bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis, characterization and luminescence of europium perchlorate with MABA‐Si complex and coating structure SiO2@Eu(MABA‐Si) luminescence nanoparticles
Authors: Fu Zhi‐Fang , Li Wen‐Xian , Bai Juan , Bao Jin‐Rong , Cao Xiao‐fang , Zheng Yu‐Shan 
Published: July 2016

AbstractThis article reports a novel category of coating structure SiO2@Eu(MABA‐Si) luminescence nanoparticles (NPs) consisting of a unique organic shell, composed of perchlorate europium(III) complex, and an inorganic core, composed of silica. The binary complex Eu(MABA‐Si)3·(ClO4)3·5H2O was synthesized using HOOCC6H4N(CONH(CH2)3Si(OCH2CH3)3)2 (MABA‐Si) and was used as a ligand. Furthermore, the as‐prepared silica NPs were successfully coated with the ‐Si(OCH2CH3)3 group of MABA‐Si to form Si–O–Si chemical bonds by means of the hydrolyzation of MABA‐Si. The binary complexes were characterized by elemental analysis, molar conductivity and coordination titration analysis. The results indicated that the composition of the binary complex was Eu(MABA‐Si)3·(ClO4)3·5H2O. Coating structure SiO2@Eu(MABA‐Si) NPs were characterized using transmission electron microscopy (TEM), scanning electron microscopy (SEM) and infrared (IR) spectra. Based on the SEM and TEM measurements, the diameter of core‐SiO2 particles was ~400 and 600 nm, and the thickness of the cladding layer Eu(MABA‐Si) was ~20 nm. In the binary complex Eu(MABA‐Si)3·(ClO4)3·5H2O, the fluorescence spectra illustrated that the energy of the ligand MABA‐Si transferred to the energy level for the excitation state of europium(III) ion. Coating structure SiO2@Eu(MABA‐Si) NPs exhibited intense red luminescence compared with the binary complex. The fluorescence lifetime and fluorescence quantum efficiency of the binary complex and of the coating structure NPs were also calculated. The way in which the size of core‐SiO2 spheres influences the luminescence was also studied. Moreover, the luminescent mechanisms of the complex were studied and explained.
Reliable measurements of brain atrophy in individual patients with multiple sclerosis
Authors: Smeets Dirk , Ribbens Annemie , Sima Diana M. , Cambron Melissa , Horakova Dana , Jain Saurabh , Maertens Anke , Van Vlierberghe Eline , Terzopoulos Vasilis , Van Binst Anne‐Marie , Vaneckova Manuela , Krasensky Jan , Uher Tomas , Seidl Zdenek , De Keyser Jacques , Nagels Guy , De Mey Johan , Havrdova Eva , Van Hecke Wim 
Published: July 2016

AbstractIntroductionAs neurodegeneration is recognized as a major contributor to disability in multiple sclerosis (MS), brain atrophy quantification could have a high added value in clinical practice to assess treatment efficacy and disease progression, provided that it has a sufficiently low measurement error to draw meaningful conclusions for an individual patient.MethodIn this paper, we present an automated longitudinal method based on Jacobian integration for measuring whole‐brain and gray matter atrophy based on anatomical magnetic resonance images (MRI), named MSmetrix. MSmetrix is specifically designed to measure atrophy in patients with MS, by including iterative lesion segmentation and lesion filling based on FLAIR and T1‐weighted MRI scans.ResultsMSmetrix is compared with SIENA with respect to test–retest error and consistency, resulting in an average test–retest error on an MS data set of 0.13% (MSmetrix) and 0.17% (SIENA) and a consistency error of 0.07% (MSmetrix) and 0.05% (SIENA). On a healthy subject data set including physiological variability the test–retest is 0.19% (MSmetrix) and 0.31% (SIENA).ConclusionTherefore, we can conclude that MSmetrix could be of added value in clinical practice for the follow‐up of treatment and disease progression in MS patients.
The long noncoding RNA CASC9 regulates migration and invasion in esophageal cancer
Authors: Pan Zhiwen , Mao Weimin , Bao Yejiang , Zhang Min , Su Xinhua , Xu Xiaohong 
Published: July 2016

AbstractThe objective of the study was to investigate the expression and functions of CASC9 in esophageal squamous cell carcinoma (ESCC). Long noncoding RNAs (lncRNAs) upregulated in ESCC tissues were detected by RNA sequencing. Expression of CASC9 was determined from clinical samples and cell lines by qRT‐PCR. The effects of CASC9 knockdown on migration and invasion were evaluated by wound healing assay, cell migration and invasion assays in vitro. We found that the lncRNA, CASC9, was markedly upregulated in ESCC tissues. Furthermore, knockdown of CASC9 significantly suppressed cell migration and invasion in vitro. Furthermore, enhanced CASC9 expression level was correlated with differentiation. The results indicated that CASC9 is significantly upregulated in ESCC tissues and may represent a new marker of poor prognosis and a potential therapeutic target for esophageal cancer intervention.
Response rates and durability of chemotherapy among 62 patients with metastatic Merkel cell carcinoma
Authors: Iyer Jayasri G. , Blom Astrid , Doumani Ryan , Lewis Christopher , Tarabadkar Erica S. , Anderson Austin , Ma Christine , Bestick Amy , Parvathaneni Upendra , Bhatia Shailender , Nghiem Paul 
Published: July 2016

AbstractCytotoxic chemotherapy is commonly used to treat advanced Merkel cell carcinoma (MCC). However, its efficacy in distant metastatic MCC patients is unclear, in part because most prior reports aggregated these patients with those receiving adjuvant chemotherapy and combined chemoradiation for whom prognosis and outcomes may differ. In this retrospective study, we analyzed detailed records from 62 patients with distant metastatic MCC treated with cytotoxic chemotherapy. Efficacy outcomes including response rate (RR), durability of response (DOR), progression‐free survival (PFS), and overall survival (OS) were evaluated. In this cohort, platinum plus etoposide was the most commonly used first‐line regimen (69%). RR to first‐line chemotherapy was 55% (34/62) with complete responses (CR) in 13% (8/62) and partial responses (PR) in 42% (26/62) while 6% (4/62) had stable disease and 39% (24/62) had progressive disease. Median PFS was 94 days and median OS was 9.5 months from start of chemotherapy. Among responding patients (n = 34), median PFS was 168 days and median DOR was 85 days. Among 30 of the 62 patients who received second‐line chemotherapy, RR was 23% (7/30; 1 CR, 6 PR), median PFS was 61 days, and median DOR was 101 days. In summary, first‐line chemotherapy is associated with a high RR in metastatic MCC, but responses are typically not durable, and the median PFS is only 3 months. These results suggest rapid emergence of chemoresistance in MCC tumors, and may serve as a useful comparator for immunotherapies currently being explored for metastatic MCC.
Numerical Investigation of Flow Patterns and Concentration Profiles in Y‐Mixers
Authors: Babu Harsha Vardhan , Sahu Swati , Haderlein Michael , Peukert Wolfgang , Verma Nishith 
Published: July 2016

AbstractThe fluid flow patterns and associated concentration fields in Y‐mixers are investigated using lattice Boltzmann method‐based models. The focus lies on the impact of the mixing angle on the flow and concentration fields, with the mixing angle varying between acute (θ = 10°) and obtuse (θ = 130°) angles. Residence time distributions are determined to study the effect of the angles on the mixing and velocity patterns, in particular, different flow regimes, i.e., stratified laminar, vortex, and engulfment flow. The results from the simulations are validated with literature data and found to be in good agreement. Maximum mixing occurs in the 100° obtuse‐angle Y‐mixer, attributed to the extensive engulfment of flows in the mixing channel.
Hot Water Pretreatment of Lignocellulosic Biomass: An Effective and Environmentally Friendly Approach to Enhance Biofuel Production
Authors: Yan Lishi , Ma Ruoshui , Li Liangzhi , Fu Jiaolong 
Published: July 2016

AbstractHot water pretreatment without usage of chemicals is a particularly attractive approach for pretreatment of lignocellulosic biomass due to its fewer safety and environmental concerns as well as relatively low cost. However, a prohibitive amount of sugar degradation products limits the efficiency of such pretreatment, and excessive water consumption accompanied with the over‐diluted sugar streams still impedes the implementation of this pretreatment to be an economically viable pathway. These limitations are associated with the scant attention of water‐biomass interaction mechanism and engineering aspects regarding kinetic modeling and reactor configurations. This review aims at investigating those critical factors in terms of chemistry and engineering fundamentals in order to understand the correct axiomatic approaches needed to advance this technology. Various reactor configurations and kinetic models are evaluated to explore optimization strategies toward application.
Methyl fluorosulfonyldifluoroacetate (MFSDA): An Underutilised Reagent for Trifluoromethylation
Authors: Clarke Sarah L. , McGlacken Gerard P. 
Published: July 2016

AbstractThe introduction of fluorine groups to pharmaceutical compounds can have a dramatic effect on the lipophilicity and metabolic stability of the molecule in vivo. Around 20 % of drugs contain at least one fluorine atom. The trifluoromethyl group is known to have beneficial effects and can dramatically affect the biological activity when substituted for a methyl group, for example. In any case, the direct and late‐stage introduction of a trifluoromethyl group is a powerful transformation in the tool box of the medicinal chemist. The use of methyl fluorosulfonyldifluoroacetate (MFSDA) as a relatively inexpensive reagent for trifluoromethylation was first reported in 1989; however, in our opinion it has been somewhat underutilised. Herein, a comprehensive review of trifluoromethylation using MFSDA is reported, which we hope will further expose readers to this useful reagent.
Fine‐Tuning of Saponification‐Triggered Gelation by Strategic Modification of Peripheral Substituents: Gelation Regulators
Authors: Kumar Ashish , Singh Roop Shikha , Kumar Amit , Ali Afsar , Biswas Arnab , Pandey Daya Shankar 
Published: July 2016

AbstractA pioneering approach towards controlling the efficiency of saponification assisted gelation in ethyl ester based ZnII‐complexes have been described. Using four new ester containing bis‐salen ZnII complexes (C1–C4) involving different para‐azo phenyl substituted ligands it has been clearly shown that gelation efficiency is greatly influenced by the electronic effects of the substituents (‐H (C1), ‐CH3 (C2), ‐NO2 (C3), and ‐OCH3 (C4)). Morphological, photophysical, and rheological investigations corroborated the experimental observations well and established that gelation efficiency was enhanced with electron‐withdrawing characteristics of substituents (C4<C2<C1<C3). This conclusion was also supported by DFT studies.
Modulating the Nucleated Self‐Assembly of Tri‐β3‐Peptides Using Cucurbit[n]urils
Authors: Satav Tushar , Korevaar Peter , de Greef Tom F. A. , Huskens Jurriaan , Jonkheijm Pascal 
Published: July 2016

AbstractThe modulation of the hierarchical nucleated self‐assembly of tri‐β3‐peptides has been studied. β3‐Tyrosine provided a handle to control the assembly process through host‐guest interactions with CB[7] and CB[8]. By varying the cavity size from CB[7] to CB[8] distinct phases of assembling tri‐β3‐peptides were arrested. Given the limited size of the CB[7] cavity, only one aromatic β3‐tyrosine can be simultaneously hosted and, hence, CB[7] was primarily acting as an inhibitor of self‐assembly. In strong contrast, the larger CB[8] can form a ternary complex with two aromatic amino acids and hence CB[8] was acting primarily as cross‐linker of multiple fibers and promoting the formation of larger aggregates. General insights on modulating supramolecular assembly can lead to new ways to introduce functionality in supramolecular polymers.
High‐Spin Iron(I) and Iron(0) Dinitrogen Complexes Supported by N‐Heterocyclic Carbene Ligands
Authors: Ouyang Zhenwu , Cheng Jun , Li Lingling , Bao Xiaoli , Deng Liang 
Published: July 2016

AbstractThe use of 1,3‐dicyclohexylimidazol‐2‐ylidene (ICy) as ligand has enabled the preparation of the high‐spin tetrahedral iron(I)‐ and iron(0)–N2 complexes, namely [(ICy)3Fe(N2)][BPh4] (1) and [(ICy)3Fe(N2)] (2), the electronic structures of which have been established by various spectroscopic characterization and DFT calculations. The frequency of the N–N stretching resonance of the iron(0)–N2 complex is the lowest among the reported terminal N2 complexes of iron, signifying the beneficial roles of strongly σ‐donating ligands in combination with the high‐spin low‐valent iron center in promoting N2‐activation. The iron(0)–N2 complex can convert reversibly to the low‐spin iron(II)‐N2 hydride complex [(ICy)2(ICy′)Fe(N2)(H)] (4).
Influence of emulsification methods and use of colloidal silicon dioxide on the microencapsulation by spray drying of turmeric oleoresin in gelatin‐starch matrices
Authors: Ferreira Sungil , Malacrida Cassia R. , Telis Vania R. N. 
Published: July 2016

AbstractMicroencapsulated turmeric oleoresin can present improved curcumin stability and be easily applied in hydrophilic systems. Most of the microencapsulation techniques rely on the initial emulsification of the core material in the wall biopolymers and this step affects the encapsulation efficiency and properties of the resulting microcapsules. The objective of this work was to evaluate the effects of different emulsification methods, the use of colloidal silicon dioxide and Tween 80 as additives, and the rheological behaviour of the encapsulating gelatin‐starch dispersions on the emulsion stability, encapsulation efficiency, and yield of turmeric oleoresin microcapsules produced by spray‐drying. The encapsulating matrices were prepared with varied concentrations of modified starch (from 0.22–0.317 g/g (22–31.7 wt%), dry basis) and gelatin (0–0.06 g/g (0–6 wt%), dry basis). The microstructure of the emulsions was evaluated through optical microscopy and small amplitude oscillatory shear rheology. The emulsification of turmeric oleoresin was performed by the following methods: high‐shear mixing, using a rotor‐stator homogenizer, with and without addition of Tween 80 as a surfactant; and by ultrasound homogenizer with and without the colloidal silicon dioxide (Aerosil 200). The homogenization method presented considerable influence on the emulsion stability and on the average droplet sizes in the emulsion. The concentration of gelatin directly affected the emulsion and microcapsule properties. Ultrasound homogenization and the use of colloidal silicon dioxide resulted in the highest encapsulation efficiency of turmeric oleoresin in the low total‐solid formulations.
The Prognostic Impact of New‐Onset Persistent Left Bundle Branch Block Following Transcatheter Aortic Valve Implantation: A Meta‐analysis
Authors: Ando Tomo , Takagi Hisato ,   for the ALICE (All‐Literature Investigation of Cardiovascular Evidence) Group
Published: July 2016

ABSTRACTNew‐onset persistent left bundle branch block (NOP‐LBBB) is one of the most common conduction disturbances after transcatheter aortic valve implantation (TAVI). We hypothesized that NOP‐LBBB may have a clinically negative impact after TAVI. To find out, we conducted a systematic literature search of the MEDLINE/PubMed and Embase databases. Observational studies that reported clinical outcomes of NOP‐LBBB patients after TAVI were included. The random‐effects model was used to combine odds ratios, risk ratios, or hazard ratios (HRs) with 95% confidence intervals. Adjusted HRs were utilized over unadjusted HRs or risk ratios when available. A total of 4049 patients (807 and 3242 patients with and without NOP‐LBBB, respectively) were included. Perioperative (in‐hospital or 30‐day) and midterm all‐cause mortality and midterm cardiovascular mortality were comparable between the groups. The NOP‐LBBB patients experienced a higher rate of permanent pacemaker implantation (HR: 2.09, 95% confidence interval: 1.12‐3.90, P = 0.021, I2 = 83%) during midterm follow‐up. We found that NOP‐LBBB after TAVI resulted in higher permanent pacemaker implantation but did not negatively affect the midterm prognosis. Therefore, careful observation during the follow‐up is required.
Substrate Fragmentation for the Design of M. tuberculosis CYP121 Inhibitors
Authors: Kavanagh Madeline E. , Gray Janine L. , Gilbert Sophie H. , Coyne Anthony G. , McLean Kirsty J. , Davis Holly J. , Munro Andrew W. , Abell Chris 
Published: July 2016

AbstractThe cyclo‐dipeptide substrates of the essential M. tuberculosis (Mtb) enzyme CYP121 were deconstructed into their component fragments and screened against the enzyme. A number of hits were identified, one of which exhibited an unexpected inhibitor‐like binding mode. The inhibitory pharmacophore was elucidated, and fragment binding affinity was rapidly improved by synthetic elaboration guided by the structures of CYP121 substrates. The resulting inhibitors have low micromolar affinity, good predicted physicochemical properties and selectivity for CYP121 over other Mtb P450s. Spectroscopic characterisation of the inhibitors′ binding mode provides insight into the effect of weak nitrogen‐donor ligands on the P450 heme, an improved understanding of factors governing CYP121–ligand recognition and speculation into the biological role of the enzyme for Mtb.
Metal Nanoparticles for Virus Detection
Authors: Park Jeong‐Eun , Kim Keunsuk , Jung Yoonjae , Kim Jae‐Ho , Nam Jwa‐Min 
Published: July 2016

AbstractViruses are small agents that can infect living creatures and cause harmful diseases. Rapid, sensitive virus detection would be beneficial for public health, and recent studies have shown that nanoparticles may have applications in virus detection. In particular, the unique properties of metal nanoparticles, originating from localized surface plasmons, allow for detection of virus through various methods. Additionally, the high surface‐to‐volume ratio and ease of surface modification of these nanoparticles provide advantages for bio‐applications. In this Focus Review, we describe currently available and recent advances in virus detection methods with metal nanoparticles. First, we outline several features of traditional virus detection methods and provide a brief explanation of metal nanoparticles. Then, we discuss solution‐based or substrate‐based virus detection according to the main operating phase of the detection elements. Finally, we evaluate the use of clinical samples for virus detection with metal nanoparticles.
Surface Charge‐Transfer Doping of Graphene Nanoflakes Containing Double‐Vacancy (5‐8‐5) and Stone–Wales (55‐77) Defects through Molecular Adsorption
Authors: Shakourian‐Fard Mehdi , Jamshidi Zahra , Kamath Ganesh 
Published: July 2016

AbstractThe adsorption of six electron donor–acceptor (D/A) organic molecules on various sizes of graphene nanoflakes (GNFs) containing two common defects, double‐vacancy (5‐8‐5) and Stone–Wales (55‐77), are investigated by means of ab initio DFT [M06‐2X(‐D3)/cc‐pVDZ]. Different D/A molecules adsorb on a defect graphene (DG) surface with binding energies (ΔEb) of about −12 to −28 kcal mol−1. The ΔEbvalues for adsorption of molecules on the Stone–Wales GNF surface are higher than those on the double vacancy GNF surface. Moreover, binding energies increase by about 10 % with an increase in surface size. The nature of cooperative weak interactions is analyzed based on quantum theory of atoms in molecules, noncovalent interactions plot, and natural bond order analyses, and the dominant interaction is compared for different molecules. Electron density population analysis is used to explain the n‐ and p‐type character of defect graphene nanoflakes (DGNFs) and also the change in electronic properties and reactivity parameters of DGNFs upon adsorption of different molecules and with increasing DGNF size. Results indicate that the HOMO–LUMO energy gap (Eg) of DGNFs decreases upon adsorption of molecules. However, by increasing the size of DGNFs, theEgand chemical hardness of all complexes decrease and the electrophilicity index increases. Furthermore, the values of the chemical potential of acceptor–DGNF complexes decrease with increasing size, whereas those of donor–DGNF complexes increase.
Cytomorphology, clinicopathologic, and cytogenetics correlation of myelomatous effusion of serous cavities: A retrospective review
Authors: Harbhajanka Aparna , Brickman Arlen , Park Ji‐Weon , Reddy Vijaya B , Bitterman Pincas , Gattuso Paolo 
Published: July 2016

BackgroundMyelomatous effusions (ME) of the serous cavities are rare. Identification of the atypical plasma cells in the body fluids may be critical for prognostic considerations.MethodsWe retrospectively reviewed clinicopathologic findings of 21 serous effusion specimens from 13 cases of ME including 10 pleural, two concurrent pleural and pericardial, and one peritoneal from 1994 to 2014.ResultAll 13 patients had bone marrow biopsy‐proven plasma cell myeloma (PCM), including one plasmablastic‐variant, one anaplastic‐variant and one plasma cell leukemia. The time between the bone marrow diagnoses to serous cavity involvement ranged from 43 days to 9 years (mean 2.6 years, median 1.8 years). Monoclonal protein types showed predominant IgA subtypes (50%) including IgA‐kappa (2), IgA‐lambda (3), IgG‐kappa (2), IgG‐lambda (1) free kappa chain (1) and free lambda chain (1) and three unknown. All 13 patients died of disease (median survival 32 days). Concurrent imaging studies showed evidence of adjacent local disease. Cytology of the serous fluids revealed abundant plasma cells with varying degrees of atypia, including large cells with increased N/Cratios, coarse chromatin, and prominent nucleoli. All were CD138 positive. Of these, Cytology confirmed malignancy in 19/21(90%) cases. Five cases were positive for kappa‐light chain and eight cases for lambda‐light chain. Cytogenetics of 3/7 cases showed normal karyotype and 4/7 cases showed complex‐karyotype. The patients with kappa light‐chain had better survival compared to lambda light‐chain (p = 0.051, log rank test).ConclusionME in PCM can present early in the natural history of the disease or very late. The preponderance of IgA‐myeloma and complex‐cytogenetics abnormalities is a noteworthy finding. Although there are different hypotheses regarding how ME develops in PCM, our finding supports the hypothesis that direct spread of PCM into serous cavities is a likely mechanism. Diagn. Cytopathol. 2016;44:742–747. © 2016 Wiley Periodicals, Inc.