bluuebunny/crossref_metadata_2025 huggingface dataset:
Designing chemical analogs to PbTe with intrinsic high band degeneracy and low lattice thermal conductivity
Authors: He Jiangang , Xia Yi , Naghavi S. Shahab , Ozoliņš Vidvuds , Wolverton Chris
Published: February 2019

High-efficiency thermoelectric materials require simultaneously high power factors and low thermal conductivities. Aligning band extrema to achieve high band degeneracy, as realized in PbTe, is one of the most efficient approaches to enhance power factor. However, this approach usually relies on band structure engineering, e.g., via chemical doping or strain. By employing first-principles methods with explicit computation of phonon and carrier lifetimes, here we show two full-Heusler compounds Li2TlBi and Li2InBi have exceptionally high power factors and low lattice thermal conductivities at room temperature. The expanded rock-salt sublattice of these compounds shifts the valence band maximum to the middle of the Σ line, increasing the band degeneracy by a factor of three. Meanwhile, resonant bonding in the PbTe-like sublattice and soft Tl–Bi (In–Bi) bonding interaction is responsible for intrinsic low lattice thermal conductivities. Our results present an alternative strategy of designing high performance thermoelectric materials.
Significance of baseline neutrophil-to-lymphocyte ratio for progression-free survival of patients with HER2-positive breast cancer treated with trastuzumab emtansine
Authors: Imamura Michiko , Morimoto Takashi , Egawa Chiyomi , Fukui Reiko , Bun Ayako , Ozawa Hiromi , Miyagawa Yoshimasa , Fujimoto Yukie , Higuchi Tomoko , Miyoshi Yasuo
Published: February 2019

The efficacy of trastuzumab emtansine (T-DM1) is prolonged for some patients; however, the predictive factors remain unknown. We focused on a peripheral blood biomarker, the neutrophil-to-lymphocyte ratio (NLR), regarding T-DM1 treatment efficacy. Fifty-three advanced or metastatic breast cancers treated with T-DM1 were retrospectively recruited from three institutes. The NLR in the peripheral blood was measured at baseline and after one cycle. The cutoff value of the NLR was set at median value 2.56. The progression-free survival (PFS) of patients with NLR-low at baseline (n = 26; median, not reached) was significantly better than that of patients with NLR-high (n = 27; median, 4.13 months; hazard ratio [HR], 0.226; 95% confidence interval [CI], 0.112–0.493; p = 0.0001). Longer overall survival was significantly associated with a low NLR (HR, 0.384; 95% CI, 0.170–0.910; p = 0.0296). In the subgroup analysis, patients with NLR-low consistently had longer PFS compared to those with NLR-high irrespective of the number of prior chemotherapy regimens, prior trastuzumab, visceral metastasis, estrogen receptor status, and human epidermal growth factor receptor 2 (HER2) score. Although detailed mechanisms remain unknown, treatment efficacy of T-DM1 may be partly mediated by activation of the immune system. Low baseline NLR appears to be beneficial for treatment with T-DM1 in HER2-positive breast cancers.
Materials Selection and Mechanism of Non-linear Conduction in Chalcogenide Selector Devices
Authors: Li Huanglong , Robertson John
Published: February 2019

The electronic structure and conduction mechanism of chalcogenide-based Ovonic threshold switches (OTS) used as selectors in cross-point memory arrays is derived from density functional calculations and quasi-Fermi level models. The switching mechanism in OTS is primarily electronic. This uses a specific electronic structure, with a wide tail of localized states below the conduction band edge. In amorphous GeSe2−x the conduction band consists of Ge-Se σ*states with a low effective mass, and with a broad tail of localized Ge-Ge σ* states below this band edge. This leads to the OTS behavior. At high fields the electron quasi-EF moves up through these tail states, lowering the conductivity activation energy, and giving the non-linear switching process. The 4:2 coordinated GeSe2−x based alloys are the most favorable OTS material because they have the correct network connectivity to give a high electron mobility and lack of crystallization, a favorable band structure to produce the non-linear conduction, an optimum band gap, and with nitrogen or carbon alloying, a sufficiently low off-current.
Evaluation of vascular pain in patients with colorectal cancer receiving peripheral venous chemotherapy with or without oxaliplatin
Authors: Matsuoka Taisuke , Yoshida Yoichiro , Aisu Naoya , Yamada Teppei , Mogi Ai , Komono Akira , Sakamoto Ryohei , Kojima Daibo , Yoshimatsu Gumpei , Kiyomi Fumiaki , Kodama Shohta , Hasegawa Suguru
Published: February 2019

Oxaliplatin is a key chemotherapy drug in patients with colorectal cancer. Administration of oxaliplatin via a peripheral vein often causes vascular pain. However, no studies have evaluated vascular pain in patients with colorectal cancer in relation to peripheral venous administration of chemotherapy with or without oxaliplatin. We evaluated oxaliplatin-induced vascular pain using subjective and objective methods. We determined if oxaliplatin induced vascular pain in patients with colorectal cancer using a Visual Analog Scale (VAS) and a PainVision PS-2100 device. We compared VAS score between chemotherapy regimens with or without oxaliplatin, and between genders. We also examined the correlations of VAS score with pain intensity examined by the PainVision PS-2100, and with age and vessel diameter. A total of 98 patients with colorectal cancer were enrolled in this study, including 78 patients who received oxaliplatin via peripheral venous administration and 20 who received chemotherapy without oxaliplatin. The median VAS scores in patients with and without oxaliplatin were 36.5 (interquartile range 9.0–60.0) and 0 (0–4.0), respectively (P < 0.001), and the median pain intensities according to PainVision were 43.5 (14.3–98) and 36.5 (9.3–58.5), respectively (P < 0.001). There was a positive correlation between VAS and pain intensity (r = 0.584), but no correlation between VAS score and age (r = −0.174) or vessel diameter (r = −0.107). Peripheral venous administration of oxaliplatin induced vascular pain, measured both subjectively and objectively, in patients with colorectal cancer, regardless of vessel diameter.
Endocan as a marker of microvascular inflammation in kidney transplant recipients
Authors: Lee Yu Ho , Kim Se-Yun , Moon Haena , Seo Jung-Woo , Kim Dong-Jin , Park Seon Hwa , Kim Yang-Gyun , Moon Ju-Young , Kim Jin Sug , Jeong Kyung-Hwan , Lim Sung-Jig , Kim Chan-Duck , Park Jae Berm , Chung Byung Ha , Kim Yeong Hoon , Yang Jaeseok , Yang Hyung-In , Kim Kyoung Soo , Lee Sang-Ho
Published: February 2019

Endocan is a water-soluble proteoglycan exclusively secreted by vascular endothelium. Endocan levels may be elevated in kidney transplant recipients experiencing antibody-mediated rejection (ABMR), which is characterized by vascular inflammation in transplanted kidney. We evaluated the clinical relevance of endocan as markers of microvascular inflammation in patients who underwent kidney transplantation. Plasma and urinary endocan levels were measured in 203 kidney transplant recipients and were compared across different etiologies of allograft dysfunction and various pathologic scores. Both plasma and urinary endocan levels were significantly higher in patients with acute ABMR than those in patients with normal pathology, acute tubular necrosis (ATN), acute pyelonephritis, BK virus associated nephropathy (BKVN), and T-cell mediated rejection (TCMR). Patients with chronic active ABMR also exhibited significantly higher plasma and urinary endocan levels than patients with long-term graft survival. Scores of glomerulitis and peritubular capillaritis, which are typical features of microvascular inflammation, were significantly elevated in patients with higher plasma and/or urinary endocan levels. Furthermore, plasma and urinary endocan levels could effectively discriminate ABMR from ATN, BKVN, and TCMR. Finally, patients exhibiting high urinary and plasma endocan levels in acute ABMR group showed significantly worse renal survival. Altogether, plasma and urinary endocan levels may serve as potential markers of microvascular inflammation in kidney transplant recipients.
A subtelomeric region affects telomerase-negative replicative senescence in Saccharomyces cerevisiae
Authors: Jolivet Pascale , Serhal Kamar , Graf Marco , Eberhard Stephan , Xu Zhou , Luke Brian , Teixeira Maria Teresa
Published: February 2019

In eukaryotes, telomeres determine cell proliferation potential by triggering replicative senescence in the absence of telomerase. In Saccharomyces cerevisiae, senescence is mainly dictated by the first telomere that reaches a critically short length, activating a DNA-damage-like response. How the corresponding signaling is modulated by the telomeric structure and context is largely unknown. Here we investigated how subtelomeric elements of the shortest telomere in a telomerase-negative cell influence the onset of senescence. We found that a 15 kb truncation of the 7L subtelomere widely used in studies of telomere biology affects cell growth when combined with telomerase inactivation. This effect is likely not explained by (i) elimination of sequence homology at chromosome ends that would compromise homology-directed DNA repair mechanisms; (ii) elimination of the conserved subtelomeric X-element; (iii) elimination of a gene that would become essential in the absence of telomerase; and (iv) heterochromatinization of inner genes, causing the silencing of an essential gene in replicative senescent cells. This works contributes to better delineate subtelomere functions and their impact on telomere biology.
Flexible controls of broadband electromagnetic wavefronts with a mechanically programmable metamaterial
Authors: Liu Shuo , Zhang Lei , Bai Guo Dong , Cui Tie Jun
Published: February 2019

Coding and programmable metamaterials have experienced a rapid development since 2014, leading to many physical phenomena and engineering applications from microwave to terahertz frequencies, and even in the acoustic regime. The major challenge for current programmable metamaterials based on switching diodes is the experimental realization of a huge number of feeding lines for independent control of each digital unit. In this work, we provide an alternative approach for the experimental realization of the programmable metamaterial by developing a mechanical system, which consists of an array of metal blocks with adjustable height. The system supports the combination with conventional coding metamaterials to take full controls of both the phase and polarization of EM waves. As a theoretical byproduct of this work, we propose group delay code to achieve diffraction-limited achromatic redirection of linearly polarized broadband beam from 4 to 6 GHz by combining the group-delay code with the conventional phase code, a feat that traditionally requires complex structural design of unit cell. In view of the multifunctional performance afforded by the full-control of the phase, polarization and group delay, the mechanically controllable metamaterial in the microwave region may benefit different applications, such as imaging, communication, and radar detection.
Differential PI(4,5)P2 sensitivities of TRPC4, C5 homomeric and TRPC1/4, C1/5 heteromeric channels
Authors: Ko Juyeon , Myeong Jongyun , Shin Young-Cheul , So Insuk
Published: February 2019

Transient receptor potential canonical (TRPC) 4 and TRPC5 channels are modulated by the Gαq-PLC pathway. Since phosphatidylinositol 4,5-bisphosphate (PI(4,5)P2) maintains TRPC4 and TRPC5 channel function, the Gαq-PLC pathway inhibits channel activity by depleting PI(4,5)P2. Here we investigated the difference in PI(4,5)P2 sensitivity between homomeric and heteromeric TRPC channels. First, by using a Danio rerio voltage-sensing phosphatase (DrVSP), we show that PI(4,5)P2 dephosphorylation robustly inhibits TRPC4α, TRPC4β, and TRPC5 homotetramer currents and also TRPC1/4α, TRPC1/4β, and TRPC1/5 heterotetramer currents. Secondly, sensitivity of channels to PI(4,5)P2 dephosphorylation was suggested through the usage of FRET in combination with patch clamping. The sensitivity increased in the sequence TRPC4β < TRPC4α < TRPC5 in homotetramers, whereas when forming heterotetramers with TRPC1, the sensitivity was approximately equal between the channels. Thirdly, we determined putative PI(4,5)P2 binding sites based on a TRPC4 prediction model. By neutralization of basic residues, we identified putative PI(4,5)P2 binding sites because the mutations reduced FRET to a PI(4,5)P2 sensor and reduced the current amplitude. Therefore, one functional TRPC4 has 8 pockets with the two main binding regions; K419, K664/R511, K518, H630. We conclude that TRPC1 channel function as a regulator in setting PI(4,5)P2 affinity for TRPC4 and TRPC5 that changes PI(4,5)P2 sensitivity.
A galling insect activates plant reproductive programs during gall development
Authors: Schultz Jack C. , Edger Patrick P. , Body Mélanie J. A. , Appel Heidi M.
Published: February 2019

Many insect species have acquired the ability to redirect plant development to form unique organs called galls, which provide these insects with unique, enhanced food and protection from enemies and the elements. Many galls resemble flowers or fruits, suggesting that elements of reproductive development may be involved. We tested this hypothesis using RNA sequencing to quantify the transcriptional responses of wild grapevine (Vitis riparia) leaves to a galling parasite, phylloxera (Daktulosphaira vitifoliae). If development of reproductive structures is part of gall formation, we expected to find significantly elevated expression of genes involved in flower and/or fruit development in developing galls as opposed to ungalled leaves. We found that reproductive gene ontology categories were significantly enriched in developing galls, and that expression of many candidate genes involved in floral development were significantly increased, particularly in later gall stages. The patterns of gene expression found in galls suggest that phylloxera exploits vascular cambium to provide meristematic tissue and redirects leaf development towards formation of carpels. The phylloxera leaf gall appears to be phenotypically and transcriptionally similar to the carpel, due to the parasite hijacking underlying genetic machinery in the host plant.
Low noise, open-source QEPAS system with instrumentation amplifier
Authors: Winkowski Mateusz , Stacewicz Tadeusz
Published: February 2019

Quartz enhanced photoacoustic spectroscopy (QEPAS) is a rapidly developing, ultrasensitive method for trace gas sensing. Adequate electronic amplifier, well matched to the quartz characteristics is crucial for overall system performance. Here we present an open source circuit for QEPAS signal amplification. It consists of a buffer, instrumentation amplifier and digitally controlled gain stage. An experiment showed, that it offers signal to noise ratio of about 23 dB better than commonly used transimpedance amplifier. The use of this circuit provides opportunity to improve QEPAS sensitivity by about one order of magnitude.
The genetic and epigenetic association of LDL Receptor Related Protein 1B (LRP1B) gene with childhood obesity
Authors: Lee Suman
Published: February 2019

Low-density lipoprotein Receptor Related Protein 1B (LRP1B) is homologous to the gigantic lipoprotein receptor-related protein 1 that belongs to the family of Low-density lipoprotein receptors. Previous genetic association studies of the LRP1B gene have shown its genetic association with obesity. Through exome sequencing of the LRP1B gene from a childhood severe obesity cohort (n = 692), we found novel single nucleotide polymorphism (rs431809) in intron 4, which has been significantly correlated with both body mass index (BMI) and waist-hip-ratio (WHR). Three methylations of CpG sites (cg141441481, cg01852095 and cg141441470) in the same intron were also significantly correlated with BMI and WHR. All CpG methylations had bimodal patterns, and were dependent on rs431809 genotypes. The genetic influences of obesity on the LRP1B gene may be linked to the interplay of CpG methylations in the same intron. Heritability of SNP interacts with epigenetic crosstalk in LRP1B. Genetic and epigenetic crosstalk of LRP1B gene may be implicated in the prevention and therapeutic approach to childhood obesity.
Rapid and reversible lithiation of doped biogenous iron oxide nanoparticles
Authors: Misawa Masaaki , Hashimoto Hideki , Kalia Rajiv K. , Matsumoto Syuji , Nakano Aiichiro , Shimojo Fuyuki , Takada Jun , Tiwari Subodh , Tsuruta Kenji , Vashishta Priya
Published: February 2019

Certain bacteria produce iron oxide material assembled with nanoparticles (NPs) that are doped with silicon (Fe:Si ~ 3:1) in ambient environment. Such biogenous iron oxides (BIOX) proved to be an excellent electrode material for lithium-ion batteries, but underlying atomistic mechanisms remain elusive. Here, quantum molecular dynamics simulations, combined with biomimetic synthesis and characterization, show rapid charging and discharging of NP within 100 fs, with associated surface lithiation and delithiation, respectively. The rapid electric response of NP is due to the large fraction of surface atoms. Furthermore, this study reveals an essential role of Si-doping, which reduces the strength of Li-O bonds, thereby achieving more gentle and reversible lithiation culminating in enhanced cyclability of batteries. Combined with recent developments in bio-doping technologies, such fundamental understanding may lead to energy-efficient and environment-friendly synthesis of a wide variety of doped BIOX materials with customized properties.
A mind-brain-body dataset of MRI, EEG, cognition, emotion, and peripheral physiology in young and old adults
Authors: Babayan Anahit , Erbey Miray , Kumral Deniz , Reinelt Janis D. , Reiter Andrea M. F. , Röbbig Josefin , Schaare H. Lina , Uhlig Marie , Anwander Alfred , Bazin Pierre-Louis , Horstmann Annette , Lampe Leonie , Nikulin Vadim V. , Okon-Singer Hadas , Preusser Sven , Pampel André , Rohr Christiane S. , Sacher Julia , Thöne-Otto Angelika , Trapp Sabrina , Nierhaus Till , Altmann Denise , Arelin Katrin , Blöchl Maria , Bongartz Edith , Breig Patric , Cesnaite Elena , Chen Sufang , Cozatl Roberto , Czerwonatis Saskia , Dambrauskaite Gabriele , Dreyer Maria , Enders Jessica , Engelhardt Melina , Fischer Marie Michele , Forschack Norman , Golchert Johannes , Golz Laura , Guran C. Alexandrina , Hedrich Susanna , Hentschel Nicole , Hoffmann Daria I. , Huntenburg Julia M. , Jost Rebecca , Kosatschek Anna , Kunzendorf Stella , Lammers Hannah , Lauckner Mark E. , Mahjoory Keyvan , Kanaan Ahmad S. , Mendes Natacha , Menger Ramona , Morino Enzo , Näthe Karina , Neubauer Jennifer , Noyan Handan , Oligschläger Sabine , Panczyszyn-Trzewik Patricia , Poehlchen Dorothee , Putzke Nadine , Roski Sabrina , Schaller Marie-Catherine , Schieferbein Anja , Schlaak Benito , Schmidt Robert , Gorgolewski Krzysztof J. , Schmidt Hanna Maria , Schrimpf Anne , Stasch Sylvia , Voss Maria , Wiedemann Annett , Margulies Daniel S. , Gaebler Michael , Villringer Arno
Published: February 2019

We present a publicly available dataset of 227 healthy participants comprising a young (N=153, 25.1±3.1 years, range 20–35 years, 45 female) and an elderly group (N=74, 67.6±4.7 years, range 59–77 years, 37 female) acquired cross-sectionally in Leipzig, Germany, between 2013 and 2015 to study mind-body-emotion interactions. During a two-day assessment, participants completed MRI at 3 Tesla (resting-state fMRI, quantitative T1 (MP2RAGE), T2-weighted, FLAIR, SWI/QSM, DWI) and a 62-channel EEG experiment at rest. During task-free resting-state fMRI, cardiovascular measures (blood pressure, heart rate, pulse, respiration) were continuously acquired. Anthropometrics, blood samples, and urine drug tests were obtained. Psychiatric symptoms were identified with Standardized Clinical Interview for DSM IV (SCID-I), Hamilton Depression Scale, and Borderline Symptoms List. Psychological assessment comprised 6 cognitive tests as well as 21 questionnaires related to emotional behavior, personality traits and tendencies, eating behavior, and addictive behavior. We provide information on study design, methods, and details of the data. This dataset is part of the larger MPI Leipzig Mind-Brain-Body database.
A stream classification system for the conterminous United States
Authors: McManamay Ryan A. , DeRolph Christopher R.
Published: February 2019

Stream classifications are important for understanding stream ecosystem diversity while also serving as tools for aquatic conservation and management. With current rates of land and riverscape modification within the United States (US), a comprehensive inventory and evaluation of naturally occurring stream habitats is needed, as this provides a physical template upon which stream biodiversity is organized and maintained. To adequately represent the heterogeneity of stream ecosystems, such a classification needs to be spatially extensive where multiple stream habitat components are represented at the highest resolution possible. Herein, we present a multi-layered empirically-driven stream classification system for the conterminous US, constructed from over 2.6 million stream reaches within the NHDPlus V2 stream network. The classification is based on emergent natural variation in six habitat layers meaningful at the stream-reach resolution: size, gradient, hydrology, temperature, network bifurcation, and valley confinement. To support flexibility of use, we provide multiple alternative approaches to developing classes and report uncertainty in classes assigned to stream reaches. The stream classification and underlying data provide valuable resources for stream conservation and research.
A novel highly selective near-infrared and naked-eye fluorescence probe for imaging peroxynitrite
Authors: Yuan Ruiqing , Ma Yanhua , Du Jiyuan , Meng Fanxiao , Guo Jingjing , Hong Min , Yue Qiaoli , Li Xia , Li Chenzhong
Published: February 2019

A novel highly selective ICT-active NIR and naked-eye fluorescence probe for imaging peroxynitrite was developed.
A 6-acetyl-2-naphthol based two-photon fluorescent probe for the selective detection of nitroxyl and imaging in living cells
Authors: Zhang Pingzhu , Lian Pingping , Wang Xiaofen , Li Xueyan , Wei Chao , Li Xiaoliu
Published: February 2019

A novel two-photon HNO fluorescent probe (TP-HNO) was easily constructed and prepared by combining 6-acetyl-2-naphthol and 2-(diphenylphosphino)-benzoate.
Mitochondria targeted and NADH triggered photodynamic activity of chloromethyl modified Ru(ii) complexes under hypoxic conditions
Authors: Tian Na , Sun Weize , Guo Xusheng , Lu Jian , Li Chao , Hou Yuanjun , Wang Xuesong , Zhou Qianxiong
Published: February 2019

The photoreduction dehalogenation reaction triggered by NADH to form active carbon radicals was firstly applied in PDT to tackle hypoxia associated problems.
Linear assembly of lead bromide-based nanoparticles inside lead(ii) polymers prepared by mixing the precursors of both the nanoparticle and the polymer
Authors: Gonzalez-Carrero Soranyel , Bareño Lorena , Debroye Elke , Martin Cristina , Bondia Patricia , Flors Cristina , Galian Raquel E. , Hofkens Johan , Pérez-Prieto Julia
Published: February 2019

Preparation of 1D assemblies of lead halide-based nanoparticles inside a lead bromide polymer by concurrent formation of lead(ii) oligomers and the nanoparticles in the presence of cyclohexanemethylammonium bromide.
Fabrication of nano-patterned sapphire substrates by combining nanoimprint lithography with edge effects
Authors: Chen Yiyong , Chen Zhizhong , Jiang Shengxiang , Li Chengcheng , Chen Yifan , Zhan Jinglin , Kang Xiangning , Jiao Fei , Zhang Guoyi , Shen Bo
Published: February 2019

A volcano-shaped nano-patterned sapphire substrate fabricated by combining nanoimprint lithography with edge effects.
Phonon transport and thermoelectric properties of semiconducting Bi2Te2X (X = S, Se, Te) monolayers
Authors: Rashid Zahid , Nissimagoudar Arun S. , Li Wu
Published: February 2019

Confinement or dimensionality reduction is a novel strategy to reduce the lattice thermal conductivity and, consequently, to improve the thermoelectric conversion performance.
Electronic and magnetic properties of CoPc and FePc molecules on graphene: the substrate, defect, and hydrogen adsorption effects
Authors: Wang Yu , Li Xiaoguang , Yang Jinlong
Published: February 2019

The influences of the gold substrate, vacancies in graphene, and extra atomic hydrogen coordination on the magnetism of the TMPc/graphene composites are investigated.
Oxygen-functionalized TlTe buckled honeycomb from first-principles study
Authors: Lu Qing , Wen Yi-Ming , Zeng Zhao-Yi , Chen Xiang-Rong , Chen Qi-Feng
Published: February 2019

A sizable band gap is crucial for the applications of topological insulators at room temperature.
Hierarchically constructed NiO with improved performance for catalytic transfer hydrogenation of biomass-derived aldehydes
Authors: He Jian , Nielsen Monia Runge , Hansen Thomas Willum , Yang Song , Riisager Anders
Published: February 2019

A 3D nanometer-scaled NiO material with urchin-like structure was prepared via a facile route, and served as a highly efficient and durable catalyst for catalytic transfer hydrogenation of bio-based furfural to furfuryl alcohol using 2-propanol as H-donor and solvent.
Novel primary amide-based cationic metal complexes: green synthesis, crystal structures, Hirshfeld surface analysis and solvent-free cyanosilylation reaction
Authors: Markad Datta , Khullar Sadhika , Mandal Sanjay K.
Published: February 2019

Using a new primary amide ligand 2-BPEG, four novel complexes of Cu(ii), Zn(ii) and Cd(ii) have been synthesized and fully characterized. The Cd(ii) analogue acts as an excellent heterogeneous catalyst for the solvent-free cyanosilylation reaction of an aldehyde with TMSCN.
The effects of polyphenols and other bioactives on human health
Authors: Fraga César G. , Croft Kevin D. , Kennedy David O. , Tomás-Barberán Francisco A.
Published: February 2019

Consuming polyphenols is associated with benefits to cardiometabolic health and brain function, which are driven by their complex interrelationship with the gut microbiome, their bioactive metabolites, and other phytochemicals.
A micellar catalysis strategy applied to the Pd-catalyzed C–H arylation of indoles in water
Authors: Vaidya Gargi Nikhil , Fiske Sneha , Verma Hansa , Lokhande Shyam Kumar , Kumar Dinesh
Published: February 2019

Surfactant-assisted, ligand-enabled selective C–H arylation of indoles in water under mild conditions using 1 mol% of [(cinnamyl)PdCl]2.
Hemi-core@frame AuCu@IrNi nanocrystals as active and durable bifunctional catalysts for the water splitting reaction in acidic media
Authors: Park Jongsik , Choi Songa , Oh Aram , Jin Haneul , Joo Jinwhan , Baik Hionsuck , Lee Kwangyeol
Published: February 2019

The AuCu@IrNi hemicore@frame nanostructure exhibits excellent electrocatalytic activity and durability toward overall water splitting reactions under acidic conditions.
Cancer cell targeting and therapeutic delivery of silver nanoparticles by mesoporous silica nanocarriers: insights into the action mechanisms using quantitative proteomics
Authors: Montalvo-Quiros Sandra , Aragoneses-Cazorla Guillermo , Garcia-Alcalde Laura , Vallet-Regí María , González Blanca , Luque-Garcia Jose L.
Published: February 2019

An approach for safely delivering AgNPs to cancer cells and the evaluation of the affected cellular mechanism are presented.
Room temperature exciton–polariton condensate in an optically-controlled trap
Authors: Zhang Xinhan , Zhang Yingjun , Dong Hongxing , Tang Bing , Li Dehui , Tian Chuan , Xu Chunyan , Zhou Weihang
Published: February 2019

We study experimentally the optical properties and dynamics of an exciton–polariton condensate confined in an optically defined trap at room temperature.
W2C nanodot-decorated CNT networks as a highly efficient and stable electrocatalyst for hydrogen evolution in acidic and alkaline media
Authors: Hu Yang , Yu Bo , Li Wenxin , Ramadoss Manigandan , Chen Yuanfu
Published: February 2019

W2C nanodot-decorated CNT networks fabricated via a scalable spray-drying process exhibit outstanding HER performance in both acidic and alkaline media.
Translocation, biotransformation-related degradation, and toxicity assessment of polyvinylpyrrolidone-modified 2H-phase nano-MoS2
Authors: Mei Linqiang , Zhang Xiao , Yin Wenyan , Dong Xinghua , Guo Zhao , Fu Wenhui , Su Chunjian , Gu Zhanjun , Zhao Yuliang
Published: February 2019

XANES and SR-TXM were used to investigate the fates of MoS2-PVP nanosheets in vivo and in vitro.
Synthesis of carbazole-based microporous polymer networks via an oxidative coupling mediated self-assembly strategy: from morphology regulation to application analysis
Authors: Xu Yang , Wang Tianqi , Shi Buyin , Gao Shengguang , Meng Guojie , Huang Kun
Published: February 2019

An efficient strategy to prepare morphology-tunable carbazole-based microporous polymer networks (C-MPNs) via an oxidative coupling mediated self-assembly strategy is reported for the first time.
A study on the preparation of alkyne functional nanoparticlesviaRAFT emulsion polymerisation
Authors: Gurnani Pratik , Cook Alexander B. , Richardson Robert A. E. , Perrier Sébastien
Published: February 2019

We evaluate the parameters surrounding the preparation of colloidally stable alkyne functional latex nanoparticlesviaRAFT emulsion polymerisation.
Significantly enhanced antioxidant activity of chitosan through chemical modification with coumarins
Authors: Li Qing , Wei Lijie , Zhang Jingjing , Gu Guodong , Guo Zhanyong
Published: February 2019

A new class of chitosan derivatives possessing coumarins was synthesized to improve the antioxidant activity of chitosan.
Polyphenols extracted from huangjiu have anti-inflammatory activity in lipopolysaccharide stimulated RAW264.7 cells
Authors: Peng Lin , Ai-lati Aisikaer , Ji Zhongwei , Chen Shuguang , Mao Jian
Published: February 2019

HPE with the predominant polyphenol of (+)-catechin exhibits anti-inflammatory activity through the NF-κB pathway and MAPK signaling.
Organic matter and ammonia removal by a novel integrated process of constructed wetland and microbial fuel cells
Authors: Liu Feng , Sun Lei , Wan Jinbao , Tang Aiping , Deng Mi , Wu Rongwei
Published: February 2019

A novel approach, combining a microbial fuel cell (MFC) with an integrated vertical flow constructed wetland (IVCW), was developed, and its ability to simultaneously produce electrical energy while treating swine wastewater was verified.
Mechanism for spontaneous oxygen and hydrogen evolution reactions on CoO nanoparticles
Authors: Park Kyoung-Won , Kolpak Alexie M.
Published: February 2019

Overall photocatalytic water splitting with a high efficiency has recently been observed for CoO nanoparticle suspensions in the absence of an applied bias or co-catalyst. This study clarifies the mechanism of spontaneous overall water splitting with the prominent efficiency observed on the CoO nanoparticle.
Nitrogen-doped graphene quantum dots for 80% photoluminescence quantum yield for inorganic γ-CsPbI3 perovskite solar cells with efficiency beyond 16%
Authors: Bian Hui , Wang Qian , Yang Siwei , Yan Changjie , Wang Haoran , Liang Lei , Jin Zhiwen , Wang Gang , Liu Shengzhong (Frank)
Published: February 2019

N-GQDs with 80% PLQY are used as an EDS layer for γ-CsPbI3 PSCs, and attained a high PCE of 16.02%.
Photochemical synthesis of π-extended ullazine derivatives as new electron donors for efficient conjugated D–A polymers
Authors: Miao Dandan , Aumaitre Cyril , Morin Jean-François
Published: February 2019

We report the synthesis of π-extended ullazine derivatives annulated with either electron-poor pyridine or electron-rich thiophene units through a metal-free, photochemical cyclodehydrochlorination (CDHC) reaction.
Dual-mode color tuning based on upconversion core/triple-shell nanostructure
Authors: Lei Lei , Dai Xiaoru , Cheng Yao , Wang Yuansheng , Xiao Zhen , Xu Shiqing
Published: February 2019

Temperature/power dual-mode color manipulation is achieved in an upconversion core/triple-shell nanostructure.
Achieving tunable dual-emissive and high-contrast mechanochromic materials by manipulating steric hindrance effects
Authors: Xie Zongliang , Su Tongtong , Ubba Eethamukkala , Deng Huangjun , Mao Zhu , Yu Tao , Zheng Ting , Zhang Yi , Liu Siwei , Chi Zhenguo
Published: February 2019

A rational strategy for the design and synthesis of tunable dual-emissive and single-component white-light-emitting materials by manipulating steric hindrance effects.
An effective approach to the quantitative analysis of skin-whitening agents in cosmetics with different substrates based on conventional UV-Vis determination
Authors: Li Sha Sha , Yin Bo , Zhai Hong Lin , Lu Shao Hua , Mi Jia Ying
Published: February 2019

Tchebichef curve moment approach was proposed for the quantitative analysis of five skin-whitening agents in cosmetics, which extended effectively the application of conventional UV-Vis determination.
C–H 18F-fluorination of 8-methylquinolines with Ag[18F]F
Authors: Lee So Jeong , Brooks Allen F. , Ichiishi Naoko , Makaravage Katarina J. , Mossine Andrew V. , Sanford Melanie S. , Scott Peter J. H.
Published: February 2019

This report describes a Pd-mediated C–H radiofluorination of 8-methylquinoline derivatives with no-carrier-added Ag[18F]F. Fluorination of 10 examples in up to 21% RCY and high molar activity is reported, as well as automation of the process in a radiochemistry synthesis module.
Excited state properties of a series of molecular photocatalysts investigated by time dependent density functional theory
Authors: Martynow Miłosz , Kupfer Stephan , Rau Sven , Guthmuller Julien
Published: February 2019

Excited state characters and energies of molecular photocatalysts are calculated by TDDFT to deduce trends for the electron transfer efficiencies.
DFT studies on mechanistic origins of ligand-controlled selectivity in Pd-catalyzed non-decarbonylative and decarbonylative reductive conversion of acyl fluoride
Authors: Xie Hujun , Xiang Chuyue , Zhang Yutong , Sun Tingting , Fan Ting , Lei Qunfang , Fang Wenjun
Published: February 2019

The mechanisms and origins for ligand-controlled nondecarbonylative and decarbonylative conversions of acyl fluorides catalyzed by palladium catalysts with different ligands have been investigated by DFT.
More than a decade of hydraulic fracturing and horizontal drilling research
Authors: Plata Desiree L. , Jackson Robert B. , Vengosh Avner , Mouser Paula J.
Published: February 2019

Guest editors Desiree Plata, Rob Jackson, Avner Vengosh and Paula Mouser introduce “The environmental geochemistry and biology of hydraulic fracturing” themed issue of Environmental Science: Processes & Impacts.
Theoretical investigation on the mechanism of Cu(ii)-catalyzed synthesis of 4-quinolones: effects of additives HOTf vs. HOTs
Authors: Yuan Binfang , Guo Xiaogang , Wang Guangzhao , Huang Huisheng , Zhang Fulan , Xu Jianhua , He Rongxing
Published: February 2019

Hydrogen-bond donor/proton-donor ability is revealed to be the primary factor that controls the catalytic capability of additives (HOTf vs. HOTs).
Copper-catalyzed tandem annulation/enol nucleophilic addition to access multisubstituted indoles
Authors: Song Wangze , Li Ming , He Junnan , Li Junhao , Dong Kun , Zheng Yubin
Published: February 2019

Various multisubstituted indoles are prepared from propargylic alcohols and enol nucleophiles by copper-catalyzed tandem annulation/enol nucleophilic addition.
Glycoconjugate synthesis using chemoselective ligation
Authors: Cheng Shuihong , Wantuch Paeton L. , Kizer Megan E. , Middleton Dustin R. , Wang Ruitong , DiBello Mikaela , Li Mingli , Wang Xing , Li Xuebing , Ramachandiran Vasanthi , Avci Fikri Y. , Zhang Fuming , Zhang Xing , Linhardt Robert J.
Published: February 2019

Chemoselective ligation of carbohydrates and polypeptides was achieved using an adipic acid dihydrazide cross-linker.
An efficient synthesis of fluoro-neplanocin A analogs using electrophilic fluorination and palladium-catalyzed dehydrosilylation
Authors: Jarhad Dnyandev B. , Jang Min Hwan , Shin Young Sup , Kim Gyudong , Kim Hong-Rae , Hyun Young Eum , Yoon Ji-seong , Jeong Lak Shin
Published: February 2019

An alternative and efficient approach to neplanocin A analogs 1b and 1d has been developed using electrophilic fluorination and Pd-catalyzed dehydrosilylation.
Determination of sialic acid in serum samples by dispersive solid-phase extraction based on boronate-affinity magnetic hollow molecularly imprinted polymer sorbent
Authors: Huang Wei , Hou Xingyu , Tong Yukui , Tian Miaomiao
Published: February 2019

Boronate-affinity magnetic hollow molecularly imprinted polymers were prepared with sialic acid (SA) as a template to selectively extract SA from serum samples coupled with HPLC-UV.
Retracted Article: An efficient one pot three-component synthesis of 2,4,6-triarylpyridines using triflimide as a metal-free catalyst under solvent-free conditions
Authors: Wang Hongshe , Zhao Weixing , Du Juan , Wei Fenyan , Chen Qi , Wang Xiaomei
Published: February 2019

A simple and efficient protocol developed for one pot three-component synthesis of 2,4,6-triarylpyridines from aromatic aldehydes, substituted acetophenones and ammonium acetate using triflimide (HNTf2) as an effective catalyst is described.
Constructing ultrathin CoP nanomeshes by Er-doping for highly efficient bifunctional electrocatalysts for overall water splitting
Authors: Zhang Gengwei , Wang Bin , Bi Jinglei , Fang Dangqi , Yang Shengchun
Published: February 2019

Exploring highly efficient non-noble-metal bifunctional catalysts for water electrolysis is vital for the commercial production of hydrogen.
Handover optimisation for multipath transmission control protocol‐based concurrent multipath transfer in heterogeneous networks
Authors: Wang Wei , Wang Xiaoxiang , Wang Dongyu
Published: February 2019

In this Letter, the authors propose a handover optimisation scheme (HOS) for multipath transmission control protocol‐based concurrent multipath transfer in heterogeneous networks. HOS includes two sections, proactive packet scheduling and access network selection. The former one proactively stops scheduling packets to the subflow about to be switched in order to reduce out‐of‐order packets during handover, while the latter one aims to select the optimal network for handover from multiple candidate networks by jointly considering multiple influential factors, i.e. path quality and dwelling time. Simulation results verify the effectiveness of the proposed scheme, which can achieve relatively higher throughput with fewer handovers.
Video object segmentation via attention‐modulating networks
Authors: Tang Runfa , Song Huihui , Zhang Kaihua , Jiang Sihao
Published: February 2019

This Letter presents an attention‐modulating network for video object segmentation that can well adapt its segmentation model to the annotated frame. Specifically, the authors first develop an efficient visual and spatial attention modulator to fast modulate the segmentation model to focus on the specific object of interest. Then they design a channel and spatial attention module and inject it into the segmentation model to further refine its feature maps. In addition, to fuse multi‐scale context information, they construct a feature pyramid attention module to further process the top layer feature maps, achieving better pixel‐level attention for the high‐level feature maps. Finally, to address the sample imbalance issue in training, they employ focal loss that can distinguish simple samples from the difficult ones to accelerate the convergence of network training. Extensive evaluations on DAVIS2017 dataset show that the proposed approach has achieved state‐of‐the‐art performance, outperforming the baseline OSMN by 3.6 and 5.4% in terms of IoU and F‐measure without fine‐tuning.
Mathematical modelling, simulation and experimental validation of resistance heating and induction heating techniques for E‐waste treatment
Authors: Mishra Hrishikesh , Patidar Bhupendra , Pante Avinash S. , Sharma Archana
Published: February 2019

Over the last few decades, E‐waste has become a serious concern all over the world due to the large generation, improper policies of management, inefficient techniques of recycling, adverse safety hazards etc. Different methodologies have been used for recycling of E‐waste, which further generates a large amount of secondary waste in the form of solid, liquid, and gases. Improper disposal of E‐waste and secondary waste adversely affects the human health and environment. Pyrolysis process, which is considered the most suitable technique for recycling of various wastes such as bio waste, plastic waste, and E‐waste has been discussed in detail. In this process, E‐waste is required to be heated up to 1000°C for volume and weight reduction. In this study, resistance and induction heating techniques have been used for pyrolysis of E‐waste. The study also focused on the mathematical modelling and validation of experimental data generated during the studies. Comparison evaluation of performance pertaining to both the heating techniques for pyrolysis of E‐waste was carried out and the result shows that weight reduction of E‐waste is relatively higher in case of induction heating and the same could be achieved at a faster rate and the technique was found to be more efficient as compared to resistance heating.
Robust fingerprint classification with Bayesian convolutional networks
Authors: Zia Tehseen , Ghafoor Mubeen , Tariq Syed Ali , Taj Imtiaz A.
Published: February 2019

Fingerprint classification is vital for reducing the search time and computational complexity of the fingerprint identification system. The robustness of classifier relies on the strength of extracted features and the ability to deal with low‐quality fingerprints. The proficiency to learn accurate features from raw fingerprint images rather than explicit feature extraction makes deep convolutional neural networks (DCNNs) attractive for fingerprint classification. The DCNNs use softmax for quantifying model confidence of a class for an input fingerprint image to make a prediction. However, the softmax probabilities are not a true representation of model confidence and often misleading in feature space that may not be represented with the available training examples. The primary goal of this study is to improve the efficacy of the fingerprint classification by dealing with false positives by employing Bayesian model uncertainty. The efficacy of the proposed method is shown through experimentations on NIST special database 4 (NIST‐4) and fingerprint verification competition 2002 database 1‐A (FVC DB1‐A) 2002 and 2004 datasets. Results show that 0.8–1.0% of accuracy is improved with model uncertainty over the conventional DCNN.
System‐based modelling and synthesis of defected ground structure resonators and filters
Authors: Rehman Sajjad Ur , Alkanhal Majeed A.S.
Published: February 2019

This paper describes a method for the system modelling and synthesis of defected ground structure (DGS) resonators based on the singularity expansion method (SEM). The analytical expressions of the transfer functions for three types (dumbbell‐shaped, C‐shaped and meander‐shaped) of DGS resonators are formulated. The physical poles of the DGS structures are extracted utilising a pole‐energy‐based matrix pencil (MP) scheme. Afterwards, the transfer function expressions are utilised to develop an accurate equivalent lumped‐element circuit for the three types of DGS resonators. A systematic synthesis method using the generalised transfer function of the resonators is proposed to design a meander‐shaped DGS dual‐bandpass filter. Good agreement is observed between the transfer function model of the system and the computed frequency domain data of the synthesised DGS filter. The developed procedures of system‐based modelling and synthesis are general and can be used systematically to synthesise multipart DGS filter structures.
Wideband bandpass filters with reconfigurable bandwidth and fixed notch bands based on terminated cross‐shaped resonator
Authors: Bi Xiao‐Kun , Teng Cheng , Cheong Pedro , Ho Sut‐Kam , Tam Kam‐Weng
Published: February 2019

In this study, a series of wideband bandpass filters (BPFs) with reconfigurable bandwidth and two fixed notch bands are presented. The fundamental topology is based on a new terminated cross‐shaped resonator (TCSR), which has three poles and four zeros. With the assistance of two symmetrical parallel coupled‐lines, another four poles and two zeros are introduced. As such, a notched‐band bandpass filter with multiple transmission poles and zeros are achieved. To realise the reconfigurable bandwidth, four PIN diodes are used. By controlling the status (switching on/off) of these PIN diodes, three reconfigurable‐bandwidth states can be implemented while the notch bands and centre frequency are maintained unaltered. Meanwhile, it is also found that the lower bandwidth edge of the proposed filter can be independently reconfigurable by inserting a capacitor into the lower stub of the novel TCSR, while the notch bands are kept unchanged. For validation, three prototypes are designed, fabricated, and measured. The measured results agree well with theoretical analysis and therefore verify the simple designing approach of reconfigurable BPFs.
Differential low‐loss T/R switch for phase array application in 0.18‐μm CMOS technology
Authors: Zhao Chenxi , Wu Yipeng , Liu Huihua , Wu Yunqiu , Kang Kai
Published: February 2019

Here, a Ku‐band transmit/receive (T/R) differential switch using the 180‐nm CMOS process is presented. The differential structure method is chosen to realise easy integration with other RF components. From 15–18 GHz, the measured insertion loss (IL) of the switch in the transmit (TX) and receive (RX) mode is 4.3 and 4.1 dB, respectively. The isolation is better than 20 dB in both modes. The design achieves a measured input 1 dB power compression point () of 13.5 dBm at 17 GHz. The differential T/R switch integrated in a Ku‐band‐phased array transceiver demonstrates that it is a promising technology for implementing fully integrated transceiver.
Variation of device topology for material simplification as three‐dimensional transformation optics methodology
Authors: Kazemzadeh Mohammad‐Rahim , Alighanbari Abbas
Published: February 2019

A three‐dimensional (3‐D) transformation optics (TO) methodology is presented using polyhedral meshing and homogeneous materials, in which, the topology of the device is varied, in order to achieve material simplification. The device is divided into a minimal number of polyhedral segments, and a linear transformation is applied to each polyhedron. The polyhedrons and transformations are tried to be chosen so that the volume is conserved through the transformation, and if possibly, some transformed materials are equivalent to free space. A few 3‐D waveguide coupler and carpet cloak problems are solved to demonstrate and evaluate the proposed methodology. For instance, it is shown that a right‐angle 3‐D rectangular waveguide bend can be designed using only one two‐dimensional (2‐D) homogeneous material. Also, resize couplers are designed using only one or two 2‐D homogeneous materials. A carpet cloak is demonstrated which uses only two material types, filling five polyhedral meshing segments. Similar problems would have required much larger number of meshing segments and material types, using previous methods. Therefore, using the proposed methodology, 3‐D TO‐based guiding and cloaking devices will be more feasible. Furthermore, a 3‐D finite difference time domain (FDTD) method is developed to verify the results of some examples.