bluuebunny/crossref_metadata_2025_split huggingface dataset:
In Situ Scatheless Cell Detachment Reveals Correlation between Adhesion Strength and Viability at Single‐Cell Resolution
Authors: Mao Sifeng , Zhang Wanling , Huang Qiushi , Khan Mashooq , Li Haifang , Uchiyama Katsumi , Lin Jin‐Ming 
Published: November 2017

AbstractSingle‐cell biology provides insights into some of the most fundamental processes in biology and promotes the understanding of life's mysteries. As the technologies to study single‐cells expand, they will require sophisticated analytical tools to make sense of various behaviors and components of single‐cells as well as their relations in the adherent tissue culture. In this paper, we revealed cell heterogeneity and uncovered the connections between cell adhesion strength and cell viability at single‐cell resolution by extracting single adherent cells of interest from a standard tissue culture by using a microfluidic chip‐based live single‐cell extractor (LSCE). We believe that this method will provide a valuable new tool for single‐cell biology.
Fluorine in a C−F Bond as the Key to Cage Formation
Authors: Holl Maxwell Gargiulo , Pitts Cody Ross , Lectka Thomas 
Published: November 2017

AbstractCage molecules have long been employed to trap reactive or transient species, as their rigid nature allows them to enforce situations that otherwise would not persist. In this Minireview, we discuss our use of rigid cage structures to investigate the close noncovalent interactions of fluorine with other functional groups and determine how mutual proximity affects both physical properties and reactivity. Unusual covalent interactions of fluorine are also explored: the cage can close to form the first solution‐phase C‐F‐C fluoronium ion.
A Simple Prelithiation Strategy To Build a High‐Rate and Long‐Life Lithium‐Ion Battery with Improved Low‐Temperature Performance
Authors: Liu Yao , Yang Bingchang , Dong Xiaoli , Wang Yonggang , Xia Yongyao 
Published: November 2017

AbstractLithium‐ion batteries (LIBs) are being used to power the commercial electric vehicles (EVs). However, the charge/discharge rate and life of current LIBs still cannot satisfy the further development of EVs. Furthermore, the poor low‐temperature performance of LIBs limits their application in cold climates and high altitude areas. Herein, a simple prelithiation method is developed to fabricate a new LIB. In this strategy, a Li3V2(PO4)3 cathode and a pristine hard carbon anode are used to form a primary cell, and the initial Li+ extraction from Li3V2(PO4)3 is used to prelithiate the hard carbon. Then, the self‐formed Li2V2(PO4)3 cathode and prelithiated hard carbon anode are used to form a 4 V LIB. The LIB exhibits a maximum energy density of 208.3 Wh kg−1, a maximum power density of 8291 W kg−1 and a long life of 2000 cycles. When operated at −40 °C, the LIB can keep 67 % capacity of room temperature, which is much better than conventional LIBs.
A General Strategy for Development of Near‐Infrared Fluorescent Probes for Bioimaging
Authors: Chen Wei , Xu Shi , Day Jacob J. , Wang Difei , Xian Ming 
Published: November 2017

AbstractNear‐infrared (NIR) fluorescent dyes with favorable photophysical properties are highly useful for bioimaging, but such dyes are still rare. The development of a unique class of NIR dyes via modifying the rhodol scaffold with fused tetrahydroquinoxaline rings is described. These new dyes showed large Stokes shifts (>110 nm). Among them, WR3, WR4, WR5, and WR6 displayed high fluorescence quantum yields and excellent photostability in aqueous solutions. Moreover, their fluorescence properties were tunable by easy modifications on the phenolic hydroxy group. Based on WR6, two NIR fluorescent turn‐on probes, WSP‐NIR and SeSP‐NIR, were devised for the detection of H2S. The probe SeSP‐NIR was applied in visualizing intracellular H2S. These dyes are expected to be useful fluorophore scaffolds in the development of new NIR probes for bioimaging.
Shape‐Controlled Surface‐Coating to Pd@Mesoporous Silica Core–Shell Nanocatalysts with High Catalytic Activity and Stability
Authors: Ying Jie , Janiak Christoph , Xiao Yu‐Xuan , Wei Hao , Yang Xiao‐Yu , Su Bao‐Lian 
Published: November 2017

AbstractCubic Pd nanocrystals with shape‐controlled mesoporous silica shells have been theoretically designed and successfully synthesized for investigating the effect of a porous nanoshell on catalytic performance of the core. Cubic Pd@cubic mesoporous silica keeps activity of all facets and shows highest catalytic activity and enhanced reusability in the hydrogenation of nitrobenzene.
Changes in Sensitivity to the Effects of Atrazine on the Luteinizing Hormone Surge in Female Sprague‐Dawley Rats after Repeated Daily Doses: Correlation with Liver Enzyme Expression
Authors: Breckenridge Charles B. , Foradori Chad D. , Sawhney Coder Pragati , Simpkins James W. , Sielken Robert L. , Handa Robert J. 
Published: November 2017

BackgroundAtrazine suppression of the LH surge slowly develops over time and peaks after 4 days; sensitivity to atrazine decreases after 8 or 14 days of dosing. Adaptation of the LH response was correlated with increased phase I and phase II liver enzyme activity/expression.MethodsThe effect of atrazine on the LH surge was evaluated in female Sprague‐Dawley rats administered 100 mg/kg/day atrazine by gavage for 1, 2, 3, or 4 consecutive days or 6.5, 50, or 100 mg/kg/day atrazine for 4, 8, or 14 days.ResultsNo statistically significant effects of atrazine were seen on peak plasma LH or LH area under the curve (AUC) after one, two, or three doses of 100 mg/kg/day. Four daily doses of 50 or 100 mg/kg atrazine significantly reduced peak LH and LH AUCs, whereas 6.5 mg/kg/day had no effect. After 8 or 14 days of treatment, statistically significantly reduced peak LH and LH AUC were observed in the 100 mg/kg/day dose group, but not in the 6.5 or 50 mg/kg/day dose groups, although significantly reduced LH was observed in one sample 9 hr after lights‐on in the 50 mg/kg/day dose group on day 14. The number of days of treatment required to achieve a significant suppression of the LH surge is consistent with the repeat‐dose pharmacokinetics of the chlorotriazines.ConclusionThe apparent adaptation to the effect of atrazine on the LH surge after 8 or 14 days may be related to the induction of phase I or, more likely, phase II metabolism observed in this study after 8 days, or to a decreased sensitivity of the hypothalamic‐pituitary‐adrenal axis or an homeostatic adaption of the effect of atrazine on the LH surge mechanism. Birth Defects Research 110:246–258, 2018. © 2017 The Authors. Birth Defects Research Published by Wiley Periodicals, Inc.
Analysis and measurement of serotonin
Authors: Szeitz András , Bandiera Stelvio M. 
Published: November 2017

AbstractSerotonin, also known as 5‐hydroxytryptamine, is an important signaling molecule in the central and peripheral nervous systems of humans. Acting through several receptor types, it helps regulate the normal functioning of the gastrointestinal tract, cardiovascular system and brain. Serotonin signaling has also been implicated in the etiology of several diseases, including depression, anxiety disorders, hypertension and irritable bowel syndrome. The present review focuses on the chemical analysis of serotonin in biological fluids and biomatrices and traces the development and application of early methods based on UV absorbance or fluorescence to more widely used current methods such as high‐performance liquid chromatography coupled to mass spectrometry. A brief summary of the biochemistry, metabolism and physiological roles of serotonin is also presented.
Treatment utilization and outcomes in elderly patients with locally advanced esophageal carcinoma: a review of the National Cancer Database
Authors: Vlacich Gregory , Samson Pamela P. , Perkins Stephanie M. , Roach Michael C. , Parikh Parag J. , Bradley Jeffrey D. , Lockhart A. Craig , Puri Varun , Meyers Bryan F. , Kozower Benjamin , Robinson Cliff G. 
Published: November 2017

AbstractFor elderly patients with locally advanced esophageal cancer, therapeutic approaches and outcomes in a modern cohort are not well characterized. Patients ≥70 years old with clinical stage II and III esophageal cancer diagnosed between 1998 and 2012 were identified from the National Cancer Database and stratified based on treatment type. Variables associated with treatment utilization were evaluated using logistic regression and survival evaluated using Cox proportional hazards analysis. Propensity matching (1:1) was performed to help account for selection bias. A total of 21,593 patients were identified. Median and maximum ages were 77 and 90, respectively. Treatment included palliative therapy (24.3%), chemoradiation (37.1%), trimodality therapy (10.0%), esophagectomy alone (5.6%), or no therapy (12.9%). Age ≥80 (OR 0.73), female gender (OR 0.81), Charlson–Deyo comorbidity score ≥2 (OR 0.82), and high‐volume centers (OR 0.83) were associated with a decreased likelihood of palliative therapy versus no treatment. Age ≥80 (OR 0.79) and Clinical Stage III (OR 0.33) were associated with a decreased likelihood, while adenocarcinoma histology (OR 1.33) and nonacademic cancer centers (OR 3.9), an increased likelihood of esophagectomy alone compared to definitive chemoradiation. Age ≥80 (OR 0.15), female gender (OR 0.80), and non‐Caucasian race (OR 0.63) were associated with a decreased likelihood, while adenocarcinoma histology (OR 2.10) and high‐volume centers (OR 2.34), an increased likelihood of trimodality therapy compared to definitive chemoradiation. Each treatment type demonstrated improved survival compared to no therapy: palliative treatment (HR 0.49) to trimodality therapy (HR 0.25) with significance between all groups. Any therapy, including palliative care, was associated with improved survival; however, subsets of elderly patients with locally advanced esophageal cancer are less likely to receive aggressive therapy. Care should be taken to not unnecessarily deprive these individuals of treatment that may improve survival.
A Multiperspective Approach to Solvent Regulation of Enzymatic Activity: HMG‐CoA Reductase
Authors: Dirkmann Michael , Iglesias‐Fernández Javier , Muñoz Victor , Sokkar Pandian , Rumancev Christoph , von Gundlach Andreas , Krenczyk Oktavian , Vöpel Tobias , Nowack Julia , Schroer Martin A. , Ebbinghaus Simon , Herrmann Christian , Rosenhahn Axel , Sanchez‐Garcia Elsa , Schulz Frank 
Published: November 2017

Abstract3‐Hydroxy‐3‐methylglutaryl–coenzyme A (HMG‐CoA) reductase was investigated in different organic cosolvents by means of kinetic and calorimetric measurements, molecular dynamics simulations, and small‐angle X‐ray scattering. The combined experimental and theoretical techniques were essential to complement each other's limitations in the investigation of the complex interaction pattern between the enzyme, different solvent types, and concentrations. In this way, the underlying mechanisms for the loss of enzyme activity in different water‐miscible solvents could be elucidated. These include direct inhibitory effects onto the active center and structural distortions.
Design and Fabrication of Concentration‐Gradient Generators with Two and Three Inlets in Microfluidic Chips
Authors: Hu Zengliang , Chen Xueye , Wang Lei 
Published: November 2017

AbstractA simple and low‐cost method for designing and fabricating concentration‐gradient generators with two and three inlets is proposed which can generate different concentration gradients at varying flow velocities. The microchannel structure was designed in S‐shape and left‐right symmetry. The concentration‐gradient generator was simulated based on the finite element method. The microchannels were processed on a computer numerical control (CNC) engraving and milling machine on poly(methylmethacrylate) substrate, and then two concentration‐gradient generators were fabricated by hot bonding technology. The results of experiment and simulation were compared to prove the feasibility of the method. Flow velocity was an important factor for generating different concentration gradients. The concentration‐gradient profiles of the generators with two and three inlets present approximately linear and quadratic curves.
Baseline and interferent correction by the Tikhonov regularization framework for linear least squares modeling
Authors: Skogholt Joakim , Liland Kristian Hovde , Indahl Ulf Geir 
Published: November 2017

AbstractSpectroscopic data are usually perturbed by noise from various sources that should be removed prior to model calibration. After conducting a preprocessing step to eliminate unwanted multiplicative effects (effects that scale the pure signal in a multiplicative manner), we discuss how to correct a model for unwanted additive effects in the spectra. Our approach is described within the Tikhonov regularization (TR) framework for linear regression model building, and our focus is on ignoring the influence of noninformative polynomial trends. This is obtained by including an additional criterion in the TR problem penalizing the resulting regression coefficients away from a selected set of possibly disturbing directions in the sample space. The presented method builds on the extended multiplicative signal correction, and we compare the two approaches on several real data sets showing that the suggested TR‐based method may improve the predictive power of the resulting model. We discuss the possibilities of imposing smoothness in the calculation of regression coefficients as well as imposing selection of wavelength regions within the TR framework. To implement TR efficiently in the model building, we use an algorithm that is heavily based on the singular value decomposition. Because of some favorable properties of the singular value decomposition, it is possible to explore the models (including their generalized cross‐validation error estimates) associated with a large number of regularization parameter values at low computational cost.
Directed RhI‐Catalyzed Asymmetric Hydroboration of Prochiral 1‐Arylcycloprop‐2‐Ene‐1‐Carboxylic Acid Derivatives
Authors: Edwards Andrew , Rubina Marina , Rubin Michael 
Published: November 2017

AbstractA full account on rhodium‐catalyzed asymmetric, directed hydroboration of functionalized prochiral cyclopropenes affording enantiomerically enriched cyclopropylboronates is reported. The scope and limitations of two alternate directing groups, ester and carboxamide, are evaluated. It was found that hydroboration of esters appeared to be more sensitive to substitution in the aromatic ring of the substrates. Specifically, ortho‐halogens were detrimental for diastereo‐ and enantioselectivity, possibly because of additional coordination with rhodium. In contrast, more Lewis‐basic amide directing groups allowed for stronger chelation to the transition metal, leading to consistently high diastereo‐ and enantioselectivity in hydroboration across a broader range of substrates.
SQMOM Hydrodynamic Modelling of Kühni Columns for Reactive Extraction
Authors: Korb Christian , Alzyod Samer Suleiman , Attarakih Menwer , Bart Hans‐Jörg 
Published: November 2017

AbstractDas SQMOM (sectional quadrature method of moments)‐Modell wurde erstmals für ein reaktives Stoffsystem (EFCE‐Stoffsystem für die Zinkextraktion mit dem Ionentauscher Di‐(2‐ethylhexyl)‐phosphorsäure (D2EHPA)) in einer DN32‐Kühni‐Kolonne validiert. Dabei wurde die Auswirkung des Ionentauschers sowie der Betriebsparameter Rührerdrehzahl, Phasenverhältnis und Phasenbelastungen auf die hydrodynamischen Kenngrößen wie Hold‐up, Flutgrenzen und Tropfengrößenverteilungen betrachtet. Ein Vergleich zeigte eine gute Übereinstimmung des 1D‐Populationsmodells mit den experimentellen Ergebnissen.
Supramolekulare Chemie
Authors: Kubik Stefan 
Published: November 2017

ZusammenfassungSeit der Auszeichnung mit dem Nobelpreis vor 30 Jahren hat sich die Supramolekulare Chemie zu einem außerordentlich dynamischen und innovativen Forschungsgebiet entwickelt. Ausgehend von einer Vorstellung der drei Nobelpreisträger und ihrer Arbeiten werden in diesem Artikel die wissenschaftlichen Fragestellungen beschrieben, zu denen die Supramolekulare Chemie heute Beiträge leistet. Besonderes Augenmerk liegt dabei auf Beispielen für Systeme und Konzepte, die Eingang in praktische Anwendungen gefunden haben. Es soll dadurch verdeutlicht werden, dass die Supramolekulare Chemie die chemische Forschung der letzten Jahrzehnte maßgeblich mitgeprägt hat und sogar Ausgangspunkt für ganz neue Forschungsrichtungen war.
On the mixing characteristics of a poorly water soluble drug through microfluidic‐assisted nanoprecipitation: Experimental and numerical study
Authors: Rahimi Masoud , Valeh‐e‐Sheyda Peyvand , Zarghami Reza , Rashidi Hamed 
Published: November 2017

AbstractNanoprecipitation of curcumin from its ethanolic solutions was carried out at a microfluidic scale by the liquid anti‐solvent technique, in the presence of SDS as a stabilizer. Attention was mainly paid to the mixing angle of the water and ethanol in three micro‐fabricated channels. The nanosuspension quality was measured by particle size distribution and polydispersity index. BET surface area, dissolution test, FTIR spectra, and XRD patterns of the optimized nanosuspension were also evaluated experimentally. In particular, narrow size distribution of curcumin particles was achieved under well‐controlled conditions of large confluence angles. The amorphous ultrafine curcumin powder exhibited enhanced dissolution properties when compared to the raw material. To explain the precipitation results, a species 3D model was created by computational fluid dynamics (CFD). The pressure drop was compared to the quantitative experimental data to validate the CFD computations. Altogether, the similarities in observations and the mass fraction and velocity predictions of the 3D model revealed that the injection angle of microfluidic devices is a key parameter for the resultant curcumin nanoparticle size.
Adherence to treatment guidelines and survival for older patients with stage II or III colon cancer in Texas from 2001 through 2011
Authors: Zhao Hui , Zhang Ning , Ho Vivian , Ding Minming , He Weiguo , Niu Jiangong , Yang Ming , Du Xianglin L. , Zorzi Daria , Chavez‐MacGregor Mariana , Giordano Sharon H. 
Published: November 2017

BACKGROUNDTreatment guidelines for colon cancer recommend colectomy with lymphadenectomy of at least 12 lymph nodes for patients with stage I to stage III disease as surgery adherence (SA) and adjuvant chemotherapy for individuals with stage III disease. Herein, the authors evaluated adherence to these guidelines among older patients in Texas with colon cancer and the associated survival outcomes.METHODSUsing Texas Cancer Registry data linked with Medicare data, the authors included patients with AJCC stage II and III colon cancer who were aged ≥66 years and diagnosed between 2001 and 2011. SA and adjuvant chemotherapy adherence rates to treatment guidelines were estimated. The chi‐square test, general linear regression, survival probability, and Cox regression were used to identify factors associated with adherence and survival.RESULTSThe rate of SA increased from 47.2% to 84% among 6029 patients with stage II or stage III disease from 2001 to 2011, and the rate of adjuvant chemotherapy increased from 48.9% to 53.1% for patients with stage III disease during the same time period. SA was associated with marital status, tumor size, surgeon specialty, and year of diagnosis. Patient age, sex, marital status, Medicare state buy‐in status, comorbidity status, and year of diagnosis were found to be associated with adjuvant chemotherapy. The 5‐year survival probability for patients receiving guideline‐concordant treatment was the highest at 87% for patients with stage II disease and was 73% for those with stage III disease. After adjusting for demographic and tumor characteristics, improved cancer cause‐specific survival was associated with the receipt of stage‐specific, guideline‐concordant treatment for patients with stage II or stage III disease.CONCLUSIONSThe adherence to guideline‐concordant treatment among older patients with colon cancer residing in Texas improved over time, and was associated with better survival outcomes. Future studies should be focused on identifying interventions to improve guideline‐concordant treatment adherence. Cancer 2018;124:679‐87. © 2017 American Cancer Society.
A Mathematical Theory of Optimal Milestoning (with a Detour via Exact Milestoning)
Authors: Lin Ling , Lu Jianfeng , Vanden‐Eijnden Eric 
Published: November 2017

AbstractMilestoning is a computational procedure that reduces the dynamics of complex systems to memoryless jumps between intermediates, or milestones, and only retains some information about the probability of these jumps and the time lags between them. Here we analyze a variant of this procedure, termed optimal milestoning, which relies on a specific choice of milestones to capture exactly some kinetic features of the original dynamical system. In particular, we prove that optimal milestoning permits the exact calculation of the mean first passage times (MFPT) between any two milestones. In so doing, we also analyze another variant of the method, called exact milestoning, which also permits the exact calculation of certain MFPTs, but at the price of retaining more information about the original system's dynamics. Finally, we discuss importance sampling strategies based on optimal and exact milestoning that can be used to bypass the simulation of the original system when estimating the statistical quantities used in these methods.© 2017 Wiley Periodicals, Inc.
Electronic Structure Calculations and Experimental Studies on the Thermal Initiation of the Twin Polymerization Process
Authors: Auer Alexander A. , Bistoni Giovanni , Kitschke Philipp , Mehring Michael , Ebert Thomas , Spange Stefan 
Published: November 2017

AbstractPresented here is a combined computational and experimental study on the thermal initiation process of the twin polymerization. Although thermally initiated twin polymerization offers a versatile scheme for obtaining hybrid organic/inorganic nanocomposite materials, the mechanism for its initiation is very different from the proton‐initiated twin polymerization. In this study, the basic mechanism of the early steps of the polymerization process of 4 H,4 H′‐2,2′‐spirobi[benzo[d][1,3,2]dioxasiline] was investigated by using electronic structure calculations in conjunction with experimental differential scanning calorimetry studies. This way, the influences on the thermally initiated twin polymerization process could be analyzed in detail. The previous mechanistic hypotheses are systematically assessed herein to show that, based on the results, a new hypothesis for an initiation mechanism can be formulated that is in agreement with all experimental observations. These results suggest that, before the formation of the polymer networks, the thermal initiation starts with the formation of low‐molecular‐weight fragments that react to yield acidic groups. If a sufficient amount of these form, the reaction is ultimately funneled into a mechanism similar to that of proton‐initiated twin polymerization.
Visualization and Modeling of the In Vivo Distribution of Mesenchymal Stem Cells
Authors: Wang Haolu , Thorling Camilla A. , Xu Zhi Ping , Crawford Darrell H. G. , Liang Xiaowen , Liu Xin , Roberts Michael S. 
Published: November 2017

AbstractThis unit describes a protocol for elucidating the in vivo disposition of administered mesenchymal stem cells (MSCs). Specifically, direct visualization of donor cell spatiotemporal distribution and assessment of donor cell quantity in recipient organs are described. Protocols for data analysis are suggested, with the goal of developing a model to characterize and predict the physiological kinetics of administered MSCs. The use of this model is described, suggesting that it can be applied to abnormal conditions and has potential interspecies and inter‐route predictive capability. These universal methods can be employed, regardless of the type of stem cell or disease, to guide future experiments and design treatment protocols. © 2017 by John Wiley & Sons, Inc.