bluuebunny/crossref_metadata_2025 huggingface dataset:
Effects of cognitive and motor dual-tasks on oropharyngeal swallowing assessed with FEES in healthy individuals
Authors: Muhle Paul , Claus Inga , Labeit Bendix , Ogawa Mao , Dziewas Rainer , Suntrup-Krueger Sonja , Warnecke Tobias
Published: November 2020

Dysphagia is frequent in many neurological diseases and gives rise to severe complications such as malnutrition, dehydration and aspiration pneumonia. Therefore, early detection and management of dysphagia is essential and can reduce mortality. This study investigated the effect of cognitive and motor dual-task interference on swallowing in healthy participants, as dual-task effects are reported for other motor tasks such as gait and speech. 27 participants (17 females; 29.2 ± 4.1 years) were included in this prospective study and examined using flexible endoscopic evaluation of swallowing (FEES). Using a previously established FEES-based score, the paradigms “baseline swallowing”, “cognitive dual-task” and “motor dual-task” were assessed. Scores of the three paradigms were compared using a repetitive measures ANOVA and post-hoc analysis. Mean baseline swallowing score in single task was 5 ± 3. It worsened to 6 ± 5 in the cognitive (p = 0.118), and to 8 ± 5 in the motor dual-task condition (p < 0.001). This change was driven by subclinical worsening of premature bolus spillage and pharyngeal residue. Oropharyngeal swallowing is not exclusively reflexive in nature but requires attention, which leads to motor dual-task interference. This has potential diagnostic and therapeutic implications, e.g. in the early screening for dysphagia or in avoiding dual-task situations while eating.
Gestational weight gain and foetal acidosis in vaginal and caesarean deliveries: The Japan Environment and Children’s Study
Authors: Murata Tsuyoshi , Kyozuka Hyo , Yamaguchi Akiko , Fukuda Toma , Yasuda Shun , Sato Akiko , Ogata Yuka , Shinoki Kosei , Hosoya Mitsuaki , Yasumura Seiji , Hashimoto Koichi , Nishigori Hidekazu , Fujimori Keiya ,   The Japan Environment, Children’s Study (JECS) Group, Kamijima Michihiro , Yamazaki Shin , Ohya Yukihiro , Kishi Reiko , Yaegashi Nobuo , Mori Chisato , Ito Shuichi , Yamagata Zentaro , Inadera Hidekuni , Nakayama Takeo , Iso Hiroyasu , Shima Masayuki , Kurozawa Youichi , Suganuma Narufumi , Kusuhara Koichi , Katoh Takahiko
Published: November 2020

Inappropriate gestational weight gain (GWG), either above or below the recommended values, has been associated with an increased risk of adverse obstetric outcomes. To evaluate the risks of GWG for foetal acidosis according to pre-pregnancy body mass index (BMI) and mode of delivery, we analysed women with singleton pregnancies between 2011 and 2014 in the Japan Environment and Children’s Study. Participants (n = 71,799) were categorised according to pre-pregnancy BMI. GWG was categorised into insufficient, appropriate, or excessive. Foetal acidosis was defined as umbilical artery pH (UmA-pH) < 7.20 or < 7.10. Multiple logistic regressions were performed for each BMI category to identify the risks of GWG for foetal acidosis, accounting for the mode of delivery. Excessive GWG was significantly associated with increased foetal acidosis in overweight women and in women whose pre-pregnancy BMI was 23.0–25.0 kg/m2 especially in those with vaginal deliveries. Conversely, excessive GWG was not significantly associated with increased foetal acidosis in obese women and in women whose pre-pregnancy BMI was  ≥ 25.0 kg/m2.
Lithocholic bile acid induces apoptosis in human nephroblastoma cells: a non-selective treatment option
Authors: Trah Julian , Arand Jonas , Oh Jun , Pagerols-Raluy Laia , Trochimiuk Magdalena , Appl Birgit , Heidelbach Hannah , Vincent Deirdre , Saleem Moin A. , Reinshagen Konrad , Mühlig Anne K. , Boettcher Michael
Published: November 2020

Lithocholic bile acid (LCA) has been reported to selectively kill cancer cells within many tumor cell lines including neuroblastoma or glioblastoma. Wilms’ tumor shares similarities with neuro- and glioblastoma. Hence, the aim of the study was to evaluate the effects of LCA on nephroblastoma. To test the effects of LCA, nephroblastoma cell line WT CLS1 was used. SK NEP1 was tested as well. It was originally classified as a nephroblastoma cell line but was meanwhile reclassified as an ewing sarcoma cell line. As control cell lines HEK 293 from embryonic kidney and RC 124 from adult kidney tissue as well as podocytes were used. The effects were evaluated using proliferation assay, caspase activity assay, FACS and Western blot. LCA showed a dose and time-dependent selective effect inducing apoptosis in nephroblastoma cells. However, these effects were not limited to the nephroblastoma cell line but also affected control kidney cell lines and the sarcoma cells; only podocytes are significantly less affected by LCA (at dosages < 200 µm). There were no significant differences regarding the TGR5 receptor expression. The study showed that LCA has a strong, yet unselective effect on all used in vitro cell-lines, sparing the highly differentiated podocytes in lower concentrations. Further studies are needed to verify our results before dismissing LCA as an anti-cancer drug.
A virtual experimenter does not increase placebo hypoalgesia when delivering an interactive expectancy manipulation
Authors: Horing Bjoern , Beadle Sarah C. , Inks Zachariah , Robb Andrew , Muth Eric R. , Babu Sabarish V.
Published: November 2020

Lack of standardization and unblinding threaten the research of mechanisms involved in expectancy effects on pain. We evaluated a computer-controlled virtual experimenter (VEx) to avoid these issues. Fifty-four subjects underwent a baseline-retest heat pain protocol. Between sessions, they received an expectancy manipulation (placebo or no-treatment) delivered by VEx or text-only control condition. The VEx provided standardized “social” interaction with the subjects. Pain ratings and psychological state/trait measures were recorded. We found an interaction of expectancy and delivery on pain improvement following the intervention. In the text conditions, placebo was followed by lower pain, whereas in the VEx conditions, placebo and no-treatment were followed by a comparable pain decrease. Secondary analyses indicated that this interaction was mirrored by decreases of negative mood and anxiety. Furthermore, changes in continuous pain were moderated by expectation of pain relief. However, retrospective pain ratings show an effect of expectancy but not of delivery. We conclude that we successfully applied an automated protocol for inducing expectancy effects on pain. The effect of the VEx regardless of treatment may be due to interactions of attention allocation and locus of control. This points to the diversity of expectancy mechanisms, and has implications for research and computer-based treatment applications.
Effect of silver nanoparticles and Bacillus cereus LPR2 on the growth of Zea mays
Authors: Kumar Pankaj , Pahal Vikas , Gupta Arti , Vadhan Ruchi , Chandra Harish , Dubey Ramesh Chandra
Published: November 2020

The effect of Plant Growth Promoting Rhizobacteria (Bacillussp.) and silver nanoparticles onZea mayswas evaluated. The silver nanoparticles were synthesized fromTagetes erecta(Marigold) leaf and flower extracts, whereas PGPR isolated from spinach rhizosphere. The silver nanoparticles (AgNPs) were purified using ultra centrifugation and were characterized using UV–Vis spectroscopy at gradient wavelength and also by High Resolution Transmission Electron microscopy (HRTEM). The average particles size of AgNPs was recorded approximately 60 nm. Almost all potential isolates were able to produce Indole Acetic Acid (IAA), ammonia and Hydrogen cyanide (HCN), solubilized tricalcium phosphate and inhibited the growth ofMacrophomina phaseolinain vitro but the isolate LPR2 was found the best among all. On the basis of 16S rRNA gene sequence, the isolate LPR2 was characterized asBacillus cereusLPR2. The maize seeds bacterized with LPR2 and AgNPs individually showed a significant increase in germination (87.5%) followed by LPR2 + AgNPs (75%). But the maximum growth of root and shoot of maize plant was observed in seeds coated with LPR2 followed by AgNPs and a combination of both.Bacillus cereusLPR2 and silver nanoparticles enhanced the plant growth and LPR2 strongly inhibited the growth of deleterious fungal pathogen. Therefore, LPR2 and AgNPs could be utilized as bioinoculant and growth stimulator, respectively for maize.
Virtual screening of anti-HIV1 compounds against SARS-CoV-2: machine learning modeling, chemoinformatics and molecular dynamics simulation based analysis
Authors: Nand Mahesha , Maiti Priyanka , Joshi Tushar , Chandra Subhash , Pande Veena , Kuniyal Jagdish Chandra , Ramakrishnan Muthannan Andavar
Published: November 2020

COVID-19 caused by the SARS-CoV-2 is a current global challenge and urgent discovery of potential drugs to combat this pandemic is a need of the hour. 3-chymotrypsin-like cysteine protease (3CLpro) enzyme is the vital molecular target against the SARS-CoV-2. Therefore, in the present study, 1528 anti-HIV1compounds were screened by sequence alignment between 3CLpro of SARS-CoV-2 and avian infectious bronchitis virus (avian coronavirus) followed by machine learning predictive model, drug-likeness screening and molecular docking, which resulted in 41 screened compounds. These 41 compounds were re-screened by deep learning model constructed considering the IC50 values of known inhibitors which resulted in 22 hit compounds. Further, screening was done by structural activity relationship mapping which resulted in two structural clefts. Thereafter, functional group analysis was also done, where cluster 2 showed the presence of several essential functional groups having pharmacological importance. In the final stage, Cluster 2 compounds were re-docked with four different PDB structures of 3CLpro, and their depth interaction profile was analyzed followed by molecular dynamics simulation at 100 ns. Conclusively, 2 out of 1528 compounds were screened as potential hits against 3CLpro which could be further treated as an excellent drug against SARS-CoV-2.
Clinical impact of EZH2 and its antagonist SMARCA4 in ovarian cancer
Authors: Leitner Katharina , Tsibulak Irina , Wieser Verena , Knoll Katharina , Reimer Daniel , Marth Christian , Fiegl Heidi , Zeimet Alain G.
Published: November 2020

SMARCA4 and EZH2 are two functional key players of their respective antagonizing chromatin remodeling complexes SWI/SNF and PRC2. EZH2 inhibitory drugs may abrogate pro-oncogenic features of PRC2 and turn the balance to cell differentiation via SWI/SNF activity in cancers. SMARCA4 and EZH2 expression was assessed by RT-PCR in 238 epithelial ovarian cancers (OCs) and put in relation to clinico-pathological parameters and patients’ outcome. Optimal thresholds for high and low expression of both variables were calculated by the Youden’s index based on receiver operating characteristic (ROC) curves. High SMARCA4 mRNA expression was independently associated with favorable progression-free survival (PFS) (P = 0.03) and overall survival (OS) (P = 0.018). As Youden’s threshold determination for EZH2 yielded a S-shaped ROC-curve, two cut-off points (29th and 94th percentile) predicting opposite features were defined. Whereas EZH2 mRNA levels beyond the 29th percentile independently predicted poor PFS (P = 0.034), Cox-regression in EZH2 transcripts above the 94th percentile revealed a conversion from unfavorable to favorable PFS and OS (P = 0.009 and P = 0.032, respectively). High SMARCA4 expression associates with improved survival, whereas moderate/high EZH2 expression predicts poor outcome, which converts to favorable survival in ultra-high expressing OCs. This small OC subgroup could be characterized by REV7-abrogated platinum hypersensitivity but concomitant PARP-inhibitor resistance.
The 1995-2018 global evolution of the network of amicable and hostile relations among nation-states
Authors: Askarisichani Omid , Singh Ambuj K. , Bullo Francesco , Friedkin Noah E.
Published: November 2020

There has been longstanding interest in the evolution of positive and negative relationships among countries. An interdisciplinary field of study, Structural Balance Theory, has developed on the dynamics of such appraisal systems. However, the advancement of research in the field has been impeded by the lack of longitudinal empirical data on large-scale networks. We construct the networks of international amicable and hostile relations occurring in specific time-periods in order to study the global evolution of the network of such international appraisals. Here we present an empirical evidence on the alignment of Structural Balance Theory with the evolution of the structure of this network, and a model of the probabilistic micro-dynamics of the alterations of international appraisals during the period 1995-2018. Also remarkably, we find that the trajectory of the Frobenius norm of sequential transition probabilities, which govern the evolution of international appraisals among nations, dramatically stabilizes.
NMR of soft matter systems
Authors: Wallace Matthew , Khimyak Yaroslav
Published: November 2020

This chapter summarises recent advances in solution, HR-MAS and solid-state NMR techniques to study the structure and dynamics of soft matter. NMR enjoys widespread use in the analysis of gels, liquid crystals, polymer solutions and surfactants. Rather than focus on each class of soft matter in turn, this chapter is instead arranged in terms of the NMR techniques themselves in the hope of stimulating the translation of methodologies between the traditional branches of soft matter science. Original research articles published between January 2015 and March 2020 are discussed.
NMR in living systems
Authors: Prior M. J. W.
Published: November 2020

This chapter reviews studies that have applied magnetic resonance spectroscopy to investigations of the processes occurring in living systems. In Section 1, new hardware, acquisition methods and analytical processes that are applicable to in vivo investigations are presented. Studies in animal models and the clinical environment are surveyed in Sections 2 and 3 respectively. The review in both these two sections is subdivided into physiological categories, with each of these sub-divided according to the category of disease or the type of metabolic investigation.
Spatiotemporal spectroscopic characterization of plasmas induced by non-orthogonal laser ablation
Authors: Képeš Erik , Gornushkin Igor , Pořízka Pavel , Kaiser Jozef
Published: November 2020

Plasmas induced with large ablation angles are less temporally stable and less spatially homogenous, which should be considered during quantitative analysis by laser-induced breakdown spectroscopy.
Electrochemical determination of thiabendazole pesticide extracted and preconcentrated from tomato samples by cloud point extraction
Authors: Caixeta-Neta Antonia , Ribeiro Gabriela C. , De Amorim Kamila P. , Andrade Leonardo S.
Published: November 2020

TBZ was identified and detected in the analysis of commercial tomato samples obtained from local establishment.
Direct catalytic synthesis of β-(C3)-substituted pyrroles: a complementary addition to the Paal–Knorr reaction
Authors: Pawar Amol Prakash , Yadav Jyothi , Mir Nisar Ahmad , Iype Eldhose , Rangan Krishnan , Anthal Sumati , Kant Rajni , Kumar Indresh
Published: November 2020

Direct catalytic multicomponent synthesis of β-(C3)-substituted pyrroles is developed with good to high yields, using aqueous succinaldehyde, primary amines, and isatins under mild conditions. An access to the β-substituted free NH-pyrrole is the main focus of the work along with DFT-calculations.
Self-assembly of alkylated and perfluoroalkylated scissor-shaped azobenzene dyads into distinct structures
Authors: Arima Hironari , Saito Takuho , Kajitani Takashi , Yagai Shiki
Published: November 2020

Two scissor-shaped azobenzene dyads bearing either linear alkyl or perfluoroalkyl side chains undergo distinct assembly pathways.
Pentanuclear clusters resembling the cubane-dangler connectivity in the native oxygen-evolving center of photosystem II
Authors: Yang Chao , Wang Shenyu , Sai Fusheng , Liu Dingqi , Sun Fuxing , Gu Yu , Wu Gang
Published: November 2020

A series of pentametallic “cubane-plus-dangler” complexes that are structurally reminiscent of the oxygen evolving center of photosystem II have been target synthesized.
Nonlayered 2D ultrathin molybdenum nitride synthesized through the ammonolysis of 2D molybdenum dioxide
Authors: Wang Yuqiao , Jian Chuanyong , Hong Wenting , Liu Wei
Published: November 2020

We report a new approach for the synthesis of 2D ultrathin MoN through ammonolysis of MoO2 nanosheets on a SiO2/Si substrate.
Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties
Authors: Song Xue-Qin , Xia Xue-Li , Song Fu-Qiang , Liu Guo-Hua , Wang Li
Published: November 2020

Three types of heterometallic species including metal clusters and a metal macrocycle have been developed by tuning the coordination behavior of a new asymmetric ligand with metal cations and anions.
Few-layered CuInP2S6nanosheet with sulfur vacancy boosting photocatalytic hydrogen evolution
Authors: Yu Peng , Wang Fengmei , Meng Jun , Shifa Tofik Ahmed , Sendeku Marshet Getaye , Fang Ju , Li Shuxian , Cheng Zhongzhou , Lou Xiaoding , He Jun
Published: November 2020

Uniform few-layered CuInP2S6nanosheets and microsheets were initially synthesized and utilized as photocatalysts towards photocatalytic hydrogen generation.
Isolation of hydrazine oxidation products via halogen bonding: C–I bond scission and crystal polymorphism
Authors: Peloquin Andrew J. , Kobra Khadijatul , McMillen Colin D. , Iacono Scott T. , Pennington William T.
Published: November 2020

Reaction of methyl- or 1,1-dimethylhydrazine and iodofluorobenzenes yield cocrystals of sym-hexahydro-1,4-dimethyltetrazine or tetramethylammonium iodide (NMe4I) respectively, being polymorphic or of varying stoichiometry to those direct from NMe4I.
Transformation of a graphene nanoribbon into a hybrid 1D nanoobject with alternating double chains and polycyclic regions
Authors: Sinitsa Alexander S. , Lebedeva Irina V. , Polynskaya Yulia G. , de Oteyza Dimas G. , Ratkevich Sergey V. , Knizhnik Andrey A. , Popov Andrey M. , Poklonski Nikolai A. , Lozovik Yurii E.
Published: November 2020

Molecular dynamics simulations show that a graphene nanoribbon with alternating one- and three-hexagon wide regions can transform into a hybrid 1D nanoobject with alternating double chains and polycyclic regions under electron irradiation in HRTEM.
Effect of the charge state on the structure of the Au60 cluster
Authors: Jacobo-Fernández Jimena M. , Tlahuice-Flores A.
Published: November 2020

A DFT-D study of the neutral and charged Au60 cluster featuring hollow and compact-like structures respectively.
Unraveling the real active sites of an amorphous silica–alumina-supported nickel catalyst for highly efficient ethylene oligomerization
Authors: Xu Jinghua , Wang Ruifeng , Zheng Lirong , Ma Junguo , Yan Wenjun , Yang Xiaofeng , Wang Junying , Su Xiong , Huang Yanqiang
Published: November 2020

The Ni+ species in a heterogeneous N2-pretreated amorphous silica–alumina-supported nickel catalyst acted as the active sites for ethylene oligomerization.
Effects of Hsian-tsao (Mesona procumbensHemsl.) extracts and its polysaccharides on the promotion of wound healing under diabetes-like conditions
Authors: Fan Siao-Ling , Lin Jer-An , Chen Sheng-Yi , Lin Jia-Hong , Lin Hsin-Tang , Chen Ying-Yin , Yen Gow-Chin
Published: November 2020

Hsian-tsao extracts and its polysaccharides accelerate wound healing in cell models and diabetic mice.
Maternal organic selenium supplementation during gestation improves the antioxidant capacity and reduces the inflammation level in the intestine of offspring through the NF-κB and ERK/Beclin-1 pathways
Authors: Mou Daolin , Ding Dajiang , Yang Min , Jiang Xuemei , Zhao Lianpeng , Che Lianqiang , Fang Zhengfeng , Xu Shengyu , Lin Yan , Zhuo Yong , Li Jian , Huang Chao , Zou Yuanfeng , Li Lixia , Wu De , Feng Bin
Published: November 2020

Maternal HMSeBA supplementation during gestation improves offspring's intestinal antioxidant capacity and reduces the intestinal inflammation level by suppressing NF-κB and ERK/Beclin-1 signaling.
Efficient and accessible silane-mediated direct amide coupling of carboxylic acids and amines
Authors: D'Amaral Melissa C. , Jamkhou Nick , Adler Marc J.
Published: November 2020

A highly practical method for the direct coupling of amines and unactivated carboxylic acids to form amides.
The role of matrix in the evaluation of analytical parameters for trace determinations using TXRF spectrometry
Authors: Dhara Sangita
Published: November 2020

The matrix plays a very crucial role in trace determinations, as it affects various analytical parameters if it is not properly evaluated.
Dynamic pneumatic rails enabled microdroplet manipulation
Authors: Zhang Renchang , Gao Chang , Tian Lu , Wang Ronghang , Hong Jie , Gao Meng , Gui Lin
Published: November 2020

This study presented a convenient method of gathering, splitting, merging, and sorting microdroplets by dynamic pneumatic rails in double-layered microfluidic devices.
Single-cell microfluidic impedance cytometry: from raw signals to cell phenotypes using data analytics
Authors: Honrado Carlos , Bisegna Paolo , Swami Nathan S. , Caselli Federica
Published: November 2020

Review of chip designs and data analytics to stratify heterogeneity in cellular systems via microfluidic impedance cytometry.
Accelerating innovation and commercialization through standardization of microfluidic-based medical devices
Authors: Reyes Darwin R. , van Heeren Henne , Guha Suvajyoti , Herbertson Luke , Tzannis Alexios P. , Ducrée Jens , Bissig Hugo , Becker Holger
Published: November 2020

Worldwide, the microfluidics industry has grown steadily over the last 5 years, with the market for microfluidic medical devices experiencing a compound growth rate of 22%.
Investigation of biological activity of 2,3-disubstituted quinazolin-4(1H)-ones against Mycobacterium tuberculosis and DNA via docking, spectroscopy and DFT studies
Authors: Kumar C. B. Pradeep , Raghu M. S. , Prasad K. N. N. , Chandrasekhar S. , Jayanna B. K. , Alharthi Fahad A. , Prashanth M. K. , Kumar K. Yogesh
Published: November 2020

Docking studies, structural data of DNA binding and molecular dynamics simulations of substituted quinazolin-4(1H)-ones.
Self-assembly of zirconocene-based metal–organic capsules: the structure, luminescence sensing of Fe3+ and iodine capture
Authors: Chen Siyuan , Cheng Shuangjing , Zhao Liang , Sun Chunyi , Qin Chao , Su Zhongmin
Published: November 2020

Three new nanosized Zr-based MCs were synthesized under solvothermal conditions with excellent selectivity for luminescence sensing of Fe3+ and high performance for I2 sorption and release.
Experimental and theoretical investigation of the photothermal effect in gold nanorods
Authors: Abareshi Afsaneh , Arshadi Pirlar Maghsoud , Houshiar Mahboubeh
Published: November 2020

In this work, gold nanorods (GNRs) were synthesized using a seed-mediated route and their photothermal properties were investigated experimentally as well as theoretically.
Tuning the donating strength of dye sensitizers using molecular electrostatic potential analysis
Authors: Divya Velayudhan V. , Suresh Cherumuttathu H.
Published: November 2020

The significance of electron releasing groups at the donors of D–π–A systems for improving the donating strength and power conversion efficiency of photosensitizers.
Theoretical study of chloride complexes with hybrid macrocycles
Authors: Silva Éder Henrique da , Orenha Renato Pereira , Muñoz-Castro Alvaro , Caramori Giovanni Finoto , Colaço Matheus Cachoeira , Silva Graziele Capatto Guerra , Parreira Renato Luis Tame
Published: November 2020

Macrocycle receptors are investigated from DFT calculations to simultaneously recognize two Cl− anions, which show several applications in the environment.
Polyaniline@MOF fiber derived Fe–Co oxide-based high performance electrocatalyst
Authors: Sha Qiqi , Wang Jianrong , Lu Yizhong , Zhao Zhenlu
Published: November 2020

Electrochemical energy conversion and storage are important and coupled with a number of electrocatalytic processes.
Wettability-defined droplet imbibition in ceramic mesopores
Authors: Khalil Adnan , Schäfer Felix , Postulka Niels , Stanzel Mathias , Biesalski Markus , Andrieu-Brunsen Annette
Published: November 2020

Water imbibition in mesoporous silica thin films in dependence of precisely adjusted wetting propertied is observed from top and side.
Photo-electrical properties of 2D quantum confined metal–organic chalcogenide nanocrystal films
Authors: Maserati Lorenzo , Prato Mirko , Pecorario Stefano , Passarella Bianca , Perinot Andrea , Thomas Anupa Anna , Melloni Filippo , Natali Dario , Caironi Mario
Published: November 2020

[AgSePh]∞ is a metal–organic chalcogenide material featuring hybrid quantum wells electronic structure. Photo-generated charge carriers can be extracted by metal contacts, enabling efficient UV photo-detection.
Step-growth polymerisation of alkyl acrylates via concomitant oxa-Michael and transesterification reactions
Authors: Ratzenböck Karin , Pahovnik David , Slugovc Christian
Published: November 2020

An auto-tandem catalytic approach towards the preparation of poly(ester–ether)s from simple alkyl acrylates and diols is introduced.
Confined supramolecular polymers in water with exceptional stability, photoluminescence and chiroptical properties
Authors: Mukherjee Anurag , Pal Deep Sankar , Kar Haridas , Ghosh Suhrit
Published: November 2020

Lipid-encased chiral supramolecular polymer nanorods (SPNRs), synthesized by the nanoprecipitation method in water from a hydrophobic naphthalene-diimide derivative, exhibit excellent thermal stability, intense fluorescence and strong CPL.
Self-polymerization of Meldrum's acid-amine compounds: an effective route to polyamides
Authors: Huang Chien-Ho , Liu Ying-Ling
Published: November 2020

Meldrum's acid-amine compounds are effective monomers for the synthesis of linear and hyperbranched polyamides in a short reaction time under mild reaction conditions.
Visualization of the self-healing process by directly observing the evolution of fluorescence intensity
Authors: Shen Qiaoqiao , Liu Hui , Peng Yan , Zheng Jing , Wu Jinrong
Published: November 2020

A fluorophore (TC1) with strong aggregation-caused quenching (ACQ) effect was incorporated into a self-healing elastomer with a dynamic hydrogen-bonded network, the subtle change induced by mechanical damage and self-healing could be detected by CLSM.
Synthesis, aqueous solution behavior and self-assembly of a dual pH/thermo-responsive fluorinated diblock terpolymer
Authors: Falireas Panagiotis G. , Ladmiral Vincent , Ameduri Bruno
Published: November 2020

The synthesis of fluorinated dual-responsive block terpolymers via sequential reversible addition–fragmentation chain transfer (RAFT) polymerization is presented.
Structural properties and luminescence dynamics of CaZrO3:Eu3+ phosphors
Authors: Kunti Arup K. , Patra Nirmalendu , Harris Richard A. , Sharma Shailendra K. , Bhattacharyya Dibyendu , Jha Sambhu N. , Swart Hendrik C.
Published: November 2020

In the present work, the effect of Eu3+ doping concentration on the structural and luminescence properties of Eu3+ doped CaZrO3 red phosphors was investigated.
Palladium-catalyzed cascade reactions in aqueous media: synthesis and photophysical properties of pyrazino-fused quinazolinones
Authors: Zhang Yetong , Xiong Wenzhang , Chen Lepeng , Shao Yinlin , Li Renhao , Chen Zhongyan , Ge Jingyuan , Lv Ningning , Chen Jiuxi
Published: November 2020

A convenient, efficient, and direct approach toward the synthesis of pyrazino-fused quinazolinone frames has been developed. The photophysical properties of 3e with the AIE effect were investigated.
Structural, optical and dielectric properties of Cu1.5Mn1.5O4 spinel nanoparticles
Authors: Hadded Abir , Massoudi Jalel , Dhahri Essebti , Khirouni Kamel , Costa B. F. O.
Published: November 2020

In this study, a Cu1.5Mn1.5O4 spinel was successfully synthesized by a sol–gel method at 500 °C for 5 h and characterized by different techniques.
Thermal conductivity of hexagonal BC2P – a first-principles study
Authors: Muthaiah Rajmohan , Tarannum Fatema , Annam Roshan Sameer , Nayal Avinash Singh , Danayat Swapneel , Garg Jivtesh
Published: November 2020

In this work, we report a high thermal conductivity (k) of 162 W m−1 K−1 and 52 W m−1 K−1 at room temperature, along the directions perpendicular and parallel to the c-axis, respectively, of bulk hexagonal BC2P (h-BC2P), using first-principles calculations.
Enhancing glycan stability via site-selective fluorination: modulating substrate orientation by molecular design
Authors: Axer Alexander , Jumde Ravindra P. , Adam Sebastian , Faust Andreas , Schäfers Michael , Fobker Manfred , Koehnke Jesko , Hirsch Anna K. H. , Gilmour Ryan
Published: November 2020

Single site OH → F substitution at the termini of maltotetraose leads to significantly improved hydrolytic stability towards α-amylase and α-glucosidase relative to the natural compound.
Cerium–quinone redox couples put under scrutiny
Authors: Bayer Uwe , Werner Daniel , Berkefeld Andreas , Maichle-Mössmer Cäcilia , Anwander Reiner
Published: November 2020

Para-quinones reveal distinct reactivity towards homoleptic cerous silylamide and siloxide complexes depending on both their oxidizing power and the supporting ligand L.
Techno-economic analysis of a sustainable process for converting CO2 and H2O to feedstock for fuels and chemicals
Authors: Kulkarni Aniruddha P. , Hos Tomy , Landau Miron V. , Fini Daniel , Giddey Sarbjit , Herskowitz Moti
Published: November 2020

Environmental and economically-competitive co-electrolysis and catalytic processes were developed for production of feedstock for fuels and chemicals from CO2 and H2O.
Phase-controllable polymerized ionic liquids for CO2 fixation into cyclic carbonates
Authors: Yang Chaokun , Chen Yanglin , Qu Ye , Zhang Jiaxu , Sun Jianmin
Published: November 2020

Phase-controllable polymerized ionic liquids were facilely prepared and exhibited superior catalytic activity for the CO2 cycloaddition reaction.
A facile approach to fabricateSaccharum spontaneum-derived porous carbon-based supercapacitors for excellent energy storage performance in redox active electrolytes
Authors: Samantray R. , Karnan M. , Vivekanand  , Subramani K. , Anjeline C. Jesica , Mishra S. C. , Sathish M.
Published: November 2020

In recent years, redox additive electrolytes have been anticipated as effectual selections over modest aqueous electrolytes.
A hierarchical CoP@NiCo-LDH nanoarray as an efficient and flexible catalyst electrode for the alkaline oxygen evolution reaction
Authors: Tian Wenli , Zhang Jie , Feng Hao , Wen Hao , Sun Xun , Guan Xin , Zheng Dengchao , Liao Jing , Yan Minglei , Yao Yadong
Published: November 2020

CoP@NiCo-LDH/CC needs a low overpotential of only 271 mV to attain 20 mA cm−2 for the OER.
The strategies of boosting the performance of highly reversible zinc anodes in zinc-ion batteries: recent progress and future perspectives
Authors: Zhao Chenghan , Wang Xinlu , Shao Chenglong , Li Gaopeng , Wang Jinxian , Liu Dongtao , Dong Xiangting
Published: November 2020

Rechargeable zinc-metal batteries have attracted widespread attention recently as a potential substitute for lithium-ion batteries due to their low cost, large volumetric capacity and the capability to use a safe aqueous electrolyte.
Mechanism of formaldehyde and formic acid formation on (101)-TiO2@Cu4 systems through CO2 hydrogenation
Authors: Singh Deobrat , Gupta Sanjeev K. , Seriani Nicola , Lukačević Igor , Sonvane Yogesh , Gajjar P. N. , Ahuja Rajeev
Published: November 2020

The decoration of a copper cluster on the anatase phase of a (101)-TiO2 surface to increase the reduction of CO2 has gained significant interest and potential to trigger sustainable solar-fuel-based economy.
In situ observation of fast surface dynamics during the vapor-deposition of a stable organic glass
Authors: Thoms E. , Gabriel J. P. , Guiseppi-Elie A. , Ediger M. D. , Richert R.
Published: November 2020

Dielectric measurements record the film growth during physical vapor deposition, as well as thickness and dynamics associated with the fast surface layer.
A thermally reduced graphene oxide membrane interlayered with anin situsynthesized nanospacer for water desalination
Authors: Ma Hongyu , Chen Xiaofang , Mohammed Shabin , Hu Yaoxin , Lu Jun , Simon George P. , Hou Hongjuan , Wang Huanting
Published: November 2020

The interlayer nanostructure of two-dimensional lamellar membranes is important with regard to efficient water permeation and purification.
High-performance solid-state hybrid supercapacitor enabled by metal–organic framework-derived multi-component hybrid electrodes of Co–N–C nanofibers and Co2−xFexP–N–C micropillars
Authors: Singh Thangjam Ibomcha , Rajeshkhanna G. , Kshetri Tolendra , Kim Nam Hoon , Lee Joong Hee
Published: November 2020

A high performance solid-state hybrid supercapacitor enabled by MOF derived Co embedded N-doped carbon nanofibers and mesoporous Co2−xFexP–N–C micropillar hybrid electrodes.
Oxide nanomembrane induced assembly of a functional smart fiber composite with nanoporosity for an ultra-sensitive flexible glucose sensor
Authors: Zhao Zhe , Kong Ye , Lin Xinyi , Liu Chang , Liu Jinrun , He Yiyun , Yang Lili , Huang Gaoshan , Mei Yongfeng
Published: November 2020

ZnO nanomembrane-induced assembly of a ZIF-67 layer on flexible carbon fibers leads to formation of a functional composite for ultra-sensitive glucose sensing.
Interpretable machine learning modeling of capacitive deionization for contribution analysis of electrode and process features
Authors: Saffarimiandoab Farzin , Mattesini Riccardo , Fu Wanyi , Kuruoglu Ercan Engin , Zhang Xihui
Published: November 2020

State-of-the-art machine learning techniques are established to predict the performance of the capacitive deionization process and to determine the role of electrode and process features in desalination.
From insulator to oxide-ion conductor by a synergistic effect from defect chemistry and microstructure: acceptor-doped Bi-excess sodium bismuth titanate Na0.5Bi0.51TiO3.015
Authors: Yang Fan , Dean Julian S. , Hu Qiaodan , Wu Patrick , Pradal-Velázquez Emilio , Li Linhao , Sinclair Derek C.
Published: November 2020

Low levels of acceptor-type dopants can introduce appreciable levels of oxide-ion conductivity into NB0.51T due to a synergistic effect from defect chemistry and ceramic microstructure.
Room temperature synthesis and characterization of novel lead-free double perovskite nanocrystals with a stable and broadband emission
Authors: Tang Yingying , Gomez Leyre , van der Laan Marco , Timmerman Dolf , Sebastian Victor , Huang Chia-Ching , Gregorkiewicz Tom , Schall Peter
Published: November 2020

We demonstrated the synthesis of ultra small and stable Cs3BiBr6 nanocrystals, ∼1.5–3 nm, via a room-temperature antisolvent method. Red-shift of bandgap was observed in low temperature PL measurements with an activation energy of ∼41 meV.
2′,7′-dichlorofluorescin-based analysis of Fenton chemistry reveals auto-amplification of probe fluorescence and albumin as catalyst for the detection of hydrogen peroxide
Authors: Gonzalez Teresa , Peiretti Franck , Defoort Catherine , Borel Patrick , Govers Roland
Published: November 2020

Fluorophore 2′,7′-dichlorofluorescin (DCF) is the most frequently used probe for measuring oxidative stress in cells, but many aspects of DCF remain to be revealed. Here, DCF was used to study the Fenton reaction in detail, which confirmed that in a cell-free system, the hydroxyl radical was easily measured by DCF, accompanied by the consumption of H2O2 and the conversion of ferrous iron into ferric iron. DCF fluorescence was more specific for hydroxyl radicals than the measurement of thiobarbituric acid (TBA)-reactive 2-deoxy-D-ribose degradation products, which also detected H2O2. As expected, hydroxyl radical-induced DCF fluorescence was inhibited by iron chelation, anti-oxidants, and hydroxyl radical scavengers and enhanced by low concentrations of ascorbate. Remarkably, due to DCF fluorescence auto-amplification, Fenton reaction-induced DCF fluorescence steadily increased in time even when all ferrous iron was oxidized. Surprisingly, the addition of bovine serum albumin rendered DCF sensitive to H2O2 as well. Within cells, DCF appeared not to react directly with H2O2 but indirect via the formation of hydroxyl radicals, since H2O2-induced cellular DCF fluorescence was fully abolished by iron chelation and hydroxyl radical scavenging. Iron chelation in H2O2-stimulated cells in which DCF fluorescence was already increasing did not abrogate further increases in fluorescence, suggesting DCF fluorescence auto-amplification in cells. Collectively, these data demonstrate that DCF is a very useful probe to detect hydroxyl radicals and hydrogen peroxide and to study Fenton chemistry, both in test tubes as well as in intact cells, and that fluorescence auto-amplification is an intrinsic property of DCF.
A beginner’s guide to neutron macromolecular crystallography
Authors: Meilleur Flora
Published: November 2020

Hydrogen atoms drive biological structure and function, but the lightest element is often unseen in three-dimensional macromolecule structures, hampering our understanding of biochemical processes. This guide will i) present how neutron crystallography uniquely reveals the experimental positions of hydrogen atoms and resolves mechanical controversies, ii) briefly introduce beamlines at neutron facilities, iii) discuss sample requirements and preparation and iv) familiarize the reader with neutron data and refinement statistics.
A 23-gene prognostic classifier for prediction of recurrence and survival for Asian breast cancer patients
Authors: Chen Ting-Hao , Chiu Jian-Ying , Shih Kuan-Hui
Published: November 2020

We report a 23- gene-classifier profiled from Asian women, with the primary purpose of assessing its clinical utility towards improved risk stratification for relapse for breast cancer patients from Asian cohorts within 10 years’ following mastectomy. Four hundred and twenty-two breast cancer patients underwent mastectomy and were used to train the classifier on a logistic regression model. A subset of 197 patients were chosen to be entered into the follow-up studies post mastectomy who were examined to determine the patterns of recurrence and survival analysis based on gene expression of the gene classifier, age at diagnosis, tumor stage and lymph node status, over a 5 and 10 years follow-up period. Metastasis to lymph node (N2-N3) with N0 as the reference (N2 vs. N0 hazard ratio: 2.02 (1.05–8.70), N3 vs. N0 hazard ratio: 4.32 (1.41–13.22) for 5 years) and gene expression of the 23-gene panel (P=0.06, 5 years and 0.02, 10 years, log-rank test) were found to have significant discriminatory effects on the risk of relapse (HR (95%CI):2.50 (0.95–6.50)). Furthermore, survival curves for subgroup analysis with N0-N1 and T1-T2 predicted patients with higher risk scores. The study provides robust evidence of the effectiveness of the 23-gene-classifier and could be used to determine the risk of relapse event (locoregional and distant recurrence) in Asian patients, leading to a meaningful reduction in chemotherapy recommendations.
Flexibility and Operating Reserves in Electric Power Systems
Authors: Aksaeva Elena , Glazunova Anna
Published: November 2020

Maintaining the efficiency of electric power systems (EPSs) requires some flexibility margin, which decreases in the case of adopting a variety of renewable energy sources (RESs). For this reason, the determination of the EPS flexibility several hours ahead becomes especially urgent. In this study, the flexibility of a 5-node EPS with a four-minute load change during a 6-hour time horizon is calculated. To this end, a probabilistic method based on the analysis of the cumulative probability of the available flexibility is used.
Reforming the electric power industry of Russia: matters of concern, challenges, and solutions
Authors: Golovshchikov Vladimir
Published: November 2020

The results of reforms in the Russian electric power industry and the main problems facing the industry that hinder not only its development, but also reduce the efficiency of its operation are presented. The analysis of the current regulatory framework in the electric power industry is provided.It is shown that the ongoing process of digitalization and intellectualization of the electric power industry will fail to attain its full potential unless large-scale technological modernization of the industry is implemented, and both directions should be pursued simultaneously. The wholesale and retail electricity and capacity markets created, as a result of the electricity reform are of low efficiency and call for introducing significant changes. In order to carry out the necessary transformations, some priority measures are proposed to improve the state of affairs in the Russian electric power industry and ensure its prospective development.
Development of Digital Twin for Load Center on the Example of Distribution Network of an Urban District
Authors: Tomin Nikita , Kurbatsky Victor , Borisov Vadim , Musalev Sergey
Published: November 2020

The paper proposes a concept of building a digital twin based on the reinforcement learning method. This concept allows implementing an accurate digital model of an electrical network with bidirectional automatic data exchange, used for modeling, optimization, and control. The core of such a model is an agent (potential digital twin). The agent, while constantly interacting with a physical object (electrical grid), searches for an optimal strategy for active network management, which involves short-term strategies capable of controlling the power supplied by generators and/ or consumed by the load to avoid overload or voltage problems. Such an agent can verify its training with the initial default policy, which can be considered as a teacher’s advice. The effectiveness of this approach is demonstrated on a test 77-node scheme and a real 17-node network diagram of the Akademgorodok microdistrict (Irkutsk) according to the data from smart electricity meters.
Requirements for distributed generation from the electricity system flexibility point of view
Authors: Tribunskaia Anastasiia
Published: November 2020

Nowadays distributed generation is developing perspective technology that influences among others on electricity system flexibility. This paper represents analysis of foreign and Russian works and describes main flexibility sources, distributed energy role in providing flexibility, advantages and disadvantages of distributed energy appliance. Electricity flexibility is discussed from distributed generation point of view. Also requirements for distributed energy are defined providing maximum efficiency of distributed energy included in electricity system appliance.
Improving the Efficiency of the Three-Stage Technique of Mathematical Model Identification of Complex Thermal Power Equipment
Authors: Alekseiuk Vitalii
Published: November 2020

The problems of state estimation of thermal power system operation and identification of mathematical model parameters have not been acceptably solved due to the complexity of studied objects and their mathematical models, and the lack of effective methods, algorithms and computer programs to solve the required mathematical problems. The results of solving the indicated problems are of importance as such, and play a great part in the qualitative solution to the problems of thermal power equipment control, e.g., the problems of optimal load dispatch among thermal power plant units and optimal control of thermal power equipment operation conditions. The paper describes an effective three-stage technique of mathematical model identification of complex thermal power equipment. The technique allows us to more effectively detect gross errors in measurements of control parameters used for identification of the mathematical model of the studied equipment, to evaluate correctness and rectify errors in the mathematical model construction, and to improve identification accuracy. The article presents a new formulation of the optimization problem for more efficient identification of mathematical models of heat power equipment. An effective three-stage technique of mathematical model identification of complex thermal power equipment was tested on a detailed mathematical model of the present-day 225 MW generating unit that was constructed by the author. The paper presents results of solving the identification problem of mathematical model parameters of a generating unit.
Possible in-service damages of steam generators at VVER-1000 and VVER-1200 NPP units and their impact on long-term operation
Authors: Arzhaev Alexander , Arzhaev Alexey , Makhanev Valentin , Antonov Mikhail , Emelianov Anton , Kalyutik Aleksander , Karyakin Yury , Kurakin Maksim , Lyashenko Daniil , Arzhaev Kirill , Denisov Ilya
Published: November 2020

Specific features of corrosion-mechanical damages of primary circuit header to steam generator vessel branch welds at VVER-1000 NPPs and their impact on safety and economic efficiency during long-term operation are analysed. Measures to avoid the damages for similar zones of VVER-1200 steam generators are discussed.
Economic Theoretical and Legal Issues of Antimonopoly Regulation in the Russian Electric Power Industry
Authors: Vasilyev Mikhail
Published: November 2020

The paper discusses the antimonopoly regulation of the Russian wholesale electricity and capacity market as an interconnection of economic theory and legal science. Research of results and by-effects of different regulation mechanisms and understanding the public danger of abusing monopoly power are problems of the economic theory and there are serious contradictions in these spheres nowadays. The legal science reflects these contradictions and transfers them into legal acts. The three legal acts that regulate pricing and bidding in the wholesale electricity and capacity market in Russia are analyzed. Findings show that the concepts of price manipulation and monopolistically high and low pricing are not clearly defined and allow violent interpretation.
Low-carbon development strategy of Russia considering the impact on the economy
Authors: Kolpakov Andrey
Published: November 2020

The article considers the impact of national climate policy on the development of the Russian economy and energy sector. Implementation of an aggressive scenario (which is aimed at containing at any cost the rise in global temperature within 1.5 °C compared to the pre-industrial era) is unacceptable to Russia from socioeconomic perspective given it leads to lowering the average annual GDP growth rate by 1.8 percentage points by 2050. Effective long-term development strategy with low GHG emissions level should focus on structural and technological modernization of the economy; improve the absorption potential of the LULUCF sector; stimulate only those structural changes in the energy sector that involve production and technological chains within the country and do not provide for excessive price growth. Russia retains a significant potential for energy efficiency growth, and the necessary condition for activating this process is sustainable economic growth as it involves modernization of the production facilities and using available and competitive industrial capacities. The implementation of a reasonable scenario, based on these principles, would allow Russia to fulfil the nationally determined contributions within the Paris Agreement while ensuring economic growth at the rate not less than the global average one.