bluuebunny/crossref_metadata_2025 huggingface dataset:
Prevalence of pathogenic variants in DNA damage response and repair genes in patients undergoing cancer risk assessment and reporting a personal history of early-onset renal cancer
Authors: Hartman Tiffiney R. , Demidova Elena V. , Lesh Randy W. , Hoang Lily , Richardson Marcy , Forman Andrea , Kessler Lisa , Speare Virginia , Golemis Erica A. , Hall Michael J. , Daly Mary B. , Arora Sanjeevani
Published: August 2020

Pathogenic variants (PVs) in multiple genes are known to increase the risk of early-onset renal cancer (eoRC). However, many eoRC patients lack PVs in RC-specific genes; thus, their genetic risk remains undefined. Here, we determine if PVs in DNA damage response and repair (DDRR) genes are enriched in eoRC patients undergoing cancer risk assessment. Retrospective review of de-identified results from 844 eoRC patients, undergoing testing with a multi-gene panel, for a variety of indications, by Ambry Genetics. PVs in cancer-risk genes were identified in 12.8% of patients—with 3.7% in RC-specific, and 8.55% in DDRR genes. DDRR gene PVs were most commonly identified in CHEK2, BRCA1, BRCA2, and ATM. Among the 2.1% of patients with a BRCA1 or BRCA2 PV, < 50% reported a personal history of hereditary breast or ovarian-associated cancer. No association between age of RC diagnosis and prevalence of PVs in RC-specific or DDRR genes was observed. Additionally, 57.9% patients reported at least one additional cancer; breast cancer being the most common (40.1% of females, 2.5% of males). Multi-gene testing including DDRR genes may provide a more comprehensive risk assessment in eoRC patients. Further validation is needed to characterize the association with eoRC.
Empagliflozin improves post-infarction cardiac remodeling through GTP enzyme cyclohydrolase 1 and irrespective of diabetes status
Authors: Asensio Lopez Maria del Carmen , Lax Antonio , Hernandez Vicente Alvaro , Saura Guillen Elena , Hernandez-Martinez Antonio , Fernandez del Palacio Maria Josefa , Bayes-Genis Antoni , Pascual Figal Domingo A.
Published: August 2020

Sodium-glucose co-transporter-2 inhibitors (SGLT2i) have shown to prevent heart failure progression, although the mechanisms remain poorly understood. Here we evaluated the effect of empagliflozin (EMPA, SGLT2i) in cardiac remodeling after myocardial infarction, the interplay with diabetes status and the role of cardiac GTP enzyme cyclohydrolase 1 (cGCH1). A rat model of diabetes (50 mg/kg streptozotocin, i.p.) was subjected to myocardial infarction and left ventricular systolic dysfunction, by ligation of the left anterior descending coronary artery. EMPA therapy significantly improved cardiac remodeling parameters and ameliorated processes of fibrosis and hypertrophy, in both non-diabetic and diabetic rats. This cardioprotective effect related with a significant increase in myocardial expression levels of cGCH1, which led to activation of nNOS and eNOS, and inhibition of iNOS, and subsequently resulted in increasing of NO levels and decreasing O2.- and nitrotyrosine levels. These effects were replicated in a cardiomyocyte biomechanical stretching diabetic model, where silencing cGCH1 blocked the preventive effect of EMPA. The beneficial effects were observed irrespective of diabetes status, although the magnitude was greater in presence of diabetes. Empagliflozin improves myocardial remodeling after myocardial infarction through overexpression of cGCH1, and irrespective of diabetes status.
Structural, in silico, and functional analysis of a Disabled-2-derived peptide for recognition of sulfatides
Authors: Song Wei , Gottschalk Carter J. , Tang Tuo-Xian , Biscardi Andrew , Ellena Jeffrey F. , Finkielstein Carla V. , Brown Anne M. , Capelluto Daniel G. S.
Published: August 2020

Disabled-2 (Dab2) is an adaptor protein that regulates the extent of platelet aggregation by two mechanisms. In the first mechanism, Dab2 intracellularly downregulates the integrin αIIbβ3receptor, converting it to a low affinity state for adhesion and aggregation processes. In the second mechanism, Dab2 is released extracellularly and interacts with the pro-aggregatory mediators, the integrin αIIbβ3receptor and sulfatides, blocking their association to fibrinogen and P-selectin, respectively. Our previous research indicated that a 35-amino acid region within Dab2, which we refer to as the sulfatide-binding peptide (SBP), contains two potential sulfatide-binding motifs represented by two consecutive polybasic regions. Using molecular docking, nuclear magnetic resonance, lipid-binding assays, and surface plasmon resonance, this work identifies the critical Dab2 residues within SBP that are responsible for sulfatide binding. Molecular docking suggested that a hydrophilic region, primarily mediated by R42, is responsible for interaction with the sulfatide headgroup, whereas the C-terminal polybasic region contributes to interactions with acyl chains. Furthermore, we demonstrated that, in Dab2 SBP, R42 significantly contributes to the inhibition of platelet P-selectin surface expression. The Dab2 SBP residues that interact with sulfatides resemble those described for sphingolipid-binding in other proteins, suggesting that sulfatide-binding proteins share common binding mechanisms.
Sorption, solubility and cytotoxicity of novel antibacterial nanofilled dental adhesive resins
Authors: Esteban Florez Fernando Luis , Kraemer Hannah , Hiers Rochelle Denise , Sacramento Catharina Marques , Rondinone Adam Justin , Silvério Karina Gonzales , Khajotia Sharukh S.
Published: August 2020

Dental adhesives hydrolyze in the mouth. This study investigated the water sorption (SOR), solubility (SOL) and cytotoxicity (CYTO) of experimental adhesives containing nitrogen-doped titanium dioxide nanoparticles (N_TiO2). Specimens (n = 15/group [SOR, SOL]; n = 10/group [CYTO]) of unaltered Clearfil SE Protect (CSP), OptiBond Solo Plus (OSP), Adper Scotchbond (ASB) and experimental adhesives (OSP + 25% or 30% of N_TiO2) were fabricated, desiccated (37 °C) and tested for SOR and SOL according to ISO Specification 4049 (2009). CYTO specimens were UV-sterilized (8 J/cm2) and monomer extracted in growth medium (1, 3 or 7 days). Human pulp cells were isolated and seeded (0.5 × 104) for MTT assay. SOR and SOL data was analyzed using GLM and SNK (α = 0.05) and CYTO data was analyzed with Kruskal–Wallis and SNK tests (α = 0.05). SOR and SOL values ranged from 25.80 μg/mm3 (30% N_TiO2) to 28.01 μg/mm3 (OSP) and 23.88 μg/mm3 (30% N_TiO2) to 25.39 μg/mm3 (25% N_TiO2). CYTO results indicated that pulp cells exposed to experimental materials displayed comparable viabilities (p > 0.05) to those of OSP. Experimental materials displayed comparable SOR, SOL and CYTO values (p > 0.05) when compared to unaltered materials. N_TiO2 incorporation have not adversely impacted SOR, SOL and CYTO properties of unaltered adhesives.
Simulation of electrochemical properties of naturally occurring quinones
Authors: Kristensen Sebastian Birkedal , van Mourik Tanja , Pedersen Tobias Bruun , Sørensen Jens Laurids , Muff Jens
Published: August 2020

Quinones are produced in organisms and are utilized as electron transfer agents, pigments and in defence mechanisms. Furthermore, naturally occurring quinones can also be cytotoxins with antibacterial properties. These properties can be linked to their redox properties. Recent studies have also shown that quinones can be utilized in flow battery technology, though naturally occurring quinones have not yet been investigated. Here, we have analyzed the properties of 990 different quinones of various biological sources through a computation approach to determine their standard reduction potentials and aqueous solubility. The screening was performed using the PBE functional and the 6-31G** basis set, providing a distribution of reduction potentials of the naturally occurring quinones varying from − 1.4 V to 1.5 V vs. the standard hydrogen electrode. The solvation energy for each quinone, which indicates the solubility in aqueous solution, was calculated at the same level. A large distribution of solubilities was obtained, containing both molecules that show tendencies of good solubilities and molecules that do not. The solubilities are dependent on the nature of the side groups and the size of the molecules. Our study shows that the group containing the quinones of fungal origin, which is also the largest of the groups considered, has the largest antimicrobial and electrochemical potential, when considering the distribution of reduction potentials for the compounds.
CRISPR/Cas12a mediated knock-in of the Polled Celtic variant to produce a polled genotype in dairy cattle
Authors: Schuster Felix , Aldag Patrick , Frenzel Antje , Hadeler Klaus-Gerd , Lucas-Hahn Andrea , Niemann Heiner , Petersen Björn
Published: August 2020

In modern livestock farming horned cattle pose an increased risk of injury for each other as well as for the farmers. Dehorning without anesthesia is associated with stress and pain for the calves and raises concerns regarding animal welfare. Naturally occurring structural variants causing polledness are known for most beef cattle but are rare within the dairy cattle population. The most common structural variant in beef cattle consists of a 202 base pair insertion-deletion (Polled Celtic variant). For the generation of polled offspring from a horned Holstein–Friesian bull, we isolated the Polled Celtic variant from the genome of an Angus cow and integrated it into the genome of fibroblasts taken from the horned bull using the CRISPR/Cas12a system (formerly Cpf1). Modified fibroblasts served as donor cells for somatic cell nuclear transfer and reconstructed embryos were transferred into synchronized recipients. One resulting pregnancy was terminated on day 90 of gestation for the examination of the fetus. Macroscopic and histological analyses proved a polled phenotype. The remaining pregnancy was carried to term and delivered one calf with a polled phenotype which died shortly after birth. In conclusion, we successfully demonstrated the practical application of CRISPR/Cas12a in farm animal breeding and husbandry.
Stability of yield and its components in grafted tomato tested across multiple environments in Texas
Authors: Djidonou Desire , Leskovar Daniel I. , Joshi Madhumita , Jifon John , Avila Carlos A. , Masabni Joseph , Wallace Russell W. , Crosby Kevin
Published: August 2020

Grafting with vigorous rootstocks could offer tomato growers in Texas sustainable and efficient option to achieve reliable yield across a range of production systems and locations. Genotypes (G) of grafted and non-grafted tomato were grown in different environments (E) in the 2017 and 2018 spring seasons. The objectives of the study were to (i) evaluate the effects of production system and grafting on tomato yield traits, (ii) determine the size of genotypic and genotype by environment interaction (G × E) variance components, and (iii) evaluate the relative stability of tested genotypes for yield and its components across production environments. In 2017, genotypes were non-grafted ‘TAMU Hot Ty’ (TAM) and ‘Tycoon’ (TY) and each grafted on commercial tomato rootstocks ‘Estamino’ (TAM/ES, TY/ES) and ‘Multifort’ (TAM/MU, TY/MU) while in 2018, TAM and ‘HM1823’ (HM) were grafted on ‘Estamino’ (TAM/ES, HM/ES) and ‘Multifort’ (TAM/MU, HM/MU). Testing environments were high tunnel (HT) and open-field (OF) in Uvalde in 2017 while in 2018, these were HT and OF in Lubbock (LU-HT, LU-OF), Overton (OV-HT, OV-OF), Uvalde (UV-HT, UV-OF), and Weslaco (WE-HT, WE-OF). Total and marketable yields, fruit number per plant, and average fruit weight were significantly affected by E, G, and G × E interaction. Environmental component contributed 71–86% to the total variation for all these traits, while genotype explained 1.5–10.8%, and the contribution of G × E ranged between 4.3 to 6.7%. Estimation of the univariate statistic parameters and genotype plus genotype × environment (GGE) biplot analysis indicated that HM/MU and HM/ES were the most stable graft combination with the highest total and marketable yields, while TAM/ES was very unstable for yields across test environments. TAM/MU was stable but with yield lower than the grand mean. These results suggest that high tomato yields could be consistently achieved with grafted combination (HM/MU and HM/ES) especially under high tunnel production system across the regions of Texas.
Association between IL-1β and recurrence after the first epileptic seizure in ischemic stroke patients
Authors: Zhang Qingyan , Li Guanghong , Zhao Duanyun , Yang Peng , Shabier Tuerxun , Tuerxun Tuerhong
Published: August 2020

To analyze the association of IL-1β with recurrence after the first epileptic seizure in ischemic stroke patients and evaluate its predictive value. 238 patients with the first epileptic seizure after ischemic stroke were included in this study. IL-1β expression levels were detected through quantitative Real-Time PCR. Kaplan–Meier method was used to perform univariate analysis with log-rank test. The variables with P < 0.1 were then included in multivariate analysis. Receiver operating characteristic (ROC) curve was used to evaluate the predictive value. Among all 238 patients, 107 patients (44.96%) had seizure recurrence and 131 patients (55.04%) had no recurrence. Kaplan–Meier analysis showed that high expression of IL-1β, low age (< 65 years), male, cortical involvement, large lesion size, late onset, severe neurological impairment and partial seizure type were associated with seizure recurrence. Multivariate analysis showed that IL-1β expression level (hazard ratio 2.057, 95% confidence interval 1.296–3.318) was independently associated with seizure recurrence. The area under ROC curve (AUC) was 0.803 (SE 0.030, 95% confidence interval 0.744–0.862) when IL-1β expression levels were applied in predicting seizure recurrence. IL-1β might be a useful biomarker for early discovery of recurrence after the first epileptic seizure in ischemic stroke patients.
Microchip capillary electrophoresis dairy device using fluorescence spectroscopy for detection of ciprofloxacin in milk samples
Authors: Bosma Rick , Devasagayam Jasen , Singh Ashutosh , Collier Christopher M.
Published: August 2020

Detecting antibiotics in the milk supply chain is crucial to protect humans from allergic reactions, as well as preventing the build-up of antibiotic resistance. The dairy industry has controls in place at processing facilities, but controls on dairy farms are limited to manual devices. Errors in the use of these manual devices can result in severe financial harm to the farms. This illustrates an urgent need for automated methods of detecting antibiotics on a dairy farm, to prevent the shipment of milk containing antibiotics. This work introduces the microchip capillary electrophoresis dairy device, a low-cost system that utilizes microchip capillary electrophoresis as well as fluorescence spectroscopy for the detection of ciprofloxacin contained in milk. The microchip capillary electrophoresis dairy device is operated under antibiotic-absent conditions, with ciprofloxacin not present in a milk sample, and antibiotic-present conditions, with ciprofloxacin present in a milk sample. The response curve for the microchip capillary electrophoresis dairy device is found through experimental operation with varied concentrations of ciprofloxacin. The sensitivity and limit of detection are quantified for the microchip capillary electrophoresis dairy device.
Effect of manuka honey on biofilm-associated genes expression during methicillin-resistant Staphylococcus aureus biofilm formation
Authors: Kot Barbara , Sytykiewicz Hubert , Sprawka Iwona , Witeska Małgorzata
Published: August 2020

Methicillin-resistant Staphylococcus aureus (MRSA) are among the most important biofilm-forming pathogens responsible for hard-to-treat infections. Looking for alternatives to antibiotics that prevent biofilm formation, we investigated the effects of manuka honey on the transcriptional profile of genes essential for staphylococcal biofilm formation using qRT-PCR. mRNA from two hospital MRSA strains (strong and weak biofilm producer) were isolated after 4, 8, 12 and 24 h from cells grown in biofilm. Manuka honey at 1/2 minimum biofilm inhibition concentration (MBIC) significantly reduced MRSA cell viability in biofilm. Manuka honey downregulated the genes encoding laminin- (eno), elastin- (ebps) and fibrinogen binding protein (fib), and icaA and icaD involved in biosynthesis of polysaccharide intercellular adhesin in both weakly and strongly adhering strain compared to the control (untreated biofilm). Expression levels of cna (collagen binding protein) and map/eap (extracellular adherence protein—Eap) were reduced in weakly adhering strain. The lowest expression of investigated genes was observed after 12 h of manuka honey treatment at 1/2 MBIC. This study showed that the previously unknown mechanism of manuka honey action involved inhibition of S. aureus adhesion due to reduction in expression of crucial genes associated with staphylococcal biofilm.
Thermo- and electro-switchable Cs⊂{Fe4–Fe4} cubic cage: spin-transition and electrochromism
Authors: Glatz Jana , Chamoreau Lise-Marie , Flambard Alexandrine , Meunier Jean-Francois , Bousseksou Azzedine , Lescouëzec Rodrigue
Published: August 2020

The Cs⊂{Fe4–Fe4} cube is a dual redox and magnetic switch showing remarkable electrochromic properties and spin-transition in its neutral state.
Tuning the π–π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism
Authors: Courté Marc , Ye Jun , Jiang Hui , Ganguly Rakesh , Tang Shasha , Kloc Christian , Fichou Denis
Published: August 2020

We report here on the occurrence of two solvates and three polymorphs in single crystalline form of an organic p-type semiconductor and demonstrate here that solvation allows to tune the π–π overlap and transport properties of organic semiconductors.
Electric field induced band tuning, optical and thermoelectric responses in tetragonal germanene: a theoretical approach
Authors: Ghosal Supriya , Bandyopadhyay Arka , Jana Debnarayan
Published: August 2020

Transverse electric field breaks the sublattice symmetry and generates a band gap in the semi-metallic T-Ge structure.
Organochalcogen ligands in catalysis of oxidation of alcohols and transfer hydrogenation
Authors: Oswal Preeti , Arora Aayushi , Singh Siddhant , Nautiyal Divyanshu , Kumar Sushil , Rao Gyandshwar Kumar , Kumar Arun
Published: August 2020

The perspective covers S, Se or Te-ligated metal complexes and their catalytic applications in oxidation of alcohols and transfer hydrogenation.
Azo- and methylene-bridged mixed azoles for stable and insensitive energetic applications
Authors: Chinnam Ajay Kumar , Yu Qiong , Imler Gregory H. , Parrish Damon A. , Shreeve Jean'ne M.
Published: August 2020

A simple synthetic strategy for the preparation of high nitrogen content azo- and methylene bridged mixed energetic azoles was used.
Development of MOF-based heterostructures for photocatalytic hydrogen evolution
Authors: Tang Hong-Liang , Sun Xiao-Jun , Zhang Feng-Ming
Published: August 2020

The schematic shows the types of MOF based heterojunction materials for photocatalytic hydrogen evolution, including metal nanoparticle/MOF, inorganic semiconductor/MOF, MOF/g-C3N4 and MOF/COF heterostructures.
Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry
Authors: Saab Marina , Nelson David J. , Tzouras Nikolaos V. , A. C. A. Bayrakdar Tahani , Nolan Steven P. , Nahra Fady , Van Hecke Kristof
Published: August 2020

Herein, we describe a straightforward access to chalcogenoureas derived from N-heterocyclic carbenes, and we investigate the coordination chemistry of selenoureas with coinage metals.
System efficiency and power: the bridge between the device and system of a thermoelectric power generator
Authors: Zhu Kang , Deng Biao , Zhang Pengxiang , Kim Hee Seok , Jiang Peng , Liu Weishu
Published: August 2020

An object-oriented white box design procedure of thermoelectric power generators is proposed based on a system level analysis.
Concentration polarization and metal dendrite initiation in isolated electrolyte microchannels
Authors: Lee Youngju , Ma Bingyuan , Bai Peng
Published: August 2020

Combined experimental and theoretical investigations show that deviations of Sand's time scaling exponent reveal the geometry of the ionic conduction pathway.
Acoustofluidic multi-well plates for enrichment of micro/nano particles and cells
Authors: Liu Pengzhan , Tian Zhenhua , Hao Nanjing , Bachman Hunter , Zhang Peiran , Hu Junhui , Huang Tony Jun
Published: August 2020

Controllable enrichment of micro/nanoscale objects plays a significant role in many biomedical and biochemical applications, such as increasing the detection sensitivity of assays, or improving the structures of bio-engineered tissues.
Cu atomic clusters on N-doped porous carbon with tunable oxidation state for the highly-selective electroreduction of CO2
Authors: Gao Jin , Wang Hui , Feng Kun , Xiang Chensheng , Wang Huibo , Qi Huihui , Liu Yang , Tian He , Zhong Jun , Kang Zhenhui
Published: August 2020

Cu atomic clusters supported on an N-doped porous carbon matrix show excellent catalytic activity and superior selectivity for the CO2RR.
Inhibited-nanophase-separation modulated polymerization for recoverable ultrahigh-strain biobased shape memory polymers
Authors: Fan Guochao , Yang Huige , Diao Yunhe , Tian Shilin , Yang Tengzhou , Sun Qingqing , Liu Chuan , Liu Xuying , Wang Yaming , Shao Chunguang , Liu Chuntai , Liu Hongzhi , Liu Wentao , Huang Miaoming , Liu Hao , Chen Jinzhou , Song Yanlin
Published: August 2020

Biobased shape-memory polymers with high strain and full recoverability have huge potential in biomedical applications.
Photo-responsive photonic hydrogel: in situ manipulation and monitoring of cell scaffold stiffness
Authors: Li Sen , Zeng Yi , Hou Wei , Wan Wang , Zhang Junning , Wang Yuli , Du Xin , Gu Zhongze
Published: August 2020

A photo-responsive hydrogel cell scaffold is generated for in situ manipulating and monitoring excelluar matrix stiffness.
A versatile strategy for controlled assembly of plasmonic metal/semiconductor hemispherical nano-heterostructure arrays
Authors: Jia Meng , Zhang Yuying , Li Zhengxin , Crouch Emma , Doble Samantha , Avenoso Joseph , Yan Han , Ni Chaoying , Gundlach Lars
Published: August 2020

A versatile strategy is presented to fabricate two-dimensional metal/semiconductor hemispherical nano-heterostructures with independent control of core diameter, shell thickness, and inter-particle spacing.
Toxicity of nanomaterials due to photochemical degradation and the release of heavy metal ions
Authors: Sobhanan Jeladhara , Jones Philip , Kohara Reiko , Sugino Sakiko , Vacha Martin , Subrahmanyam Challapally , Takano Yuta , Lacy Fred , Biju Vasudevanpillai
Published: August 2020

The cytotoxicity and genotoxicity of PbS quantum dots by photochemical etching and the release of lead ions.
Metal-free C3–H acylation of quinoxalin-2(1H)-ones with α-oxo-carboxylic acids
Authors: Ni Hangcheng , Shi Xingzi , Li Yu , Zhang Xiaoning , Zhao Jingwei , Zhao Fei
Published: August 2020

Direct C3–H acylation of quinoxalin-2(1H)-ones with α-oxocarboxylic acids under thermo conditions promoted by PIDA has been achieved in a moderate to good yield in a very fast manner.
Boracene-based alkylborate enabled Ni/Ir hybrid catalysis
Authors: Sato Yukiya , Miyamoto Yusuke , Sumida Yuto , Hosoya Takamitsu , Ohmiya Hirohisa
Published: August 2020

Boracene-based alkylborate enabled visible light-mediated Ni/Ir metallaphotoredox catalysis.
A metalloprotein-inspired thermo-gene for thermogels
Authors: Liu Kaerdun , Ma Cheng , Wang Wenkai , Zang Shihao , Cai Yiteng , Chen Wei , Liu Zeyu , Huang Jianbin , Yan Yun
Published: August 2020

Coordinating hydrogels may act as a thermo-gene to endow heat-melting conventional hydrogels with superior thermal stability at temperatures over 80 °C.
Coupling of amides with ketones via C–N/C–H bond cleavage: a mild synthesis of 1,3-diketones
Authors: Chen Jiajia , Xia Yuanzhi , Lee Sunwoo
Published: August 2020

Amides react with enolizable ketones to give 1,3-diketones via C–N cleavage of amides and deprotonation of ketones.
The effects of hydroxide and epoxide functional groups on the mechanical properties of graphene oxide and its failure mechanism by molecular dynamics simulations
Authors: Sun Yunjin , Tang Xing , Bao Hongwei , Yang Zhi , Ma Fei
Published: August 2020

Graphene oxide (GO) could be assembled via amphiphilic interface adhesion into nano-composites.
An environment-friendly crosslinked binder endowing LiFePO4 electrode with structural integrity and long cycle life performance
Authors: Zhao Lingzhu , Sun Zhipeng , Zhang Hongbing , Li Yuli , Mo Yan , Yu Feng , Chen Yong
Published: August 2020

An aqueous and eco-friendly gelatin-based binder for LiFePO4 which enables long-cycle-life lithium ion battery is designed by facile UV irradiation.
Regioselective O/C phosphorylation of α-chloroketones: a general method for the synthesis of enol phosphates and β-ketophosphonates via Perkow/Arbuzov reaction
Authors: Cao Yuepeng , Gao Zhenhua , Li Junchen , Bi Xiaojing , Yuan Ling , Pei Chengxin , Guo Yongbiao , Shi Enxue
Published: August 2020

A highly regioselective O/C phosphorylation of α-chloroketones with trialkyl phosphites was developed in the preparation of enol phosphates and β-ketophosphonates.
Production of high-complexity frameshift neoantigen peptide microarrays
Authors: Shen Luhui , Zhao Zhan-Gong , Lainson John C. , Brown Justin R. , Sykes Kathryn F. , Johnston Stephen Albert , Diehnelt Chris W.
Published: August 2020

An in situ synthesized peptide microarray of frameshift neoantigens was developed for the measurement of >400 000 antibody-antigen interactions in a single assay.
Gold nanoparticle decorated titania for sustainable environmental remediation: green synthesis, enhanced surface adsorption and synergistic photocatalysis
Authors: Perera Maheshika , Wijenayaka Lahiru A. , Siriwardana Kumudu , Dahanayake Damayanthi , Nalin de Silva K. M.
Published: August 2020

Green synthesis of gold nanoparticle decorated titania for enhanced surface adsorption and synergistic photocatalysis.
Elusive structural changes of New Delhi metallo-β-lactamase revealed by ultraviolet photodissociation mass spectrometry
Authors: Mehaffey M. Rachel , Ahn Yeong-Chan , Rivera Dann D. , Thomas Pei W. , Cheng Zishuo , Crowder Michael W. , Pratt R. F. , Fast Walter , Brodbelt Jennifer S.
Published: August 2020

We use mass spectrometry (MS) along with ultraviolet photodissociation (UVPD) to characterize structural variations in New Delhi metallo-β-lactamase (NDM) upon perturbation by ligands or mutation.
Conformation control through concurrent N–H⋯S and N–H⋯OC hydrogen bonding and hyperconjugation effects
Authors: Imani Zeynab , Mundlapati Venkateswara Rao , Goldsztejn Gildas , Brenner Valérie , Gloaguen Eric , Guillot Régis , Baltaze Jean-Pierre , Le Barbu-Debus Katia , Robin Sylvie , Zehnacker Anne , Mons Michel , Aitken David J.
Published: August 2020

In addition to N–H⋯OC bonds, less conventional N–H⋯S hydrogen bonds are found to stabilize extended backbone geometries in derivatives of a thietane α-amino acid, providing a promising tool for the design of new peptidomimetic architectures.
Discovery and biosynthesis of bosamycins from Streptomyces sp. 120454
Authors: Xu Zi Fei , Bo Sheng Tao , Wang Mei Jing , Shi Jing , Jiao Rui Hua , Sun Yang , Xu Qiang , Tan Ren Xiang , Ge Hui Ming
Published: August 2020

Genome mining targeting a unique NRPS domain led to the identification of a novel class of peptides named bosamycins.
Functionalized hydrogel microparticles prepared by microfluidics and their interaction with tumour marker carbonic anhydrase IX
Authors: Pittermannová A. , Ruberová Z. , Lizoňová D. , Hubatová-Vacková A. , Kašpar O. , Zadražil A. , Král V. , Pechar M. , Pola R. , Bibette J. , Bremond N. , Štěpánek F. , Tokárová V.
Published: August 2020

Microfluidic fabrication of alginate particles with controlled size, followed by modifications to target tumour marker carbonic anhydrase IX.
Recent progress in creating complex and multiplexed surface-grafted macromolecular architectures
Authors: Xie Zhuang , Gan Tiansheng , Fang Lvye , Zhou Xuechang
Published: August 2020

Fabrication approaches to complex and multiplexed architectures with surface-grafted macromolecular build blocks are summarized.
Reinforced macromolecular micelle-crosslinked hyaluronate gels induced by water/DMSO binary solvent
Authors: Zhang Hua , Ren Penggang , Wei Hua , Halila Sami , Osi Amarachi Rosemary , Zhou Yang , Dai Zhong , Wang Rong , Chen Jing
Published: August 2020

A DMSO/H2O binary solvent strategy is developed for tuning microstructures and performances of macromicelle-crosslinked hyaluronate hydro/organo-gels.
Synergistic optimization of interfacial energy-level alignment and defect passivation toward efficient annealing-free inverted polymer solar cells
Authors: Huang Shuai , Duan Lian , Zhang Dongdong
Published: August 2020

Efficient annealing-free inverted polymer solar cells through the synergetic optimization of interfacial energy-level alignment and defect passivation.
Extracting molecular responses from ultrafast charge dynamics at material interfaces
Authors: Wang Chenglai , Li Yingmin , Xiong Wei
Published: August 2020

A method is developed and applied to transient VSFG spectroscopy, to retrieve molecular dynamics in complex interfacial charge transfer processes.
Impressive nonlinear optical responses of a cationic porphyrin derivative in a flexible all-polymer Bragg stack on optical Tamm mode coupling
Authors: Vijisha M. V. , Ramesh Jagadeesan , Arunkumar Chellaiah , Chandrasekharan K.
Published: August 2020

Tamm plasmons aided enhancement in the nonlinear optical response of ZnP+ is investigated using a flexible, polymeric DBR based Tamm cavity.
Near-infrared light-emitting electrochemical cells based on the excimer emission of a cationic iridium complex
Authors: Liu You-Xuan , Yi Rong-Huei , Lin Chien-Hsiang , Yang Zu-Po , Lu Chin-Wei , Su Hai-Ching
Published: August 2020

Near-infrared (NIR) light-emitting devices with organic semiconductors have great potential for applications in bio-imaging, telecommunication, night-vision displays, and chemical sensing.
Relating SMCHD1 structure to its function in epigenetic silencing
Authors: Gurzau Alexandra D. , Blewitt Marnie E. , Czabotar Peter E. , Murphy James M. , Birkinshaw Richard W.
Published: August 2020

The structural maintenance of chromosomes hinge domain containing protein 1 (SMCHD1) is a large multidomain protein involved in epigenetic gene silencing. Variations in the SMCHD1 gene are associated with two debilitating human disorders, facioscapulohumeral muscular dystrophy (FSHD) and Bosma arhinia microphthalmia syndrome (BAMS). Failure of SMCHD1 to silence the D4Z4 macro-repeat array causes FSHD, yet the consequences on gene silencing of SMCHD1 variations associated with BAMS are currently unknown. Despite the interest due to these roles, our understanding of the SMCHD1 protein is in its infancy. Most knowledge of SMCHD1 function is based on its similarity to the structural maintenance of chromosomes (SMC) proteins, such as cohesin and condensin. SMC proteins and SMCHD1 share similar domain organisation and affect chromatin conformation. However, there are important differences between the domain architectures of SMC proteins and SMCHD1, which distinguish SMCHD1 as a non-canonical member of the family. In the last year, the crystal structures of the two key domains crucial to SMCHD1 function, the ATPase and hinge domains, have emerged. These structures reveal new insights into how SMCHD1 may bind and regulate chromatin structure, and address how amino acid variations in SMCHD1 may contribute to BAMS and FSHD. Here, we contrast SMCHD1 with canonical SMC proteins, and relate the ATPase and hinge domain structures to their roles in SMCHD1-mediated epigenetic silencing and disease.
Phase‐conjugating retrodirective cross‐eye jamming
Authors: du Plessis W.P.
Published: August 2020

A cross‐eye jammer based on a phase‐conjugating (PC) retrodirective array is proposed. Such PC cross‐eye jammers eliminate the delay inherent in traditional Van‐Atta (VA) cross‐eye jammers and induce errors in radars that use the same antenna beam for transmission and reception, while VA cross‐eye jammers do not. Validated simulations are provided to confirm the effectiveness and retrodirective properties of the PC cross‐eye jammer.
Sensorless control of PMSM using generalized extended state observer and adaptive resistance estimation
Authors: Ge Yang , Yang Lihui , Ma Xikui
Published: August 2020

In this study, a novel sensorless control of the surface‐mounted permanent‐magnet synchronous motor (PMSM) is proposed. Firstly, by taking the derivative of the back electromotive force (EMF), the high‐order voltage equations of PMSM, in which the dominant time‐changing parts of back‐EMF are separated and modelled, are deduced. Then a generalised extended state observer, which possesses the preferable tracking ability for time‐varying states, is designed to estimate the back‐EMF. Also, since the difference between the measured stator resistance and its real value, which changes with temperature, will lead to position errors, a resistance estimation scheme is proposed. Compared with the conventional sensorless method of PMSM, the proposed method can provide a more accurate and smooth position and speed estimation under resistance uncertainty without extra filter and compensator. Furthermore, since the effects of speed and current change rate are taken into consideration, the application of the proposed scheme is broadened. The effectiveness of the proposed method is verified by the experiments in different cases.
Design optimisation of an outer‐rotor permanent magnet synchronous hub motor for a low‐speed campus patrol EV
Authors: Shi Zhou , Sun Xiaodong , Cai Yingfeng , Tian Xiang , Chen Long
Published: August 2020

This study proposes an outer‐rotor permanent magnet synchronous hub motor (PMSHM) with similar pole and slot numbers for an electric vehicle (EV). First, the design rule of the motor size is introduced. Second, the appropriate numbers of motor poles and slots are selected to improve the torque density and save the radial space of the motor. Meanwhile, the selected poles and slots numbers can ensure that the high‐efficiency area of the motor meets the requirements of the test EV. Moreover, different winding arrangements are studied to select the appropriate winding arrangement method for the motor. Then, the key dimensions of the stator are optimised to improve the torque output and reduce the core loss of the motor by using the finite element analysis. The results indicate that the proposed outer‐rotor PMSHM with similar pole and slot numbers and double‐layer short distance concentrated slot winding exhibits high‐efficiency and high‐torque output. Finally, the predicted performance of the proposed PMSHM is verified by experiments on a prototype. Furthermore, the vehicle test is also carried out, and the results show that the prototype maintains high efficiency in the main working area of the EV.
Precise non‐linear flux linkage model for permanent magnet synchronous motors based on current injection and bivariate function approximation
Authors: Sun Xin , Xiao Xi
Published: August 2020

Saturation and cross‐coupling effects have a significant impact on the magnetic behaviour of a permanent magnet synchronous motor (PMSM), which cannot be analysed by the conventional linear model in the direct and the quadrature axis. This study introduces a precise two‐axis flux linkage model for PMSMs to offer a better depiction of the relationship between the flux linkages and corresponding currents. A parameter determination methodology is developed to identify the model parameters for a PMSM, and based on these works; the condition of a PMSM can be estimated. The process requires no geometrical parameter of the machine and little computational effort. Once the model parameters are determined, the torque estimation of a PMSM is simple enough to be made in real‐time in a motor drive controller. Finite‐element analysis and experimental results demonstrate the feasibility and accuracy of the improved model. It follows that the proposed non‐linear PMSM model based on current injection and bivariate function approximation can significantly enhance modelling precision of flux linkage and inductance over the entire range of current excitation in the application of PMSM drive.
Analysis of the TiO isotopologues in stellar optical spectra
Authors: Pavlenko Ya. V. , Yurchenko Sergei N. , McKemmish Laura K. , Tennyson Jonathan
Published: August 2020

Context. We used the new ExoMol TiO rovibronic line lists to identify and model TiO isotopologue features in spectra of M dwarfs.

Aims. We investigate problems involving the computation of electronic bands for different isotopologues of TiO by modelling optical spectra of late-type stars. Based on this, we determine their Ti isotopic abundances and compare the TiO isotopologue spectra computed using line lists by different authors.

Methods. We fitted theoretical synthetic spectra to the observed stellar molecular bands of TiO. We modelled spectra of two M dwarfs, GJ 15A (M1V) and GJ 15B (M3 V), to determine Ti isotopic ratios in their atmospheres.

Results. We demonstrate the accuracy of the ExoMol TOTO line list for different isotopologues of TiO and the possibility of determining accurate Ti isotope abundances in a number of spectral ranges. The 7580–7594 Å spectral range seems particularly useful, with two atomic lines of Fe I and molecular band heads of 50Ti O, 49Ti O, 48Ti O, and 47Ti O clearly observable in our two M-dwarf spectra. We determine non-solar Ti isotopic ratios of 46Ti, 47Ti, 48Ti, 49Ti, and 50Ti of 7.9, 5.2, 72.8, 7.9, and 6.2 for GJ 15A and 7.4, 4.2, 76.6, 5.8, and 6.0 for GJ 15B with an accuracy of ±0.2. [Ti] = 0.040 and 0.199 and within an accuracy of ±0.10 were also determined for GJ 15A and GJ 15B, respectively.

Conclusions. We find that the ExoMol TOTO TiO line list (a) describes the fine details in line position and intensity of the M-dwarf spectra better than other available TiO line lists, (b) correctly reproduces the positions and intensities of the TiO isotopologue band heads observed in M-dwarf spectra, and (c) can be used to determine Ti isotope abundances in atmospheres of M stars.
Reconstructing the gravitational lensing potential from the Lyman-α forest
Authors: Benton Metcalf R. , Tessore Nicolas , Croft Rupert A. C.
Published: August 2020

We demonstrate a method for reconstructing the weak lensing potential from the Lyman-α forest data. We derive an optimal estimator for the lensing potential on the sky based on the correlation between pixels in real space. This method effectively deals with irregularly spaced data, holes in the survey, missing data, and inhomogeneous noise. We demonstrate an implementation of the method with simulated spectra and weak lensing. It is shown that with a source density of ≳0.5 per square arcmin and ∼200 pixels in each spectrum (λ/Δλ = 1300) the lensing potential can be reconstructed with high fidelity if the relative absorption in the spectral pixels is signal dominated. When noise dominates the measurement of the absorption in each pixel the noise in the lensing potential is higher, but for reasonable numbers of sources and noise levels and a high fidelity map the lensing potential is obtainable. The lensing estimator could also be applied to lensing of the cosmic microwave background, 21 cm intensity mapping, or any case in which the correlation function of the source can be accurately estimated.
Ecology of Bloodstream Infections and Temporal Trends of Their Antibiograms with Respect to Source and Duration of Incubation: A 5-Year Retrospective Observational Analysis
Authors: Banik Amit , Lyngdoh Valarie W. , Durairaj Elantamilan , Phukan Anil C. , Kotal Raghavendra
Published: August 2020

Purpose Blood is one of the most important connective tissues of human body. Bloodstream infection can range from inapparent bacteremia till fulminant septic shock with high mortality. Presence of microbes in blood whether continuously, intermittently, or transiently is a grave risk to every organ of body. Culture of blood is a vital tool to diagnose such infections. Drug susceptibility patterns help in rationalizing therapy.

Objective The aim of the study is to perform bacteriological analysis and assess drug sensitivity patterns of blood culture isolates and compare in light of other associated variables.

Design Retrospective observational study was conducted from January 2009 to December 2013 at a tertiary care hospital at Shillong, India. Blood samples were collected with aseptic guidelines and cultured for 7 days. Growths were identified by standard biochemical tests and subjected to sensitivity testing according to Modified Kirby Bauer disk diffusion method. Data for source of blood collection and duration of incubation were noted and compared.

Results A total of 658 (11.2%) pathogens were isolated from 5,867 bacteremia-suspected patient blood specimens. Contamination was observed at the rate of 1.21%. Gram-negative organisms were the predominant pathogens recovered, Klebsiella pneumoniae being the most common. No significant difference was observed between the number of organisms isolated within or beyond 48 hours. Acinetobacter baumannii and K. pneumoniae have significantly higher chances (p < 0.05) of isolation from central line catheters compared with peripheral venipuncture.

Conclusion Successful treatment of sepsis depends on early diagnosis and proper antimicrobial therapy. Local knowledge of bacteriological profile and antimicrobial sensitivity patterns helps rationalize empiric treatment strategies.
Invariant conservation law-preserving discretizations of linear and nonlinear wave equations
Authors: Cheviakov A. F. , Dorodnitsyn V. A. , Kaptsov E. I.
Published: August 2020

Symmetry- and conservation law-preserving finite difference discretizations are obtained for linear and nonlinear one-dimensional wave equations on five- and nine-point stencils using the theory of Lie point symmetries of difference equations and the discrete direct multiplier method of conservation law construction. In particular, for the linear wave equation, an explicit five-point scheme is presented that preserves the discrete analogs of its basic geometric point symmetries and six of the corresponding conservation laws. For a class of nonlinear wave equations arising in hyperelasticity, a nine-point implicit scheme is constructed, preserving four-point symmetries and three local conservation laws. Other discretizations of the nonlinear wave equations preserving different subsets of conservation laws are discussed.
Direct and indirect exciton transitions in two-dimensional lead halide perovskite semiconductors
Authors: Do T. Thu Ha , Granados del Águila Andrés , Xing Jun , Liu Sheng , Xiong Qihua
Published: August 2020

Atomically thin layers of two-dimensional lead halide perovskite semiconductors exhibit prominent light emission due to the inherently strong quantum and dielectric confinement. Electronic band structures and coupled electron–hole pairs (excitons), which govern the optical properties, are not well understood in these emergent two-dimensional materials. Here, we have performed both the steady-state and time-resolved photoluminescence spectroscopies with varying temperature to study the optical responses of a high-quality (PEA)2PbI4 single crystal. We observe a multitude of exciton transitions with different responses to temperature that suggests their different origins. Furthermore, our results suggest that the photoluminescence of layered perovskites is dominated by direct exciton transitions at low temperatures, while by an indirect exciton at high temperatures that can be explained by our proposed exciton band structure incorporating the interplay of Coulomb and Rashba effects. Our study sheds light on the intrinsic optical properties of two-dimensional perovskites that may be beneficial for the novel applications of perovskite-based devices.
A tunable gradient impedance matching layer based on piezoelectric materials with external circuits
Authors: Wu Jien , Yang Yuzhen , Jia Han , Xu Xiangyuan , Yang Jun , He Zhaojian , Deng Ke
Published: August 2020

The impedance step between different materials inevitably leads to serious energy loss during acoustic emission, transmission, and receiving. In this paper, a tunable gradient impedance matching layer (TGIML) was designed and fabricated to eliminate the impedance step. The TGIML was composed of periodical piezoelectric disks with shunting capacitors. Through the elaborate modulation of the capacitances of the shunting capacitors, the proposed TGIML can adapt interfaces formed by different materials. Two interfaces formed by solid rods were constructed to demonstrate the performance of the TGIML. The simulated and experimental results verified that, after inserting the TGIML, the transmission could be enhanced significantly in a wide frequency range for both interfaces. We believe that the proposed TGIML has great potential for wide applications in the development of ultrasound transducers, nondestructive testing, and energy harvesting.
Output microwave characteristics of a Ka-band relativistic klystron amplifier with spatially nonuniform multibeam electron emission
Authors: Wang Tengfang , Huang Hua , Chen Fang , Li Shifeng , Liu Zhenbang , Zhao Guangyi , Jin Xiao , Peng Shuming
Published: August 2020

The effects of spatial nonuniformity of electron multibeam emission on the output characteristics of a coaxial multibeam Ka-band relativistic klystron amplifier (RKA) are investigated using particle-in-cell simulations. The spatial nonuniformity is simulated using four different electron multibeam emission models, with (1) a continuous cathode non-emission area, (2) discontinuous cathode emission areas, (3) discontinuous cathode emission areas with different electron emission current densities, and (4) cathode emission areas with different and time-varying electron emission current densities. The simulation results with the first model show that the output microwave power of the RKA decreases as the continuous non-emission area increases, but that size of the continuous non-emission area has little effect on the frequency and pulse width of the RKA. The results with the second model show that the more uniform the electron current density in the discontinuous emission areas, the greater the output microwave power. The results with the third model show that the more uniform the distribution of the Z component of the induced electromagnetic field in the discontinuous emission areas, the greater the output microwave power, and also that the output microwave power increases as this Z component increases. The results with the fourth model show that fluctuations in the electron current density in the discontinuous emission areas in the steady-state phase of RKA operation cause fluctuations in both microwave frequency and output microwave power and that these fluctuations increase as the fluctuations in electron current density become stronger and as they become more rapid.