carried out in the perspective of their tribological behavior using a pin‐on‐disc tribometer. At an optimum concentration of NPs, the coefficient of friction is the lowest. When the level of NPs increases above the optimum level, the coefficient of friction increases. With an increase in the load to 196 N, the coefficient of friction decreases with increasing concentration.
Synthesis of Thiophene S,S‐dioxide Based Acenes via Diels‐Alder Reaction of Isobenzofurans with Benzothiophene S,S‐dioxides
Authors: Karunakaran Jayachandran , Manikandan Palani , Sathish Murugan , Mohanakrishnan Arasambattu K. 
Published: August 2018

AbstractAnnulative π‐extension of benzothiophene S,S‐dioxide analogues has been achieved via Diels‐Alder reaction of symmetrical 1,3‐diaryl/heteroarylbenzo[c]furans with benzothiophene S,S‐dioxides in toluene at reflux followed by PTSA‐mediated deoxygenation reaction. Employing this one‐pot π‐extension protocol, synthesis of complex seven and nine member heteroacenes was also achieved.
Hierarchical Interconnected Expanded Graphitic Ribbons Embedded with Amorphous Carbon: An Advanced Carbon Nanostructure for Superior Lithium and Sodium Storage
Authors: Yang Wang , Yang Wu , Zhang Fan , Wang Guoxiu , Shao Guangjie 
Published: August 2018

AbstractCarbon materials have attracted considerable attention as anodes for lithium‐ion and sodium‐ion batteries due to their low cost and environmental friendliness. This work reports an advanced carbon nanostructure that takes advantage of the chelation effect of glucose and metal ions, which ensures the uniform dispersion of metal in the precursor. Thus, an effective catalytic conversion from sp3 to sp2 carbon occurs, enabling simultaneously formation of pores with catalyzed graphitic structures. Due to the low carbonization temperature and short carbonization time as well as the different catalytic degree of various metals, a series of expanded graphitic layers from 0.34 to 0.44 nm with defects and amorphous carbon structure are obtained. The structure not only offers accessible graphitic spacings for reversible lithium/sodium ion insertion, but also provides abundant active sites for lithium/sodium ion adsorption in the defects and amorphous structure. Moreover, the hierarchical interconnected porous structure combining graphitic ribbons is beneficial for fast electronic/ionic transport and favorable electrolyte permeation. More importantly, such advanced carbon materials prove their feasibility for balancing the pore structure and degree of graphitization. When serving as the electrode material for lithium‐ion and sodium‐ion batteries, excellent electrochemical performance along with fast kinetics and long cycle life is achieved.