bluuebunny/crossref_metadata_2025 huggingface dataset:
Capillary electrophoresis for the analysis of antidepressant drugs: A review
Authors: Abdul Keyon Aemi Syazwani , Miskam Mazidatulakmam , Ishak Nur Syazwani , Mahat Naji Arafat , Mohamed Huri Mohamad Afiq , Abdul Wahab Roswanira , Chandren Sheela , Abdul Razak Fazira Ilyana , Ng Nyuk‐Ting , Ali Timothy Gandu
Published: January 2019

Depression is a common mental disorder that may lead to major mental health problems, and antidepressant drugs have been used as a treatment of choice to mitigate symptoms of major depressive disorders by ameliorating the chemical imbalances of neurotransmitters in brain. Since abusing antidepressant drugs such as selective serotonin reuptake inhibitors and tricyclic antidepressant drugs can cause severe adverse effects, continuous toxicological monitoring of the parent compounds as well as their metabolites using numerous analytical methods appears pertinent. Among them, capillary electrophoresis has been popularly utilized since the method has a lot of advantages viz. using small amounts of sample and solvents, ease of operation, and rapid analysis. This review paper brings a survey of more than 30 papers on capillary electrophoresis of antidepressant drugs published approximately from 1999 until 2018. It focuses on the reported capillary electrophoresis techniques and their applications and challenges for determining antidepressant drugs and their metabolites. It is organized according to the commonly used capillary zone electrophoresis method, followed by non‐aqueous capillary electrophoresis and micellar electrokinetic chromatography, with details on breakthrough findings. Where available, information is given about the background electrolyte used, detector utilized, and sensitivity obtained.
A Comparison of the Behavior of Monomolecular and Dual Molecular Probes in F127/Cyclodextrin Systems
Authors: Baratoiu Rodica , Mocanu Sorin , Matei Iulia , Bem Marioara , Hristea Elena , Tecuceanu Victorita , Ionita Gabriela
Published: January 2019

Molecular probes are often used to describe local interactions and to characterize inhomogeneities in complex systems. In this study, two series of monomolecular probes (paramagnetic or fluorescent) and a series of dual molecular probes are used to evaluate local changes and the regions targeted by these probes in three pluronic F127 systems, in the absence and in the presence of 2‐hydroxypropyl‐β‐cyclodextrin, which have been previously characterized. All molecular probes used in this study have as a common structural unit the short oligoethylene chains that link (2,2,6,6‐Tetramethylpiperidin‐1‐yl)oxyl (TEMPO) and/or pyrene moieties. Using these probes, changes in hydrophobicity inside the pluronic micelles are evidenced and the micelle‐to‐gel phase transition is characterized.
Global and site‐specific analysis of protein glycosylation in complex biological systems with Mass Spectrometry
Authors: Xiao Haopeng , Sun Fangxu , Suttapitugsakul Suttipong , Wu Ronghu
Published: January 2019

Protein glycosylation is ubiquitous in biological systems and plays essential roles in many cellular events. Global and site‐specific analysis of glycoproteins in complex biological samples can advance our understanding of glycoprotein functions and cellular activities. However, it is extraordinarily challenging because of the low abundance of many glycoproteins and the heterogeneity of glycan structures. The emergence of mass spectrometry (MS)‐based proteomics has provided us an excellent opportunity to comprehensively study proteins and their modifications, including glycosylation. In this review, we first summarize major methods for glycopeptide/glycoprotein enrichment, followed by the chemical and enzymatic methods to generate a mass tag for glycosylation site identification. We next discuss the systematic and quantitative analysis of glycoprotein dynamics. Reversible protein glycosylation is dynamic, and systematic study of glycoprotein dynamics helps us gain insight into glycoprotein functions. The last part of this review focuses on the applications of MS‐based proteomics to study glycoproteins in different biological systems, including yeasts, plants, mice, human cells, and clinical samples. Intact glycopeptide analysis is also included in this section. Because of the importance of glycoproteins in complex biological systems, the field of glycoproteomics will continue to grow in the next decade. Innovative and effective MS‐based methods will exponentially advance glycoscience, and enable us to identify glycoproteins as effective biomarkers for disease detection and drug targets for disease treatment. © 2019 Wiley Periodicals, Inc. Mass Spec Rev 9999: XX–XX, 2019.
GRB7 dependent proliferation of basal‐like, HER‐2 positive human breast cancer cell lines is mediated in part by HER‐1 signaling
Authors: Luoh Shiuh‐Wen , Wagoner Wendy , Wang Xiaoyan , Hu Zhi , Lai Xinhe , Chin Koei , Sears Rosalie , Ramsey Elizabeth
Published: January 2019

GRB7 gene encodes a multi‐domain signal transduction molecule and is part of the core of the HER‐2 amplicon. GRB7 is commonly co‐amplified and overexpressed with HER‐2 in human breast cancer. This study addresses the role of GRB7 in HER‐2 positive human breast cancers resistant to HER‐2 targeted therapy. HCC1954, 21MT1, and JIMT1 are basal like HER‐2 positive breast cancer cell lines based on expression profiling. These three cell lines are resistant to trastuzumab and lapatinib treatment. Knockdown of GRB7 protein expression with siRNA transfection as well as lentiviral vector mediated shRNA over‐expression decreased the growth of HCC1954, 21MT1, and JIMT1 cells in vitro and the growth of tumor xenografts these cells formed in animal models. When assayed by ki‐67 staining and TUNEL assay, the mechanism of reduced tumor xenograft growth appeared to be distinct. Reduced proliferation and increased apoptosis were seen in 21MT1 cells, while reduced proliferation was seen in HCC1954 cells and increased apoptosis in JIMT1 cells. Phospho‐proteome profiling found HER‐1 tyrosine phosphorylation was reduced with GRB7 knock down in JIMT1 cells. Immuno‐blotting and immuno‐precipitation experiments found HER‐1 phosphorylation was reduced with GRB7 knock down in all three cell lines. HER‐1 knock down via siRNA transient transfection as well as blocking HER‐1 function with panitumumab decreased proliferation of all three cell lines in vitro. Our study finds that GRB7 has an essential growth promoting function which is mediated in part by HER‐1 activation. The potential of HER‐1 targeting in therapy resistant HER‐2 positive breast cancer merits further study.
Widely tunable single bandpass microwave photonic filter based on dual‐fiber stimulated Brillouin scattering
Authors: Yan Juanjuan , Li Liwei , Yi Xiaoke , Chew Suen X.
Published: January 2019

A new technique to achieve a single bandpass microwave photonic filter (MPF) with wide tunability based on stimulated Brillouin scattering is proposed. The MPF cascades the Brillouin frequency shifter and amplification based on a dual‐fiber structure. The experimental results present a single bandpass MPF located at 21.4 GHz with a 3‐dB bandwidth of 38 MHz and an out‐of‐band rejection ratio over 30 dB. The proposed single bandpass MPF also successfully demonstrates a wide‐band tuning over 40 GHz, which is achieved by employing a frequency shifter based on carrier suppressed single‐sideband modulation scheme in the structure.
Application of proton field‐cyclingNMRrelaxometry for studying translational diffusion in simple liquids and polymer melts
Authors: Flämig Max , Hofmann Marius , Lichtinger Anne , Rössler Ernst A.
Published: January 2019

With the availability of commercial field‐cycling relaxometers together with progress of home‐built instruments nuclear magnetic resonance relaxometry has gained new momentum as a method of investigating the dynamics in viscous liquids and polymer melts. The method provides the frequency dependence of the spin–lattice relaxation rate. In the case of protons, one distinguishes intramolecular and intermolecular relaxation pathways. Whereas the intramolecular contribution prevails at high frequencies and reflects rotational dynamics, the often ignored intermolecular relaxation contribution dominates at low‐frequency and provides access to translational dynamics. A universal low‐frequencies dispersion law holds which in pure systems allows determining the diffusion coefficient in a straightforward way. In addition, the rotational time constant is extracted from the high‐frequency relaxation contribution. This is demonstrated for simple and ionic liquids and for polymer melts.
A theoretical NMR study of polymorphism in crystal structures of azoles and benzazoles
Authors: Marín‐Luna Marta , Claramunt Rosa M. , Nieto Carla I. , Alkorta Ibon , Elguero José , Reviriego Felipe
Published: January 2019

The NMR chemical shifts of two azoles and one benzazole whose crystal structures present polymorphism have been computed using the GIPAW approach. 15N and 13C nuclei have been studied. Statistical analysis of the computed 13C and 15N chemical shifts indicates that the GIPAW chemical shifts reproduce with a high degree of accuracy those experimentally reported. This methodology can be used to identify other polymorphic crystal structures.
In situ measurement of deposit layer formation during skim milk filtration by MRI
Authors: Schork Nicolas , Schuhmann Sebastian , Nirschl Hermann , Guthausen Gisela
Published: January 2019

Filtration and separation via membranes are key processes in food processing. One major application of membrane filtration is in the dairy industry, aiming for the separation of different milk proteins. The various chemical components of milk possess different physiochemical properties and can be used most effectively in food processing if they are separately available and remain in their native state. Microfiltration of skim milk allows a fractionation of the milk proteins casein and whey by size. A deposit is formed on the membrane surface mainly but not exclusively by micellar casein proteins during filtration. Membrane pore blockage by whey proteins and fouling occur during membrane filtration, negatively affecting the yield of the whey protein fraction. Skim milk filtration and the deposit layer formation were measured time and spatially resolved by in situ magnetic resonance imaging (MRI). The nature of the fouling layer was investigated during dead‐end filtration in ceramic hollow fiber membranes. MRI was used to further clarify the influence of operating conditions on separation and filtration mechanisms that are responsible for growth of the fouling layer and its reversibility. The MRI measurements were analyzed for a detailed description of skim milk filtration by modeling the signal intensity distribution.
Calculations of 13C NMR chemical shifts and F–C coupling constants of ciprofloxacin
Authors: Koch Andreas , Stamboliyska Bistra , Mikhova Bozhana , Breznica‐Selmani Pranvera , Mladenovska Kristina , Popovski Emil
Published: January 2019

Ciprofloxacin is a widely used fluoroquinolone antibiotic. In this work, a comprehensive evaluation of MP2 and DFT with different functionals and basis sets was carried out to select the most suitable level of theory for the study of the NMR properties of ciprofloxacin. Their relative predictive capabilities were evaluated comparing the theoretically predicted and experimental spectral data. Our computational results indicated that in contrast to the solid state, the molecule of ciprofloxacin does not exist as a zwitterion in gaseous state. The results of the calculations of the chemical shifts most close to the experimental were obtained with B3LYP/aug‐cc‐pVDZ. The F–C coupling constants were calculated systematically with different DFT methods and several basis sets. In general, the calculations of the coupling constants with the BHandH computational method including the applied in this work 6‐311++G**, EPRII, and EPRIII basis sets showed a good reproducibility of the experimental values of the coupling constants.
A multiobjective topology optimization approach for cost and time minimization in additive manufacturing
Authors: Ryan Luke , Kim Il Yong
Published: January 2019

The ever‐present drive for increasingly high‐performance designs realized on shorter timelines has fostered the need for computational design generation tools such as topology optimization. However, topology optimization has always posed the challenge of generating difficult, if not impossible to manufacture designs. The recent proliferation of additive manufacturing technologies provides a solution to this challenge. The integration of these technologies undoubtedly has the potential for significant impact in the world of mechanical design and engineering. This work presents a new methodology which mathematically considers additive manufacturing cost and build time alongside the structural performance of a component during the topology optimization procedure. Two geometric factors, namely, the surface area and support volume required for the design, are found to correlate to cost and build time and are controlled through the topology optimization procedure. A novel methodology to consider each of these factors dynamically during the topology optimization procedure is presented. The methodology, based largely on the use of the spatial gradient of the density field, is developed in such a way that it does not leverage the finite element discretization scheme. This work investigates a problem that has not yet been explored in the literature: direct minimization of support material volume in density‐based topology optimization. The entire methodology is formulated in a smooth and differentiable manner, and the sensitivity expressions required by gradient based optimization solvers are presented. A series of example problems are provided to demonstrate the efficacy of the proposed methodology.
Determination of lamotrigine in human plasma using liquid chromatography‐tandem mass spectrometry
Authors: Itabashi Shogo , Bito Rina , Nishina Maika , Fukumoto Maki , Soda Midori , Doi Mitsunori , Usui Shigeyuki , Kitaichi Kiyoyuki
Published: January 2019

Aim

Lamotrigine (LTG) is a widely used anti‐epileptic drug that is administered to avoid seizures and to maintain seizure‐free status. However, several factors reportedly cause individual differences of plasma LTG levels, and the therapeutic target range of LTG varies between individuals. Thus, to optimize effective doses of LTG, we developed a rapid and simple method for determining plasma LTG concentrations.

Methods

Lamotrigine and the internal standard papaverine were extracted from human plasma using solid‐phase extraction. After filtration, 5‐μL aliquots of final samples were injected into the liquid chromatography‐tandem mass spectrometry instrument and LTG and internal standard were separated using a CadenzaCD‐C18 column (100 × 2 mm, 3 μm) with 0.1% formic acid in water/acetonitrile (2/1, v/v).

Results

The calibration curve was linear from 0.2 to 5.0 μg/mL, and assessments of recovery, intra‐ and inter‐day precision and accuracy, matrix effects, freeze and thaw stability, and long‐term stability demonstrated good reproducibility. Retention times of LTG and internal standard were 1.6 and 2.0 minutes, respectively, and the total run time was 3.5 minutes for each sample.

Conclusion

We developed a rapid and simple method for determining plasma LTG concentrations. The present novel system could be used to inform LTG dose adjustments for individual patients.
General anesthesia, conscious sedation, or nothing: Decision‐making by children during painful procedures
Authors: Maslak Karolina , Favara‐Scacco Cinzia , Barchitta Martina , Agodi Antonella , Astuto Marinella , Scalisi Rita , Italia Simona , Bellia Francesco , Bertuna Gregoria , D'Amico Salvatore , La Spina Milena , Licciardello Maria , Lo Nigro Luca , Samperi Piera , Miraglia Vito , Cannata Emanuela , Meli Mariaclaudia , Puglisi Federica , Parisi Giuseppe Fabio , Russo Giovanna , Di Cataldo Andrea
Published: January 2019

Background

Following diagnosis, children with cancer suddenly find themselves in an unknown world where unfamiliar adults make all the important decisions. Children typically experience increasing levels of anxiety with repeated invasive procedures and do not adapt to the discomfort. The aim of the present study is to explore the possibility of asking children directly about their medical support preferences during invasive procedures.

Procedure

Each patient was offered a choice of medical support on the day of the procedure, specifically general anesthesia (GA), conscious sedation (CS), or nothing. An ad hoc assessment tool was prepared in order to measure child discomfort before, during, and after each procedure, and caregiver adequacy was measured. Both instruments were completed at each procedure by the attending psychologist.

Results

We monitored 247 consecutive invasive procedures in 85 children and found that children in the 4 to 7 year age group showed significantly higher distress levels. GA was chosen 66 times (26.7%), CS was chosen 97 times (39.3%), and nothing was chosen 5 times and exclusively by adolescents. The child did not choose in 79 procedures (32%). The selection of medical support differed between age groups and distress level was reduced at succeeding procedures.

Conclusions

Offering children the choice of medical support during invasive procedures allows for tailored support based on individual needs and is an effective modality to return active control to young patients, limiting the emotional trauma of cancer and treatment.
(E)‐3‐X‐indoline‐2‐ones as potent and selective inhibitors against different receptor tyrosine kinase (RTKs) in solution vs gas phase, at DFT
Authors: Soleimani‐Amiri S. , Koohi M.
Published: January 2019

Using DFT SCRF calculations, we have evaluated the solvent effects on the structure, stability, and electronic properties of biologically active compounds as (E)‐3‐X‐indoline‐2‐one derivatives (X = phenyl, furan‐2‐yl, 1H‐pyrrol‐2‐yl, and thiophen‐2‐yl, I‐IV, respectively) in six solvents. These solvents differ in their polarity with the dielectric constants varying from 2.2 to 78.5 including benzene, C2H4Cl2, EtOH, H2O, nitromethane, and DMSO. Moreover, two of them have a hydrogen‐bond donor character. All possible hydrogen‐bonding in the water solution with oxygen and nitrogen atoms as hydrogen‐acceptor centers in indoline‐2‐ones derivatives, I‐IV, have been considered in our studies. The stability of each solute (I‐IV) depends on the dielectric constant of the solvent and the possibility of the hydrogen bonding. Moreover, the highest observed solvent‐gas phase energy gaps (∆Es‐g) relate to structure III in water, whereas the lowest ∆Es‐g is associated with II in benzene. Thus, III is the most solvent sensitive and enjoys maximum stabilization in water. On the other extreme, II is the least solvent sensitive, and its stability is the least affected by salvation in benzene. Forbidden concerted [1,6] and [1,3]‐H shift mechanisms are suggested for the ketone III―III′, III′′ enole tautomerizations in gas phase, while allowed step‐by‐step [1,6] and [1,3]‐H shifts are proposed for tautomerization in water.
Inhibitory effect of non‐thermal plasma synergistic Tegafur on pancreatic tumor cell line BxPc‐3 proliferation
Authors: Chang Zhengshi , Li Guoqiang , Liu Jinren , Xu Dehui , Shi Xingmin , Zhang Guanjun
Published: January 2019

In this paper, a glow‐like helium atmospheric pressure plasma jet is combined with clinical antitumor drug‐Tegafur‐ to treat pancreatic tumor cells in vitro. The results reveal that they have a synergistic effect on inhibiting the proliferation of tumor cells when the plasma is applied before the drug, but the antagonism between drug and plasma meets in the other case. The results are hopeful to promote the application of the plasma combining the drugs in clinic therapy for cancer.
Extending the human capital model of migration: The role of risk, place, and social capital in the migration decision
Authors: Clark William A.V. , Lisowski William
Published: January 2019

Migration is both an economic and an emotional decision; it breaks ties and requires a fundamental commitment to changed workplaces, new social networks and relationships, and new residential environments. Although economic returns matter in the decision to move, it is clear from survey studies that many moves are more complex than those built around market incentives alone. To explore the decision‐making underlying mobility and to evaluate why some decisions are deferred, we explore the ideas of prospect theory, endowment effects, and social capital as new ways to understand the decision‐making process about migrating. Often, the focus on migration passes over the associated and important question of when and why individuals and families do not move. By considering the intersecting roles of risk aversion, place attachment, and social capital, we can use these ideas to model the decision to move and show that both endowment and social capital play important roles in the migratory decision. Our findings extend previous research by incorporating both endowment and social capital in the models of migration.
In Situ Infrared Spectroscopic Monitoring and Characterization of the Growth of Polydopamine (PDA) Films
Authors: Sun Guoguang , Zu Fengshuo , Koch Norbert , Rappich Jörg , Hinrichs Karsten
Published: January 2019

Modern infrared (IR) spectroscopic methods as in situ IR spectroscopic ellipsometry (in situ IRSE) and the photothermal atomic force microscopy (AFM)‐IR technique are introduced as novel analysis methods for characterization of polydopamine (PDA) films. The visible (VIS) and IR ellipsometric studies serve for determination of thicknesses, IR optical constants and discussion of specific vibrational bands. The in situ IR ellipsometric studies (IRSE) of the thin film growth of polydopamine (PDA), a versatile material for bioactive surfaces, in tris(hydroxymethyl)aminomethane (Tris) buffer solution are used to monitor the time‐dependent growth process of a PDA film. Complementary methods as X‐ray photoelectron spectroscopy (XPS) and the nanoscale photothermal AFM‐IR technique give access to study chemical homogeneity of the probed spots. All of the results are in qualitative agreement and show up new analysis possibilities, even further work is required to resolve the open questions of the chemical structure of PDA films. As proof of principle reaction for biosensor applications the binding of thiol‐terminated molecules to the PDA film via Michael‐addition was investigated by in situ IRSE.
Synthesis, Antitubercular and Antimicrobial Activity of 1,2,4‐Triazolidine‐3‐thione Functionalized Coumarin and Phenyl Derivatives and Molecular Docking Studies
Authors: Shaikh Farzanabi , Shastri Samundeeswari L. , Naik Nirmala S. , Kulkarni Rashmi , Madar Jyoti M. , Shastri Lokesh A. , Joshi Shrinivas D. , Sunagar Vinay
Published: January 2019

Tuberculosis (TB) is still a demanding worldwide health problem and mycobacterium tuberculosis (MTB) remains one of the most toxic human pathogens. In pursuit of searching new antitubercular and antimicrobial agents, substituted coumarin and phenyl‐1,2,4‐triazolidine‐3‐thiones 4a‐i and 5a‐e have been synthesized and evaluated for their antitubercular and antimicrobial activities. Most of the Substituted coumarin and phenyl‐1,2,4‐triazolidine‐3‐thiones showed promising activity against Mycobacterium tuberculosis (H37Rv). The title compounds have exhibited excellent in vitro antibacterial activity against the S.aureus, Bacillus sps and E.coli with the values of low MIC ranging from of 0.4 to 1.6 μg/mL. In vitro antifungal activity shown that the compounds 4a‐i and 5a‐e are excellent antifungal agents against Candida albicans, Aspergillus flavus, Aspergillus niger and Aspergillus fumigate fungal stains with the values of low minimum inhibitory concentrations (MIC) ranging from 0.4 to 6.25 μg/mL. Molecular docking study was performed for all the synthesized compounds with E.coli as antibacterial and Mycobacterium tuberculosis DprE1 as antituberculosis.
Ultrasonication‐Assisted Synthesis of 3‐Substituted Indoles in Water Using Polymer Grafted ZnO Nanoparticles as Eco‐Friendly Catalyst
Authors: Shaikh Tauhid , Sharma Anuj , Kaur Harjinder
Published: January 2019

Indole based heterocyclic molecules are important and valuable structural unit that are present in various biologically active natural products, pharmaceuticals and agrochemicals. In this paper, zinc oxide nanoparticles were explored as catalyst for the synthesis of 3‐substituted indoles in water via ultra‐sonication. The stability of ZnO nanoparticles and their dispersion in water was enhanced by grafting it with a biodegradable polymer (poly lactic acid). The proposed methodology is capable of providing desired products in good yield (83‐97%) and 25 derivatives of indoles were synthesized. The green reaction metrics such as E‐factor (0.16) and atom economy (97%) show that the present protocol is sustainable and economical. Also, the reactions were carried out in water under environmentally benign conditions that avoids use of any additives or hazardous solvents.
Extensive Study of Rhodanine‐Arylamine‐Based Chromophores: Consolidated Optical, DFT/TD‐DFT and Non‐Linear Optical Properties
Authors: Avhad Kiran C. , Patil Dinesh S. , Chitrambalam Subramaniyan , Sreenath Mavila C. , Joe Issac H. , Sekar Nagaiyan
Published: January 2019

Three push‐pull rhodanine‐arylamine based D‐π‐A dyes (2a‐2c) are prepared to study the effect of donor on electronic, linear and nonlinear optical properties. The dyes, 2a,2b and 2c have a vinyl spacer conjugated with triphenylamine, julolidine, and carbazole donors respectively, with a methoxy group and rhodanine‐3‐acetic acid. The dyes exhibited solvent dependent absorption‐emission up to the red region with large Stokes shifts (2a = 77‐130 nm). This dyes possess charge transfer characteristics as established by transition dipole moment (μeg), dipole moment ratio (μe/μg), Generalised Mulliken‐Hush analysis, and electron distribution (DFT). The non‐linear optical study revealed that quadratic hyperpolarizability (μβCT) are 1098.9 (2a), 515.0 (2b) and 339.6 x 10‐48 e.s.u. (2c) depending on donor strength. The intrinsic hyperpolarizabilities fall below
limit i.e. less than unity. Solvatochromic two‐level model is used to study the trends in two photon cross‐section (σ2PA). Solvatochromic two‐level model is used to study the trends in two photon absorption cross‐section (σ2PA). The dye 2a exhibited high σ2PA, 216 GM (λmax 485 nm and 564 nm). The dyes 2a and 2c with analogue dye 3a show reverse saturable absorption (RSA) therefore, show positive third order nonlinear absorption coefficient, β and reasonable values of third order nonlinear susceptibility and high laser damage threshold. The Re χ(3) factors are responsible for the high values of χ(3) in the range of 0.77 to 8.09 x 10‐12 e.s.u. Therefore, this material would serve as good candidate in the photonic application.
Photophysical Properties of Phthalimide and Pyromellitic Diimide Tethered Imidazolium Nitrophenolate Salts
Authors: Singh Munendra Pal , Baruah Jubaraj B.
Published: January 2019

Structural aspects of the salt of 2‐(3‐(1H‐imidazol‐1‐yl)propyl)isoindoline‐1,3‐dione (L1) with 2,4,6‐trinitrophenol as well as the salts of N,N′‐bis(3‐imidazol‐1‐yl‐propyl)‐pyromelliticdiimide (L2) with 2,4‐dinitrophenol (H24dnp) and 2,4,6‐trinitrophenol (H246tnp) are reported along with the solid and solution studies on the photophysical properties of these salts. The fluorescence emission of the L1 and L2 are quenched by H24dnp and H246tnp both in solid and in solution. In solution the L1 has comparable binding constant with H24dnp and H246tnp but the relative ability to quench the fluorescence emission of L1 by H24dnp is less than the quenching abilities of the H246tnp. These two nitrophenols independently do not distinguish the L1 from L2 but the extent of quenching caused independently by the H24dnp or H246tnp on L1 or L2 make them easily distinguishable. Addition of water quenches the fluorescence emission of L1 and L2; but the addition of water to solution of the nitrophenolate salts result in the recovery of fluorescence emissions from the quenched states. The salts in solid state have short emission life‐times. The PET effect prominently caused by mineral acids on L1 or L2 is not observed in the nitrophenolate salts. In solid state the O‐π interactions contributed to stacking of the aromatic in the 2,4,6‐trinitrophenolate salt of L2, hence it is non‐fluorescent.
Cluster‐like Co4N embedded into carbon sphere as an efficient, magnetic‐separated catalyst for catalytic hydrogenation
Authors: Yin Tingwen , Ma Ruyun , Gu Ying , Wu Aiping , Zhou Xiaoguang , Tian Chungui
Published: January 2019

The transition metal nitrides are promising catalyst in catalytic fields. The decrease of particle size is favourable to improve the catalytic ability, but its synthesis remains a challenge due to high calcination temperature in the synthesis. Here, we have reported the designed synthesis of cluster‐like Co4N paticles (NPs) uniformly embedded in N‐doped carbon microsphere (Co4N@NC) by controllable nitridation of a spherical Co‐HQ−S composed of Co2+ and 8‐hydroxy quinoline (8‐HQ), and its used as efficient hydrogenation catalyst. The Co4N have less size about 3 nm benefited the confined effect of carbon matrix. The small size is favorable to develop the catalytic ability of Co4N and a protection by carbon can enhance its stability. The test indicated that Co4N/NC can act effective catalysts for the hydrogenation by taking the conversion of 4‐nitrophenol (4‐NP) to 4‐aminophenol (4‐AP) as model. The rate constant of 4‐NP conversion is 1.14 min−1 at 25 °C (5 mg of catalyst), much higher than many non‐noble metal catalyst and even comparable to noble metal catalysts. The Co4N/NC can be easily separated by a external magnet with good reuse performance. Importantly, the catalytic ability can be further enhanced by slight increase of the dose of catalyst, and/or reaction temperature. The combination of magnetic property and good catalytic ability makes the Co4N/NC large promising in catalytic fields.
Design and Synthesis of Novel Pyrimidine/Hexahydroquinazoline‐Fused Pyrazolo[3,4‐b]Pyridine Derivatives, Their Biological Evaluation and Docking Studies#
Authors: Pradeep Mahajan Anuja , Kumar Nagiri Ravi , Swaroop Desireddy Krishna , Reddy Narra Srikanth , Sirisha Kanugala , Kumar Chityal Ganesh , Babu Nanubolu Jagadeesh , Ganapathi Thipparapu , Narsaiah Banda
Published: January 2019

Multicomponent reaction protocol has been developed for the synthesis of novel pyrimidine fused pyrazolo[3,4‐b]pyridine derivatives (7 a‐g) and hexahydroquinazoline fused pyrazolo[3,4‐b] pyridine derivatives (8 a‐i) starting from 3‐amino‐5‐carbethoxy‐6‐trifluoromethyl pyrazolo[3,4‐b] pyridine 5. All the synthesized compounds were evaluated for antibacterial as well as antifungal activities and compounds 7 f, 8 a, 8 c and 8 d exhibited promising antibacterial activity. In particular, compound 2,4,6‐trifluoro substituted pyrimidine fused pyrazolo[3,4‐b]pyridine (7 f) showed very good antibacterial activity against the panel of both Gram‐positive and ‐negative bacterial strains. Hexahydroquinazoline fused pyrazolo[3,4‐b]pyridine derivatives (8 f‐i) also showed promising antifungal activity and broad‐spectrum anti‐biofilm activity against both Gram‐positive and negative bacterial strains. The crystal structure of compound 8 b was solved based on single crystal X‐ray diffraction study. Docking studies were performed to identify the interactions of the compounds 7 f with crtM enzyme of Staphylococcus aureus.
Ultrasonic Methylation of Triethylammonium Thiolate as a Key Strategy for Synthesis of Tetrahydropyrazine‐Containing 2‐Oxindole Scaffold
Authors: Alizadeh Abdolali , Rezaiyehraad Reza , Halvagar Mohammadreza
Published: January 2019

This study reports an efficient synthesis of 3‐(5,6‐dihydropyrazinyliden)‐1H‐indol‐2‐ones via one‐pot, two step procedure between triethylammonium thiolates, methyl iodide and ethylenediamine in DMF (dimethylformamide) under ultrasound irradiation. Short reaction time and a simple procedure are among the benefits of this reaction.
A Straightforward Metal‐Free and Mild Base Promoted Amidation and Transesterification via Acyl C‐O bond Cleavage‐An Expedite Synthesis of Aromatic Amides and Esters
Authors: Karthik Shanmugam , Sreedharan Ramdas , Gandhi Thirumanavelan
Published: January 2019

A straight‐forward and practical metal‐free amidation and transesterification of esters have been exemplified in this protocol. This strategic reaction features mild bases and devoid of additives at a reasonable temperature (55 °C). The wide range of amines including aromatic amines, was successfully subjected to amidation that supplements the scope exploration. Likewise, various transesterification products from alcohols were realized under this optimized condition.
The Direct Conversion of Cellulose into 5‐Hydroxymethylfurfural with CrCl3 Composite Catalyst in Ionic Liquid under Mild Conditions
Authors: Leng Erwei , Mao Ming , Peng Yang , Li Xiaomin , Gong Xun , Zhang Yang
Published: January 2019

Direct transformation of cellulose (PH101: DP∼200) into 5‐hydroxymethylfurfural (HMF) was investigated using the single CrCl3 or the combination of metal chlorides (CrCl3 with AlCl3, FeCl3, SnCl4, MnCl4, and CuCl2) in ionic liquid [Bmim]Cl under oil‐bath heating. As a result, a novel co‐catalysis CrCl3‐AlCl3 was determined to be the most efficient catalyst for the production of HMF. Compared with single CrCl3, the reaction time with CrCl3‐AlCl3 was reduced by nearly 1/3 when a similar HMF yield (58.3%) was obtained at 120 °C. Additionally, the catalytic mechanism of CrCl3‐AlCl3 was discussed. Furthermore, when celluloses with higher polymerization degree (filter paper: DP∼1500 and cotton: DP∼1950) were used, exceedingly higher yields of HMF (54.7% for filter paper and 59.5% for cotton) were obtained compared with previous work. This important result strongly indicates the general applicability of CrCl3‐AlCl3 for various kinds of natural cellulose with a huge range of DP.
Catalytic Hydrogenation of Nitrophenols by Cubic and Hexagonal Phase Unsupported Ni Nanocrystals
Authors: Zhang Caihua , Yang Jing , Liu Ying , Li Yafei , Dai Zhihui , Han Min , Bao Jianchun
Published: January 2019

The catalytic hydrogenation of nitrophenols to aminophenols by diverse catalysts has attracted much attention owing to its potential applications in wastewater purification, fine chemicals and pharmaceutical fields. Though great progress has been achieved, the catalytic hydrogenation of nitrophenols by different crystal phase structured Ni nanocrystals (NCs) has not been investigated until now. Here, the face centered cubic (fcc) Ni and hexagonal close packed (hcp) Ni NCs are controllably synthesized, and employed as the catalysts for hydrogenation of nitrophenols at ambient pressure by using NaBH4 as the hydrogen carrier. The experimental results reveal that both fcc and hcp Ni NCs can catalyze hydrogenation of nitrophenols to related aminophenols. But the hcp Ni NCs exhibit much higher catalytic activity than fcc Ni NCs no matter which nitrophenols is used. Moreover, both hcp and fcc Ni NCs can be recycled at least ten times without obvious loss of activity, showing an exceptional durability that comparable or even superior to supported Ni catalysts. Deduced from the kinetics and XPS analyses, the higher catalytic activity of hcp Ni NCs is attributed to the more richness of active sites on their surfaces in relative to that of fcc Ni NCs. This work may shed some light on design and development of advanced hydrogenation catalysts based on crystal phase engineering.
A Novel Route to Substituted 2‐(N‐Arylamino)benzothiazoles via Iron‐Promoted C‐S Bond Formation
Authors: Pinapati Srinivasa rao , Mandapati Usha rani , Tamminana Ramana , Rudraraju Ramesh raju
Published: January 2019

The synthesis of 2‐aminobenzothiazoles has been demonstrated in the presence of transition metal under mild reaction conditions. In this paper, disubstituted thioureas have also been reported from isothiocyanates at room temperature. Subsequently, C−S cross‐coupling reaction was described for the construction of benzothiazoles using cheap, readily available and air stable Iron catalyst. Moreover, no other byproducts could be observed except target products. Furthermore, control experiments were performed for reveal the mechanism. In addition, a broad range of substrate scope has been explored.
Enhancement in Guest Molecule Incorporation into Lipid Membranes in the Presence of Zinc‐Porphyrin Anchor Molecules
Authors: Goto Yuya , Sugikawa Kouta , Ikeda Atsushi
Published: January 2019

Bipyridines with an octanol–water partition coefficient <1.9 were previously found to leak out of lipid membranes because of their hydrophilicity. However, we herein report that the addition of zinc‐porphyrin anchor molecules to the lipid resulted in reduced leakage percentages for both 3,3′‐bipyridine and 4,4′‐bipyridine due to the formation of coordination bonds between the pyridyl nitrogen atoms in the bipyridine molecules and the zinc(II) center in the zinc‐porphyrin moiety. In contrast, due to the general lack of interactions between 2,2′‐bipyridine and the zinc‐porphyrin, the leakage percentage of 2,2′‐bipyridine did not change upon the addition of zinc‐porphyrin to the lipid membranes.
Copper‐Catalyzed One‐Pot Synthesis of Pyrrolo[1,2‐a]quinoxaline Derivatives from 1‐(2‐Aminophenyl)‐pyrroles and Aldehydes
Authors: Krishna Thalishetti , Reddy Thatikonda Narendar , Laxminarayana Eppakayala , Kalita Dipak
Published: January 2019

A facile and highly efficient copper‐catalyzed strategy has been developed for the synthesis of pyrrolo[1,2‐a]quinoxalines from 1‐(2‐aminophenyl)‐pyrroles and aldehydes at room temperature. This reaction proceeds via imine formation, cyclisation, and oxidation in one‐pot. This strategy provides a facile and rapid access to pyrrolo[1,2‐a]quinoxalines in good to high yields under mild conditions. This process has several advantages, such as simple reaction procedure, readily available starting materials, low catalyst loading, easy product isolation, broad substrate scope, high functional group tolerance, and gram‐scale synthesis.
Global Proteomic and Methylome Analysis in Human Induced Pluripotent Stem Cells Reveals Overexpression of a Human TLR3 Affecting Proper Innate Immune Response Signaling
Authors: Requena Jordi , Alvarez-Palomo Ana Belen , Codina-Pascual Montserrat , Delgado-Morales Raul , Moran Sebastian , Esteller Manel , Sal Martí , Juan Manel , Boronat Barado Anna , Consiglio Antonella , Bogle Orleigh Addeleccia , Wolvetang Ernst , Ovchinnikov Dmitry , Alvarez Inaki , Jaraquemada Dolores , Mezquita-Pla Jovita , Oliva Rafael , Edel Michael J.
Published: January 2019

When considering the clinical applications of autologous cell replacement therapy of human induced pluripotent stem cells (iPSC)-derived cells, there is a clear need to better understand what the immune response will be before we embark on extensive clinical trials to treat or model human disease. We performed a detailed assessment comparing human fibroblast cell lines (termed F1) reprogrammed into human iPSC and subsequently differentiated back to fibroblast cells (termed F2) or other human iPSC-derived cells including neural stem cells (NSC) made from either retroviral, episomal, or synthetic mRNA cell reprogramming methods. Global proteomic analysis reveals the main differences in signal transduction and immune cell protein expression between F1 and F2 cells, implicating wild type (WT) toll like receptor protein 3 (TLR3). Furthermore, global methylome analysis identified an isoform of the human TLR3 gene that is not epigenetically reset correctly upon differentiation to F2 cells resulting in a hypomethylated transcription start site in the TLR3 isoform promoter and overexpression in most human iPSC-derived cells not seen in normal human tissue. The human TLR3 isoform in human iPSC-NSC functions to suppress NF-KB p65 signaling pathway in response to virus (Poly IC), suggesting suppressed immunity of iPSC-derived cells to viral infection. The sustained WT TLR3 and TLR3 isoform overexpression is central to understanding the altered immunogenicity of human iPSC-derived cells calling for screening of human iPSC-derived cells for TLR3 expression levels before applications. Stem Cells  2019;37:476–488
A review of literature and code requirements for the crack width limitations for design of concrete structures in serviceability limit states
Authors: Basteskår Mikael , Engen Morten , Kanstad Terje , Fosså Kjell T.
Published: January 2019

This paper includes a critical review of the literature related to design of reinforced concrete structures in the serviceability limit state (SLS), and attempts to tie the results to code requirements. The main attention is given to the so‐called controllable cracks, defined as cracks due to imposed loads or deformations on hardened concrete or restrained volume changes in young hardening concrete that a structural engineer has the knowledge and tools to predict and control. It is suggested that more consistent procedures are introduced into the future SLS‐design. It is found necessary to more clearly distinguish the crack width requirements for aesthetic reasons from durability and tightness reasons, and clarify the use of the term durability in the code text. The research leading up to current leakage prediction formulas and tightness formulas is questioned based on the literature review. It is discussed that a differentiation of the crack width through a cross section will facilitate a more consistent treatment and limitation of crack widths.
Ninjin'yoeito for symptoms of frailty: Successful treatment of three cases
Authors: Kimura Yoko , Ito Takashi
Published: January 2019

Cases

Patient 1 was an 81‐year‐old patient with general fatigue. Patient 2 was a 56‐year‐old patient who felt cold, with general fatigue and dry cough, after operation for lung cancer; and patient 3 was a 55‐year‐old woman with interstitial pneumonia after breast cancer treatment, who reported feeling cold, with general fatigue and a tendency to catch colds.

Outcome

Patient 1’s cognition and dry skin were improved by changing hachimigan and hochuekkito to ninjin'yoeito; patients 2 and 3 were effectively treated with ninjin'yoeito. The symptoms of these patients were consistent with frailty. In the five viscera theory, symptoms of lumbago, physical weakness, and cognitive decline are caused by impaired kidney function, while digestive problems involve spleen function. Respiratory symptoms and dry skin are signs of disorder in lung function. Improvement of qi deficiency, which causes a feeling of general fatigue, can address all these symptoms.

Conclusion

Ninjin'yoeito was useful to treat various symptoms of frailty due to age or severe disease.
Promises and risks of nonstate action in climate and sustainability governance
Authors: Chan Sander , Boran Idil , van Asselt Harro , Iacobuta Gabriela , Niles Navam , Rietig Katharine , Scobie Michelle , Bansard Jennifer S. , Delgado Pugley Deborah , Delina Laurence L. , Eichhorn Friederike , Ellinger Paula , Enechi Okechukwu , Hale Thomas , Hermwille Lukas , Hickmann Thomas , Honegger Matthias , Hurtado Epstein Andrea , La Hoz Theuer Stephanie , Mizo Robert , Sun Yixian , Toussaint Patrick , Wambugu Geoffrey
Published: January 2019

Sustainable Development Goals and the Paris Agreement stand as milestone diplomatic achievements. However, immense discrepancies between political commitments and governmental action remain. Combined national climate commitments fall far short of the Paris Agreement's 1.5/2°C targets. Similar political ambition gaps persist across various areas of sustainable development. Many therefore argue that actions by nonstate actors, such as businesses and investors, cities and regions, and nongovernmental organizations (NGOs), are crucial. These voices have resonated across the United Nations (UN) system, leading to growing recognition, promotion, and mobilization of such actions in ever greater numbers. This article investigates optimistic arguments about nonstate engagement, namely: (a) “the more the better”; (b) “everybody wins”; (c) “everyone does their part”; and (d) “more brings more.” However, these optimistic arguments may not be matched in practice due to governance risks. The current emphasis on quantifiable impacts may lead to the under‐appreciation of variegated social, economic, and environmental impacts. Claims that everybody stands to benefit may easily be contradicted by outcomes that are not in line with priorities and needs in developing countries. Despite the seeming depoliticization of the role of nonstate actors in implementation, actions may still lead to politically contentious outcomes. Finally, nonstate climate and sustainability actions may not be self‐reinforcing but may heavily depend on supporting mechanisms. The article concludes with governance risk‐reduction strategies that can be combined to maximize nonstate potential in sustainable and climate‐resilient transformations.

This article is categorized under:

Policy and Governance > Multilevel and Transnational Climate Change Governance
CISDA: Changes in Integration for Social Decisions in Aging
Authors: Frazier Ian , Lighthall Nichole R. , Horta Marilyn , Perez Eliany , Ebner Natalie C.
Published: January 2019

The aging of our population has been accompanied by increasing concerns about older adults' vulnerability to violations of trust and a growing interest in normative age‐related changes to decision making involving social partners. This intersection has spurred research on age‐related neurocognitive and affective changes underlying social decision making. Based on our review and synthesis of this literature, we propose a specification that targets social decision making in aging to the recently proposed Affect‐Integration‐Motivation (AIM) framework. Our framework specification, Changes in Integration for Social Decisions in Aging (CISDA), emphasizes three key components of value integration with particular relevance for social decisions in aging: theory of mind, emotion regulation, and memory for past experience. CISDA builds on converging research from economic decision making, cognitive neuroscience, and lifespan development to outline how age‐related changes to neurocognition and behavior impact social decision making. We conclude with recommendations for future research based on CISDA's predictions, including implications for the development of interventions to enhance social decision outcomes in older adults.

This article is categorized under:

Economics > Individual Decision Making

Psychology > Reasoning and Decision Making

Psychology > Development and Aging

Neuroscience > Cognition
Modelling diffusion induced swelling behaviour of natural rubber in an organic liquid
Authors: Neff Frank , Lion Alexander , Johlitz Michael
Published: January 2019

Liquid uptake of polymers, especially of elastomers, is associated with swelling. The swelling process is induced by diffusion and causes stresses, which interact with the diffusion again. Thus, swelling is a coupled phenomenon of mechanical behaviour and mass transport. This coupling is the focus of this paper, in which the mechanical behaviour is modelled hyperelastic for large deformations and an access for the mass transport is used with a generalised form of the chemical potential. The material behaviour of a swelling elastomer is investigated by experiments referring to the equilibrium state, when the liquid concentration in the elastomer reached a saturation level. Furthermore, swelling depends on the externally applied stress. Therefore, a continuum mechanical model is proposed with an approach of the Helmholtz free energy density. This model is implemented in a finite element software. Finally, simulation results are discussed for different boundary conditions.