bluuebunny/crossref_metadata_2025 huggingface dataset:
A machine learning approach for reliable prediction of amino acid interactions and its application in the directed evolution of enantioselective enzymes
Authors: Cadet Frédéric , Fontaine Nicolas , Li Guangyue , Sanchis Joaquin , Ng Fuk Chong Matthieu , Pandjaitan Rudy , Vetrivel Iyanar , Offmann Bernard , Reetz Manfred T.
Published: November 2018

Directed evolution is an important research activity in synthetic biology and biotechnology. Numerous reports describe the application of tedious mutation/screening cycles for the improvement of proteins. Recently, knowledge-based approaches have facilitated the prediction of protein properties and the identification of improved mutants. However, epistatic phenomena constitute an obstacle which can impair the predictions in protein engineering. We present an innovative sequence-activity relationship (innov’SAR) methodology based on digital signal processing combining wet-lab experimentation and computational protein design. In our machine learning approach, a predictive model is developed to find the resulting property of the protein when the n single point mutations are permuted (2n combinations). The originality of our approach is that only sequence information and the fitness of mutants measured in the wet-lab are needed to build models. We illustrate the application of the approach in the case of improving the enantioselectivity of an epoxide hydrolase from Aspergillus niger. n = 9 single point mutants of the enzyme were experimentally assessed for their enantioselectivity and used as a learning dataset to build a model. Based on combinations of the 9 single point mutations (29), the enantioselectivity of these 512 variants were predicted, and candidates were experimentally checked: better mutants with higher enantioselectivity were indeed found.
Serum selenoprotein P, but not selenium, predicts future hyperglycemia in a general Japanese population
Authors: Oo Swe Mar , Misu Hirofumi , Saito Yoshiro , Tanaka Mutsumi , Kato Seiji , Kita Yuki , Takayama Hiroaki , Takeshita Yumie , Kanamori Takehiro , Nagano Toru , Nakagen Masatoshi , Urabe Takeshi , Matsuyama Naoto , Kaneko Shuichi , Takamura Toshinari
Published: November 2018

We aimed to test the hypothesis that selenoprotein P (SELENOP), a hepatokine involved in the development of both insulin resistance and impaired insulin production in mice, is related to future onset of hyperglycemia in humans. 76 healthy non-pregnant human subjects without diabetes underwent oral glucose tolerance test (OGTT) at baseline and 4-years follow-up. Nine subjects developed either impaired glucose tolerance or type 2 diabetes at follow-up. At baseline, SELENOP concentrations correlated negatively with insulinogenic index, but not with homeostasis model assessment-estimated insulin resistance (HOMA-IR). Multivariate analysis showed that baseline SELENOP predicted fasting plasma glucose at follow-up independently of the other parameters. The receiver operating characteristic (ROC) curve analysis showed that baseline concentrations of serum SELENOP, but not of selenium, were a reliable test to predict future onset of glucose intolerance. In conclusion, elevation of circulating SELENOP, but not of circulating selenium, was positively and independently associated with future onset of glucose intolerance in a general Japanese population.
A novel adiposity index as an integrated predictor of cardiometabolic disease morbidity and mortality
Authors: Park Yousung , Kim Nam Hoon , Kwon Tae Yeon , Kim Sin Gon
Published: November 2018

We propose a new anthropometric index, weight-adjusted-waist index (WWI), to assess adiposity by standardizing waist circumference (WC) for weight. WWI, calculated as WC (cm) divided by the square root of weight (kg) (cm/√kg), was measured from 465,629 subjects in the Korean nationwide cohort (2008–2013). Cox regression analysis was used to compare WWI with BMI, WC, waist-to-height ratio (WHtR), and a body shape index (ABSI) for cardiometabolic morbidity and mortality risk in diagnostic and prognostic prediction models. For incident hypertension, type 2 diabetes and cardiovascular disease (CVD), BMI had the strongest predictive power, followed by WWI and WC. However, WWI showed the best predictive performance for CVD mortality. Also, a linear positive association between adiposity indices and cardiovascular and all-cause mortality was only shown in WWI and ABSI, not BMI, WC and WHtR which showed inverse J-shaped patterns. In the test of joint effects of each index, WWI combined with BMI was the strongest in both diagnostic and prognostic models. WWI is a unique adiposity index that shows linear positive association with both cardiometabolic morbidity and mortality. It also predicts incident cardiometabolic disease, cardiovascular and all-cause mortality risk with excellence in predictive power, especially when combined with BMI.
The Core Eudicot Boom Registered in Myanmar Amber
Authors: Liu Zhong-Jian , Huang Diying , Cai Chenyang , Wang Xin
Published: November 2018

A perfect flower in a mid-Cretaceous (early Cenomanian) Myanmar amber is described as Lijinganthus revoluta gen. et sp. nov. The fossil flower is actinomorphic and pentamerous, including calyx, corolla, stamens, and gynoecium. The sepals are tiny, while the petals are large and revolute. The stamens are dorsifixed, filamentous, and each has a longitudinally dehiscing bisporangiate anther. The gynoecium is in the centre of the flower, composed of three fused carpels with a stout style. Lijinganthus revoluta gen. et sp. nov. demonstrates a great resemblance to the flowers of Pentapetalae (Eudicots), adding new information to the enigmatic early evolutionary history of Pentapetalae and Eudicots.
Comparative study of catalytic activities among transition metal-doped IrO2 nanoparticles
Authors: Lee Hangil , Kim Joo Yeon , Lee Si Young , Hong Jung A. , Kim Namdong , Baik Jaeyoon , Hwang Yun Jeong
Published: November 2018

Catalytic activities of transition metal-doped IrO2 nanoparticles (TM-IrO2 NPs; TM = Cr, Mn, Fe, Co, or Ni) are compared for various oxidation reactions such as electrochemical oxygen evolution reaction (OER), gas-phase photo-oxidation of thiol function group, and CO oxidative conversion. Here, we discovered a series of TM-IrO2 catalysts have a common activity trend for these oxidation reactions, and their activities are closely related with modified electronic states of IrO2, strongly affected by the types of the transition metal across the periodic table. For all oxidation reactions, Cr- and Mn-IrO2 achieved the highest oxidation catalytic activity, and sequentially decreased activities were obtained with Fe, Co, and Ni doped IrO2. For instance, the highest OER activity was achieved by Cr or Mn doping exhibiting the smallest overpotential η = 275~230 mV at 10 mA/cm2, while Ni-IrO2 showed rather larger overpotential (η = 347 mV) even compared with non-doped IrO2 (η = 314 mV). Scanning transmission X-ray microscopy and high-resolution photoemission spectra of TM-IrO2 indicated dopant metals modified the Ir-O interaction and thus increasing oxygen vacancy defects in IrO2. Strongly positive correlation was observed between the catalytic activities and vacancy states. The amount of defect related signals was observed the most for Cr- or Mn-IrO2, less so for Fe- or Co-IrO2, and unnoted for Ni-IrO2 compared with bare IrO2. Based on these catalytic activities and surface spectroscopic analysis results, vacancy defects induced by doping in TM-IrO2 NPs are proposed to contribute to enhance the oxidation activities.
Highly Improved Solar Energy Harvesting for Fuel Production from CO2 by a Newly Designed Graphene Film Photocatalyst
Authors: Yadav Rajesh K. , Lee Jeong-O , Kumar Abhishek , Park No-Joong , Yadav Dolly , Kim Jae Young , Baeg Jin-Ook
Published: November 2018

Our growing energy demands must be met by a sustainable supply with reduced carbon intensity. One of the most exciting prospects to realize this goal is the photocatalyst-biocatalyst integrated artificial photosynthesis system which affords solar fuel/chemicals in high selectivity from CO2. Graphene based photocatalysts are highly suitable for the system, but their industrial scale use requires immobilization for improved separation and recovery of the photocatalyst. Therefore for practical purposes, design and fabrication of film type graphene photocatalyst with higher solar energy conversion efficiency is an absolute necessity. As a means to achieve this, we report herein the successful development of a new type of flexible graphene film photocatalyst that leads to >225% rise in visible light harvesting efficiency of the resultant photocatalyst-biocatalyst integrated artificial photosynthesis system for highly selective solar fuel production from CO2 compared to conventional spin coated graphene film photocatalyst. It is an important step towards the design of a new pool of graphene film based photocatalysts for artificial photosynthesis of solar fuels from CO2.
Pulsed interleaved excitation-based line-scanning spatial correlation spectroscopy (PIE-lsSCS)
Authors: Gao Xiang , Gao Peng , Prunsche Benedikt , Nienhaus Karin , Nienhaus Gerd Ulrich
Published: November 2018

We report pulsed interleaved excitation (PIE) based line-scanning spatial correlation spectroscopy (PIE-lsSCS), a quantitative fluorescence microscopy method for the study of dynamics in free-standing lipid bilayer membranes. Using a confocal microscope, we scan multiple lines perpendicularly through the membrane, each one laterally displaced from the previous one by several ten nanometers. Scanning through the membrane enables us to eliminate intensity fluctuations due to membrane displacements with respect to the observation volume. The diffusion of fluorescent molecules within the membrane is quantified by spatial correlation analysis, based on the fixed lag times between successive line scans. PIE affords dual-color excitation within a single line scan and avoids channel crosstalk. PIE-lsSCS data are acquired from a larger membrane region so that sampling is more efficient. Moreover, the local photon flux is reduced compared with single-point experiments, resulting in a smaller fraction of photobleached molecules for identical exposure times. This is helpful for precise measurements on live cells and tissues. We have evaluated the method with experiments on fluorescently labeled giant unilamellar vesicles (GUVs) and membrane-stained live cells.
Compound heterozygous splice site variants in the SCLT1 gene highlight an additional candidate locus for Senior-Løken syndrome
Authors: Katagiri Satoshi , Hayashi Takaaki , Yoshitake Kazutoshi , Murai Noriyuki , Matsui Zenichi , Kubo Hiroyuki , Satoh Hiroyuki , Matsufuji Senya , Takamura Tsuyoshi , Yokoo Takashi , Omori Yoshihiro , Furukawa Takahisa , Iwata Takeshi , Nakano Tadashi
Published: November 2018

Senior Løken syndrome (SLS) is a heterogeneous disorder characterized by severe retinal degenerations and juvenile-onset nephronophthisis. Genetic variants in ten different genes have been reported as the causes of SLS. Clinical evaluation of a patient with SLS and her unaffected parents revealed that the patient had infantile-onset retinal dystrophy and juvenile-onset nephronophthisis. Other systemic abnormalities included hepatic dysfunction, megacystis, mild learning disability, autism, obesity, and hyperinsulinemia. Whole-exome sequencing identified compound heterozygous SCLT1 variants (c.1218 + 3insT and c.1631A > G) in the patient. The unaffected parents were heterozygous for each variant. Transcript analysis using reverse transcription PCR demonstrated that the c.1218 + 3insT variant leads to exon 14 skipping (p.V383_M406del), while the other variant (c.1631A > G) primarily leads to exon 17 skipping (p.D480EfsX11) as well as minor amounts of two transcripts (6 bps deletion in the last of exon 17 [p.V543_K544del] and exons 17 and 18 skipping [p.D480E, S481_K610del]). Immunohistochemical analysis demonstrated that the Sclt1 protein was localized to the distal appendage of the photoreceptor basal body, indicating a ciliary protein. In conclusion, we identified compound heterozygous splice site variants of SCLT1 in a patient with a new form of ciliopathies that exhibits clinical features of SLS.
Effect of fenofibrate on uric acid level in patients with gout
Authors: Jung Ju-Yang , Choi Young , Suh Chang-Hee , Yoon Dukyong , Kim Hyoun-Ah
Published: November 2018

Gout is a chronic disease associated with deposition of monosodium urate crystals and accompanied by diabetes, hypertension, and dyslipidemia. Hypertriglyceridemia is common among patients with gout, and fenofibrate is usually used to reduce triglyceride levels. The aim of this study is to determine the effect of uric acid reduction by fenofibrate in patients with gout administered uric acid lowering agents (viz., the xanthine oxidase inhibitors allopurinol and febuxostat). Data from 863 patients with gout were collected from electronic medical records comprising information on underlying diseases, laboratory findings, and drug histories. Among all the patients, 70 (8.11%) took fenofibrate with allopurinol or febuxostat. Male and young patients took fenofibrate more frequently, and hypertension was less frequent in patients administered xanthine oxidase inhibitors and fenofibrate than in those administered only xanthine oxidase inhibitors. After the treatment, serum uric acid levels more significantly decreased (−1.81 ± 2.41 vs. −2.40 ± 2.28 mg/dL, p = 0.043) in patients with fenofibrate cotreatment, than in those administered allopurinol or febuxostat alone. The effect of uric acid reduction was larger (b = −1.098, p < 0.001) in patients taking glucocorticoids than in those administered other treatments. There was no difference in the levels of creatinine, blood urea nitrogen, and aminotransferases between patients treated with and without fenofibrate. Fenofibrate additionally reduced uric acid levels without showing any change in the results of renal or liver function tests, suggesting that the addition of fenofibrate is a reasonable option for treating gout in patients having high triglyceride levels.
Comprehensive molecular and cellular studies suggest avian scutate scales are secondarily derived from feathers, and more distant from reptilian scales
Authors: Wu Ping , Lai Yung-Chih , Widelitz Randall , Chuong Cheng-Ming
Published: November 2018

Amniote skin appendages such as feathers, hairs and scales, provide thermoregulation, physical protection and display different color patterns to attract a mate or frighten an adversary. A long-standing question is whether “reptile scale” and “avian leg scales” are of the same origin. Understanding the relation between avian feathers, avian scales and reptilian scales will enhance our understanding of skin appendage evolution. We compared the molecular and cellular profiles in chicken feather, chicken scales and alligator scales and found that chicken scutate scales are similar to chicken feathers in morphogenesis at the early placode stage. When we compared the expression of the recently identified feather-specific genes and scale-specific genes in these skin appendages, we found that at the molecular level alligator scales are significantly different from both chicken feathers and chicken scales. Furthermore, we identified a similarly diffuse putative stem cell niche in morphologically similar chicken and alligator scales. These putative stem cells participate in alligator scale regeneration. In contrast, avian feathers have a more condensed stem cell niche, which may be responsible for cycling. Thus, our results suggest that chicken and alligator scales formed independently through convergent evolution.
Blocking drug activation as a therapeutic strategy to attenuate acute toxicity and physiological effects of heroin
Authors: Zhang Ting , Zheng Xirong , Kim Kyungbo , Zheng Fang , Zhan Chang-Guo
Published: November 2018

Heroin is a growing national crisis in America. There is an increasing frequency of heroin overdoses. All of the currently used therapeutic approaches to treatment of heroin abuse and other opioid drugs of abuse focus on antagonizing a brain receptor (particularly µ-opiate receptors). However, it has been known that the therapeutic use of certain µ-opiate receptor antagonist may actually increase heroin overdose. Once overdosed, heroin addicts may continue to get overdosed again and again until fatal. Here we report our design and validation of a novel therapeutic strategy targeting heroin activation based on our analysis of the chemical transformation and functional change of heroin in the body. An effective blocker of heroin activation, such as ethopropazine tested in this study, may be used as a standalone therapy or in combination with a currently available, traditional medications targeting µ-opiate receptors (e.g. naltrexone or its extended-release formulation Vivitrol). The combination therapy would be ideal for heroin abuse treatment as the effects of two therapeutic agents targeting two independent mechanisms are cooperative.
Development of local strontium ranelate delivery systems and long term in vitro drug release studies in osteogenic medium
Authors: Loca Dagnija , Smirnova Anastasija , Locs Janis , Dubnika Arita , Vecstaudza Jana , Stipniece Liga , Makarova Elina , Dambrova Maija
Published: November 2018

It has been recognized that the operative stabilization of osteoporotic fractures should be followed up with an appropriate osteoporosis treatment in order to decrease the risk of repeated fractures. Despite the good clinical results of strontium ranelate (SrRan) towards the osteoporosis treatment, high drug doses and long treatment period cause an increased risk of serious side effects. Novel local SrRan/poly(lactic acid) (SrRan/PLA) delivery systems containing from 3.57 ± 0.28 wt% to 24.39 ± 0.91 wt% of active substance were developed. In order to resemble the naturally occurring processes, osteogenic media (OM) was used as a release medium for long term (121 days) in vitro drug release studies and UV/VIS method for the determination of SrRan content in OM was developed and validated. Biomimetic calcium phosphate precipitates were found on the surface and in the pores of prepared delivery system after microcapsule exposure to OM for 121 days as well as SrRan particles, indicating that the release of the drug have not been completed within 121 days. In vitro cell viability evaluation approved no cytotoxic effects of microcapsule suspensions and extracts.
Development of ultra-low volume, multi-bio fluid, cortisol sensing platform
Authors: Upasham Sayali , Tanak Ambalika , Jagannath Badrinath , Prasad Shalini
Published: November 2018

The development of a non-faradaic electrochemical sensor for screening across multiple bio-fluids that demonstrate the expression of cortisol using a gold microelectrode-based sensor is reported in this paper. Room temperature ionic liquid (RTIL), BMIM[BF4] was used as the buffer to modulate the electrical double layer (EDL) to enhance the electrochemical signal response of the sensor. The sensor design and the surface chemistry was optimized using COMSOL Multiphysics software simulations and FTIR respectively. The sensor was designed so that it uses ultra-low volumes between 3–5 µL of bio-fluid for detection. Cortisol detection was achieved in the physiologically relevant ranges when tested in serum, blood, sweat, and, saliva using non-faradaic Electrochemical Impedance Spectroscopy (EIS) and performance parameters of the sensor were determined. Sensor’s response was tested against the only commercially available salivary cortisol point-of-care kit using regression analysis. Cross-reactive studies using prednisone indicated that the sensor is specific for cortisol. The sensor displayed a correlation value i.e. R2 > 0.95 between the signal response and the concentration of cortisol present in the system. Dynamic range of the sensor was across the physiologically relevant range of cortisol i.e. 50–200 ng/ml for serum/blood, 1–40 ng/ml for saliva, and 10–150 ng/ml for sweat. Limit of detection for serum and sweat was 10 ng/ml and 1 ng/ml for saliva.
Risk factors for the presence of dental black plaque
Authors: Ortiz-López Claudia S. , Veses Veronica , Garcia-Bautista Jose A. , Jovani-Sancho Maria del Mar
Published: November 2018

In order to evaluate risk factors related to the presence of extrinsic dental black stain, a total of 94 orally healthy volunteers (47 individuals with dental black stain and 47 individuals without dental black stain) were recruited from ten different dental clinics in Valencia and Castellón (Spain). Data regarding their oral hygiene, dietary habits, and oral health status were gathered by questionnaire. Samples of dental plaque, saliva and drinking water were collected for chemical analysis. Three factors were found to be statistically significantly associated with dental black stain, (i) consuming water with high iron content, (ii) consuming water with high pH, and (iii) having a high salivary pH. Other factors such as smoking, taking iron supplements or consuming caffeinated drinks were not found to be risk factors for the presence of black stain. A multivariate logistic regression analysis showed that drinking tap or osmosis-purified water and lower levels of salivary iron increase the risk of having dental black stain. Overall, several risk factors for the presence of dental black stain have been identified. The main modifiable risk factor identified in this study was the consumption of tap or osmosis drinking water.
Quadratic relationships between group size and foraging efficiency in a herbivorous primate
Authors: Grueter Cyril C. , Robbins Andrew M. , Abavandimwe Didier , Vecellio Veronica , Ndagijimana Felix , Stoinski Tara S. , Robbins Martha M.
Published: November 2018

The effect of feeding competition on foraging efficiency is an important link between ecological factors and the social organization of gregarious species. We examined the effects of group size on daily travel distances, activity budgets, and energy intake of mountain gorillas in Rwanda. We measured daily travel distances of five groups, activity budgets of 79 gorillas in nine groups, and energy intake data for 23 adult females in three groups over a 16-month period. Travel distances and the proportion of time spent traveling increased with size for most groups, which would be expected if their foraging efficiency is limited by intragroup feeding competition. However, travel distances and times decreased for the largest group, which also had higher energy intake rates than intermediate sized groups. The improved foraging efficiency of the largest group may be explained by advantages in intergroup contest competition. The largest group had much lower home range overlap than the other study groups which may be due to groups avoiding one another as a result of male mating competition. Collectively, our results indicate that intermediate sized groups had the lowest foraging efficiency and provide a new twist on the growing evidence of non-linear relationships between group size and foraging efficiency in primates.
CETP genetic variant rs1800777 (allele A) is associated with abnormally low HDL-C levels and increased risk of AKI during sepsis
Authors: Genga Kelly Roveran , Trinder Mark , Kong HyeJin Julia , Li Xuan , Leung Alex K. K. , Shimada Tadanaga , Walley Keith R. , Russell James A. , Francis Gordon A. , Brunham Liam R. , Boyd John H.
Published: November 2018

High-density cholesterol (HDL-C) levels are influenced by genetic variation in several genes. Low levels of HDL-C have been associated with increased risk of acute kidney injury (AKI). We investigated whether genetic polymorphisms in ten genes known to regulate HDL-C levels are associated with both HDL-C levels and AKI development during sepsis. Two cohorts were retrospectively analyzed: Derivation Cohort (202 patients with sepsis enrolled at the Emergency Department from 2011 to 2014 in Vancouver, Canada); Validation Cohort (604 septic shock patients enrolled into the Vasopressin in Septic Shock Trial (VASST)). Associations between HDL-related genetic polymorphisms and both HDL-C levels, and risk for clinically significant sepsis-associated AKI (AKI KDIGO stages 2 and 3) were evaluated. In the Derivation Cohort, one genetic variant in the Cholesteryl Ester Transfer Protein (CETP) gene, rs1800777 (allele A), was strongly associated with lower HDL-C levels (17.4 mg/dL vs. 32.9 mg/dL, P = 0.002), greater CETP mass (3.43 µg/mL vs. 1.32 µg/mL, P = 0.034), and increased risk of clinically significant sepsis-associated AKI (OR: 8.28, p = 0.013). Moreover, the same allele was a predictor of sepsis-associated AKI in the Validation Cohort (OR: 2.38, p = 0.020). Our findings suggest that CETP modulates HDL-C levels in sepsis. CETP genotype may identify patients at high-risk of sepsis-associated AKI.
Subwavelength Metamaterial Unit Cell for Low-Frequency Electromagnetic Absorber Applications
Authors: Jeong Heijun , Nguyen Toan Trung , Lim Sungjoon
Published: November 2018

In this paper, we propose a subwavelength metamaterial unit cell for low-frequency electromagnetic absorber applications. To realize a periodic array for a metamaterial absorber, the footprint size and thickness of a unit cell must be miniaturized to a subwavelength. We achieved the electrical size of the unit cell as 0.027λ × 0.027λ × 0.043λ at 2.4 GHz by introducing the inductive lump elements to a symmetric square-loop resonator. The performance of the proposed absorber was demonstrated by full-wave simulations and measurements. An inductance tolerance of 2% yielded errors of 1.2% and 1.25% in the absorptivity and absorption frequency, respectively. A prototype with 13 × 27 unit cells was fabricated and its absorptivity was measured to be 99.6% at 2.4 GHz.
Cost-effective and handmade paper-based potentiometric sensing platform for piperidine determination
Authors: Kamel Ayman H. , Galal Hoda R. , Awwad Nasser S.
Published: November 2018

For the first time, a robust, rugged, and low-cost ion sensor based on potentiometric transduction is presented here for rapid determination of piperidine.
In situ attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy combined with non-negative matrix factorization for investigating the synthesis reaction mechanism of 3-amino-4-amino-oxime furazan
Authors: Zhang Tianlong , He Ting , Yan Chunhua , Gao Xinyu , Ma Junxiu , Li Hua
Published: November 2018

In situ ATR-FTIR combined with non-negative matrix factorization for investigating the synthesis reaction mechanism of 3-amino-4-aminoximefurazan.
Correction: A facile and sensitive tetrabromobisphenol-A sensor based on biomimetic catalysis of a metal–organic framework: PCN-222(Fe)
Authors: Yu Guangxia , Song Xin , Zheng Shijie , Zhao Qiang , Yang Danting , Zhao Jinshun
Published: November 2018

Correction for ‘A facile and sensitive tetrabromobisphenol-A sensor based on biomimetic catalysis of a metal–organic framework: PCN-222(Fe)’ by Guangxia Yu et al., Anal. Methods, 2018, 10, 4275–4281.
Whole-cell circular dichroism difference spectroscopy reveals an in vivo-specific deca-heme conformation in bacterial surface cytochromes
Authors: Tokunou Yoshihide , Chinotaikul Punthira , Hattori Shingo , Clarke Thomas A. , Shi Liang , Hashimoto Kazuhito , Ishii Kazuyuki , Okamoto Akihiro
Published: November 2018

Our novel analytical framework to identify the inter-heme interaction in deca-heme cytochrome protein MtrC in whole cell revealed that the heme alignment in reduced MtrC is distinct from that in purified system.
A facile two-photon fluorescent probe: an endoplasmic reticulum tracker monitoring ER stress and vesicular transport to lysosomes
Authors: Kumari Pratibha , Verma Sanjay K. , Mobin Shaikh M.
Published: November 2018

The two-photon fluorescent organic probeERLpselectively labels the endoplasmic reticulum in live cells and tumor spheroids.ERLpcan also monitor ER dynamic changes during ER stress and vesicle transport from the ER to the lysosome in living cells.
Implementing one-shot multiple-FID acquisition into homonuclear and heteronuclear NMR experiments
Authors: Motiram-Corral Kumar , Pérez-Trujillo Míriam , Nolis Pau , Parella Teodor
Published: November 2018

The concept of multiple-FID acquisition (MFA) within the same scan is applied to acquire simultaneously multiple 2D spectra from a single NMR experiment. A discussion on the incorporation of the MFA strategy in homonuclear and heteronuclear pulse sequences is presented. Several novel COSY- and HMBC-type experiments are reported as a time-efficient solution in small-molecule NMR spectroscopy.
Cation-specific interactions of protein surface charges in dilute aqueous salt solutions: a combined study using dielectric relaxation spectroscopy and Raman spectroscopy
Authors: Mukherjee K. , Schwaab G. , Havenith M.
Published: November 2018

We exploited glycine as a zwitterionic model system to experimentally probe the cation specific interaction of protein surface charges in dilute (≤0.25 mol L−1) aqueous solutions of four biologically relevant inorganic salts, NaCl, KCl, MgCl2and CaCl2,viadielectric relaxation spectroscopy (DRS) and Raman spectroscopy.
Optimum driving energy for achieving balanced open-circuit voltage and short-circuit current density in organic bulk heterojunction solar cells
Authors: Yang Wenchao , Yao Yao , Guo Pengfei , Sun Haibin , Luo Yongsong
Published: November 2018

Device model calculations show that balanced Jsc and Voc can be achieved at an optimum driving energy of 0.2 eV.
Enhanced CO catalytic oxidation over an Au–Pt alloy supported on TiO2 nanotubes: investigation of the hydroxyl and Au/Pt ratio influences
Authors: Li Jing-Jing , Zhu Bao-Lin , Wang Gui-Chang , Liu Zun-Feng , Huang Wei-Ping , Zhang Shou-Min
Published: November 2018

The schematic illustrates the catalytic mechanism and reaction pathways of Au–Pt/TiO2 SNT catalysts with enhanced catalytic activity for CO oxidation.
Regioselective C–H and N–H functionalization of purine derivatives and analogues: a synthetic and mechanistic perspective
Authors: Mondal Manoj , Begum Tahshina , Bharali Pankaj
Published: November 2018

This perspective provides a systematic and concise overview of the recent development in C–H/N–H bond functionalization in purine derivatives and analogues.
Impact of copper and iron binding properties on the anticancer activity of 8-hydroxyquinoline derived Mannich bases
Authors: Pape Veronika F. S. , May Nóra V. , Gál G. Tamás , Szatmári István , Szeri Flóra , Fülöp Ferenc , Szakács Gergely , Enyedy Éva A.
Published: November 2018

A relationship between pKa values, binding abilities to copper(ii) and iron(iii) and anticancer activity of 8-hydroxyquinoline derived Mannich bases.
Reactivity of rhodium and iridium peroxido complexes towards hydrogen in the presence of B(C6F5)3 or [H(OEt2)2][B{3,5-(CF3)2C6H3}4]
Authors: Baumgarth Hanna , Meier Gregor , von Hahmann Cortney N. , Braun Thomas
Published: November 2018

Rh and Ir peroxido complexes have been studied in the metal-mediated hydrogenation of O2. Dissimilar reaction pathways have been found on using the Lewis-acid B(C6F5)3 or the Brønsted-acid [H(OEt2)2][B{3,5-(CF3)2C6H3}4] to give H2O·B(C6F5)3 or H2O2.
Restricting shuttling in bis(imidazolium)…pillar[5]arene rotaxanes using metal coordination
Authors: Langer Philipp , Yang Lixu , Pfeiffer Constance R. , Lewis William , Champness Neil R.
Published: November 2018

Metal coordination to a series of bis (imidazolium)-pillar[5]arene [2]rotaxanes through the formation of metal–carbene bonds facilitates a new strategy to restrict the shuttling motion in [2]rotaxanes.
High-performance lead-free piezoelectrics with local structural heterogeneity
Authors: Liu Qing , Zhang Yichi , Gao Jing , Zhou Zhen , Wang Hui , Wang Ke , Zhang Xiaowen , Li Longtu , Li Jing-Feng
Published: November 2018

Introducing local structural heterogeneity can be a feasible way to achieve a high and thermally stable piezoelectric response in lead-free piezoelectrics.
Potential for city parks to reduce exposure to BTEX in air
Authors: Milazzo Michael J. , Gohlke Julia M. , Gallagher Daniel L. , Scott Anna A. , Zaitchik Benjamin F. , Marr Linsey C.
Published: November 2018

Concentrations of selected organic compounds in the atmosphere were lower in parks compared to nearby residential areas.
Starting a subnanoscale tank tread: dynamic fluxionality of boron-based B10Ca alloy cluster
Authors: Wang Ying-Jin , Feng Lin-Yan , Zhai Hua-Jin
Published: November 2018

Alloying a B10 cluster with Ca lowers the rotation barrier by one order of magnitude (down to 1 kcal mol−1), leading to a fluxional B10Ca tank tread at the subnanoscale.
Preparation of a rhodium(iii) cis-diaquacomplex by protic acid induced oxalate-release from mer-[Rh(C2O4)Cl(py)3]
Authors: Vasilchenko Danila , Tkachev Sergey , Baidina Iraida , Korolkov Ilya , Berdyugin Semen , Kozlova Ekaterina , Kozlov Denis
Published: November 2018

A new heteroleptic rhodium(iii) cis-diaquacomplex was prepared by a protic acid induced oxalate detachment reaction and its catalytic activity for light-driven hydrogen generation was studied.
Intaglio-type random silver networks as the cathodes for efficient full-solution processed flexible quantum-dot light-emitting diodes
Authors: Yu Rongmei , Wang Ting , Kang Zhihui , Zhang Han , Zhang Hanzhuang , Ji Wenyu
Published: November 2018

Efficient flexible QLEDs based on PRAN electrodes are obtained with the peak power efficiencies of 42.3, 101.9, and 6.4 lm W−1 for the red, green and blue devices, respectively.
Low temperature solution synthesis of reduced two dimensional Ti3C2 MXenes with paramagnetic behaviour
Authors: Yoon Yeoheung , Le Thi Anh , Tiwari Anand P. , Kim Ikjoon , Barsoum Michel W. , Lee Hyoyoung
Published: November 2018

MXenes – two dimensional, 2D, early transition metal, M, carbides and nitrides, X – are the latest addition to the 2D materials’ world.
Colloidal LaPO4:Gd3+ nanocrystals: X-ray induced single line UV emission
Authors: Espinoza Sara , Juestel Thomas , Haase Markus
Published: November 2018

X-ray excitation of LaPO4:Gd3+ nanocrystals results in single-line UV emission capable of activating organic molecules and enabling new biomedical applications.
Spin-polarized Fermi surface, hole-doping and band gap in graphene with boron impurities
Authors: Fedorov Alexander V. , Yashina Lada V. , Vilkov Oleg Yu. , Laubschat Clemens , Vyalikh Denis V. , Usachov Dmitry Yu.
Published: November 2018

Embedding foreign atoms in graphene and interchanging the underlying substrate are proved to be efficient methods for manipulating the properties of graphene.
N,O-Bidentate ligand-tunable copper(ii) complexes as a catalyst for Chan–Lam coupling reactions of arylboronic acids with 1H-imidazole derivatives
Authors: Jia Xuefeng , Peng Pai
Published: November 2018

Four novel N,O-bidentate ligand-tunable copper complexes were developed as a catalyst for Chan–Lam coupling reactions of arylboronic acids with 1H-imidazole derivatives under base-free conditions.
Four novel sesquiterpenoids with their anti-Alzheimer's disease activity from Nardostachys chinensis
Authors: Wu Pei-Qian , Yu Yi-Fan , Zhao Ye , Yu Chun-Xue , Zhi De-Juan , Qi Feng-Ming , Fei Dong-Qing , Zhang Zhan-Xin
Published: November 2018

Nardochinins A–D (1–4), four novel sesquiterpenoids, were isolated from Nardostachys chinensis. Nardochinin B (2) can significantly inhibit the Alzheimer's disease (AD) like symptom of worm paralysis.
Covalent capture of OGT's active site using engineered human-E. colichimera and intrastrand DNA cross-links
Authors: Copp William , O'Flaherty Derek K. , Wilds Christopher J.
Published: November 2018

Intrastrand crosslinked DNA has been shown to react with an AGT variant to produce well-defined protein–DNA conjugates.
Synthesis of fluoroalkylated alkynesviavisible-light photocatalysis
Authors: Iqbal Naila , Iqbal Naeem , Han Sung Su , Cho Eun Jin
Published: November 2018

Fluoroalkylated alkynes, which are versatile building blocks for the synthesis of various biologically active organofluorine compounds, were synthesized from easily available alkynyl halides and fluoroalkyl halides by visible-light photocatalysis.
Aqueous cationic homo- and co-polymerizations of β-myrcene and styrene: a green route toward terpene-based rubbery polymers
Authors: Hulnik Maksim I. , Vasilenko Irina V. , Radchenko Alexei V. , Peruch Frédéric , Ganachaud Francois , Kostjuk Sergei V.
Published: November 2018

A green and cost-efficient approach for the synthesis of bio-based poly(β-myrcene) and poly(β-myrcene-co-styrene) via emulsion cationic polymerization is developed.
Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds
Authors: Li Jia , Luo Man , Sheng Xingchao , Hua Haiming , Yao Weiwei , Pullarkat Sumod A. , Xu Li , Ma Mengtao
Published: November 2018

A series of unsymmetrical magnesium(i) complexes have been synthesized and used as highly active pre-catalysts for various hydroboration reactions.
Selective carbonylation of benzene to benzaldehyde using a phosphorus–nitrogen PN3P–rhodium(i) complex
Authors: Zhou Chunhui , Hu Jinsong , Wang Yuan , Yao Changguang , Chakraborty Priyanka , Li Huaifeng , Guan Chao , Huang Mei-Hui , Huang Kuo-Wei
Published: November 2018

A PN3P–Rh(i) complex realizes the selective carbonylation of benzene to benzaldehyde without irradiation.
Nucleophile-controlled mono- and bis-phosphonation of amino-2-en-1-ones via catalyst-free C(sp3)–N bond cleavage
Authors: Huang Ling , Zhang Zhebin , Jie Kun , Wang Yufeng , Fu Zhengjiang , Guo Shengmei , Cai Hu
Published: November 2018

Selective mono- and bis-phosphonation of amino-2-en-1-ones without a catalyst is developed. The selectivity is controlled by the nucleophilicity of the phosphorus sources.
Retracted Article: PVT1 depletion protects cartilage ATDC5 cells against LPS-induced inflammatory injury by regulating the miR-24/ADAMTS5 axis
Authors: Li Wenjun , Liu Gejun , Wu Xing
Published: November 2018

Osteoarthritis is a common chronic arthritis among adults and cartilage dysfunction is largely responsible for osteoarthritis development.
Universally applicable, quantitative PCR method utilizing fluorescent nucleobase analogs
Authors: Kim Hyo Yong , Li Taihua , Jung Cheulhee , Fu Rongzhan , Cho Dae-Yeon , Park Ki Soo , Park Hyun Gyu
Published: November 2018

A novel quantitative PCR (qPCR) method was developed by utilizing a unique property of fluorescent nucleobase analogs (PdCs).
UCN–SiO2–GO: a core shell and conjugate system for controlling delivery of doxorubicin by 980 nm NIR pulse
Authors: Paik Pradip , Kumar K. Santhosh , Modak Monami Das , Kumar U Koushi , Maity Somedutta
Published: November 2018

A GO–UCN–SiO2 hybrid nanocomposite for loading of doxorubicin and its use in in vitro efficiency for killing carcinoma cells.
Synthesis and characterization of sulfur-containing hybrid materials based on sodium silicate
Authors: Dudarko O. A. , Barany S.
Published: November 2018

Hybrid Si(CH2)3SH–SBA-15 and Si(CH2)3SO3H–SBA-15 silicas were obtained with developed specific surface area and an effective pore diameter of 3.5–5.7 nm.
Cobalt immobilized on hydroxyapatite as a low-cost and highly effective heterogeneous catalyst for alkenes epoxidation under mild conditions
Authors: Mekrattanachai Pagasukon , Cao Changyan , Li Zhaohua , Li Huining , Song Weiguo
Published: November 2018

Transition metal Co immobilized on hydroxyapatite even with low loading of 0.05 wt% is a low-cost and highly effective heterogeneous catalyst for alkenes epoxidation at 30 °C with O2 and iso-butyraldehyde as co-oxidant.
An iodine/DMSO-catalyzed sequential one-pot approach to 2,4,5-trisubstituted-1H-imidazoles from α-methylene ketones
Authors: Jayram Janeeka , Jeena Vineet
Published: November 2018

A sequential one-pot approach to 2,4,5-trisubstituted imidazoles has been developed from α-methylene ketones and aldehydes.
One-pot synthesis of biodegradable polydopamine-doped mesoporous silica nanocomposites (PMSNs) as pH-sensitive targeting drug nanocarriers for synergistic chemo-photothermal therapy
Authors: Zhang Huicong , Wang Xuandong , Wang Peiyuan , Liu Rong , Hou Xuemei , Cao Wei , Zhong Rong , Liu Xiaolong , Zhang Yun
Published: November 2018

Polydopamine-doped mesoporous silica nanocomposites (PMSNs) were controllably synthesized by a one-pot approach. They were demonstrated to be good biodegradability, pH-responsive drug release and targeting synergistic chemo-photothermal therapy.
Optimized NiCo2O4/rGO hybrid nanostructures on carbon fiber as an electrode for asymmetric supercapacitors
Authors: Jiang Hui , Yang Kang , Ye Pingwei , Huang Qiang , Wang Lingyun , Li Sumin
Published: November 2018

The NiCo2O4 nanowires and rGO hybrid nanostructure was constructed on carbon fibers (NiCo2O4/rGO/CF) via a hydrothermal method.
Novel nanoporous covalent organic frameworks for the selective extraction of endogenous peptides
Authors: Zhang Xiaofei , Qing Guangyan , Yu Long , Kang Hongjian , Chen Cheng , Li Xiuling , Liang Xinmiao
Published: November 2018

Endogenous peptides are important biomarkers, but their low abundance and abundant interference in biosamples impede their analysis.
Synthesis of novel 1,2,4-thiadiazinane 1,1-dioxidesviathree component SuFEx type reaction
Authors: Khumalo Mzilikazi F. , Akpan Ekemini D. , Chinthakindi Praveen K. , Brasil Edikarlos M. , Rajbongshi Kamal K. , Makatini Maya M. , Govender Thavendran , Kruger Hendrik G. , Naicker Tricia , Arvidsson Per I.
Published: November 2018

Herein, we report the preparation of 1,2,4-thiadiazinane 1,1-dioxides from reaction of β-aminoethane sulfonamides with dichloromethane, dibromomethane and formaldehyde as methylene donors.
Broadband ultraviolet to near infrared conversion in Eu2+,Nd3+ co-doped SrAl2O4
Authors: Tai Yuping , Pan Bingli , Li Xinzhong , Nie Zhaogang , Du Xigang , Yuan Guanghui
Published: November 2018

In this study, we investigated the quantum cutting (QC) mechanism in Eu2+–Nd3-co-doped SrAl2O4 microcrystals by fluorescence spectroscopy and decay lifetime analysis.
Ink-injected dual-band antennas based on graphene flakes, carbon nanotubes and silver nanowires
Authors: Qiu Haochuan , Liu Houfang , Jia Xiufeng , Liu Xiao , Li Yuxing , Jiang Tianyu , Xiong Benkuan , Yang Yi , Ren Tian-ling
Published: November 2018

Dual-band meander line antennas for radio location and 5G are successfully demonstrated with carbon nanotubes, graphene flakes and Ag nanowires.
Physicochemical characterisation of reduced graphene oxide for conductive thin films
Authors: Legge Elizabeth J. , Ahmad Muhammad , Smith Christopher T. G. , Brennan Barry , Mills Christopher A. , Stolojan Vlad , Pollard Andrew J. , Silva S. Ravi P.
Published: November 2018

We introduce a combined process for the reduction of graphene oxide (GO) via vitamin C (ascorbic acid) and thermal annealing.
Three dimensional composites of graphene as supports in Pd-catalyzed synthetic applications
Authors: Yang Yuan , Gilliland Stanly E. , Ghobadi Sajjad , Burkholder Michael , Smith Sarah E. , Gupton B. Frank , Castano Carlos E.
Published: November 2018

A facile solid-state method to synthesize a highly active and recyclable Pd catalyst of 3D supports made of Ni, G and, CNTs for Suzuki reaction and C–H activation is presented.
Atomically precise Au144(SR)60 nanoclusters (R = Et, Pr) are capped by 12 distinct ligand types of 5-fold equivalence and display gigantic diastereotopic effects
Authors: Dainese Tiziano , Agrachev Mikhail , Antonello Sabrina , Badocco Denis , Black David M. , Fortunelli Alessandro , Gascón José A. , Stener Mauro , Venzo Alfonso , Whetten Robert L. , Maran Flavio
Published: November 2018

Short-thiolate-protected Au144(SR)60 clusters are capped by 12 distinct ligand types of 5-fold equivalence.
Transforming presumptive forensic testing: in situ identification and age estimation of human bodily fluids
Authors: Rankin-Turner Stephanie , Turner Matthew A. , Kelly Paul F. , King Roberto S. P. , Reynolds James C.
Published: November 2018

A new method utilising an in situ sampling probe coupled with mass spectrometry for rapid identification and age estimation of biofluids.
Nickel-catalyzed allylic defluorinative alkylation of trifluoromethyl alkenes with reductive decarboxylation of redox-active esters
Authors: Lu Xi , Wang Xiao-Xu , Gong Tian-Jun , Pi Jing-Jing , He Shi-Jiang , Fu Yao
Published: November 2018

Synthesis of functionalized gem-difluoroalkenes was achieved through nickel-catalyzed allylic defluorinative alkylation of trifluoromethyl alkenes with reductive decarboxylation of redox-active esters.
Synthesis, crystal structure, and ionic conductivity of hydride ion-conducting Ln2LiHO3 (Ln = La, Pr, Nd) oxyhydrides
Authors: Iwasaki Yuki , Matsui Naoki , Suzuki Kota , Hinuma Yoyo , Yonemura Masao , Kobayashi Genki , Hirayama Masaaki , Tanaka Isao , Kanno Ryoji
Published: November 2018

Hydride ion (H−)-conducting solids could contribute to the development of novel electrochemical devices using unique H− conduction phenomena.
Recent developments of phosphorus-based anodes for sodium ion batteries
Authors: Li Zhaolin , Zhao Hailei
Published: November 2018

This review summarizes the recent progress in the Na storage mechanism, preparation, challenges and solutions of phosphorus-based anode materials for sodium ion batteries.
Highly efficient planar perovskite solar cells achieved by simultaneous defect engineering and formation kinetic control
Authors: Cheng Jiaqi , Zhang Hong , Zhang Shaoqing , Ouyang Dan , Huang Zhanfeng , Nazeeruddin Mohammad Khaja , Hou Jianhui , Choy Wallace C. H.
Published: November 2018

Incorporation of non-fullerene acceptor into perovskite precursor solution is demonstrated to form high-quality perovskite films with low defect concentrations. The power conversion efficiency of low-temperature processed perovskite solar cells is improved up to 20.10%.
Tulip-like MoS2 with a single sheet tapered structure anchored on N-doped graphene substrates via C–O–Mo bonds for superior sodium storage
Authors: Wang Tian , Shen Xuetao , Huang Jianfeng , Xi Qiao , Zhao Yixing , Guo Qiang , Wang Xing , Xu Zhanwei
Published: November 2018

Tulip-like MoS2 with a single sheet tapered structure anchored on N-doped graphene substrates via C–O–Mo bonds shows excellent capacity retention for sodium storage.
CO2 electrolysis in seawater: calcification effect and a hybrid self-powered concept
Authors: Lee Chong-Yong , Wallace Gordon G.
Published: November 2018

CO2 electroreduction in naturally abundant seawater is examined, and a self-powered CO2 electrolysis concept is demonstrated.
Endothelial mimetic multifunctional surfaces fabricatedviapolydopamine mediated copper immobilization
Authors: Li Xin , Shen Fangyu , Wang Kebing , Lin Shuang , Zhou Lei , Chen Si , Wang Jin , Huang Nan
Published: November 2018

Nitric oxide (NO), which is continuously released from the normal healthy endodermis cell layer of the vascular system, plays a crucial role in the stability and health maintenance of blood vessels.
Super-strong and tough poly(vinyl alcohol)/poly(acrylic acid) hydrogels reinforced by hydrogen bonding
Authors: Liu Tianqi , Jiao Chen , Peng Xin , Chen Ya-Nan , Chen Yuanyuan , He Changcheng , Liu Ruigang , Wang Huiliang
Published: November 2018

Super-strong and tough poly(vinyl alcohol)/poly(acrylic acid) hydrogels based on hydrogen bonding are prepared by the strategy of immersing and cold-drawing.
A twisted phenanthroimidazole based molecule with high triplet energy as a host material for high efficiency phosphorescent OLEDs
Authors: Li Chenglong , Li Zhiqiang , Liang Jixiong , Luo Hao , Liu Yu , Wei Jinbei , Wang Yue
Published: November 2018

A twisted phenanthroimidazole-based host material with high triplet energy has been designed and synthesized for high efficiency green phosphorescence OLEDs.
Beyond SiOx: an active electronics resurgence and biomimetic reactive oxygen species production and regulation from mitochondria
Authors: Chang Yao-Feng , Fowler Burt , Chen Ying-Chen , Lin Chih-Yang , Xu Gaobo , Huang Hui-Chun , Chen Jia , Kim Sungjun , Li Yi , Lee Jack C.
Published: November 2018

We explore overcoming the non-oxidizing environment requirement issues in silicon oxide (SiOx) based memristors and investigate potential next steps for use of SiOxas a memristor material.