bluuebunny/crossref_metadata_2025 huggingface dataset:
Publisher Correction: COVID-19-associated acute kidney injury: consensus report of the 25th Acute Disease Quality Initiative (ADQI) Workgroup
Authors: Nadim Mitra K. , Forni Lui G. , Mehta Ravindra L. , Connor Michael J. , Liu Kathleen D. , Ostermann Marlies , Rimmelé Thomas , Zarbock Alexander , Bell Samira , Bihorac Azra , Cantaluppi Vincenzo , Hoste Eric , Husain-Syed Faeq , Germain Michael J. , Goldstein Stuart L. , Gupta Shruti , Joannidis Michael , Kashani Kianoush , Koyner Jay L. , Legrand Matthieu , Lumlertgul Nuttha , Mohan Sumit , Pannu Neesh , Peng Zhiyong , Perez-Fernandez Xose L. , Pickkers Peter , Prowle John , Reis Thiago , Srisawat Nattachai , Tolwani Ashita , Vijayan Anitha , Villa Gianluca , Yang Li , Ronco Claudio , Kellum John A.
Published: November 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Phased diploid genome assemblies and pan-genomes provide insights into the genetic history of apple domestication
Authors: Sun Xuepeng , Jiao Chen , Schwaninger Heidi , Chao C. Thomas , Ma Yumin , Duan Naibin , Khan Awais , Ban Seunghyun , Xu Kenong , Cheng Lailiang , Zhong Gan-Yuan , Fei Zhangjun
Published: November 2020

Domestication of the apple was mainly driven by interspecific hybridization. In the present study, we report the haplotype-resolved genomes of the cultivated apple (Malus domesticacv. Gala) and its two major wild progenitors,M. sieversiiandM. sylvestris. Substantial variations are identified between the two haplotypes of each genome. Inference of genome ancestry identifies ~23% of the Gala genome as of hybrid origin. Deep sequencing of 91 accessions identifies selective sweeps in cultivated apples that originated from either of the two progenitors and are associated with important domestication traits. Construction and analyses of apple pan-genomes uncover thousands of new genes, with hundreds of them being selected from one of the progenitors and largely fixed in cultivated apples, revealing that introgression of new genes/alleles is a hallmark of apple domestication through hybridization. Finally, transcriptome profiles of Gala fruits at 13 developmental stages unravel ~19% of genes displaying allele-specific expression, including many associated with fruit quality.
Harnessing the wisdom of crowds can improve guideline compliance of antibiotic prescribers and support antimicrobial stewardship
Authors: Krockow Eva M. , Kurvers R. H. J. M. , Herzog S. M. , Kämmer J. E. , Hamilton R. A. , Thilly N. , Macheda G. , Pulcini C.
Published: November 2020

Antibiotic overprescribing is a global challenge contributing to rising levels of antibiotic resistance and mortality. We test a novel approach to antibiotic stewardship. Capitalising on the concept of “wisdom of crowds”, which states that a group’s collective judgement often outperforms the average individual, we test whether pooling treatment durations recommended by different prescribers can improve antibiotic prescribing. Using international survey data from 787 expert antibiotic prescribers, we run computer simulations to test the performance of the wisdom of crowds by comparing three data aggregation rules across different clinical cases and group sizes. We also identify patterns of prescribing bias in recommendations about antibiotic treatment durations to quantify current levels of overprescribing. Our results suggest that pooling the treatment recommendations (using the median) could improve guideline compliance in groups of three or more prescribers. Implications for antibiotic stewardship and the general improvement of medical decision making are discussed. Clinical applicability is likely to be greatest in the context of hospital ward rounds and larger, multidisciplinary team meetings, where complex patient cases are discussed and existing guidelines provide limited guidance.
Mitophagy-associated genes PINK1 and PARK2 are independent prognostic markers of survival in papillary renal cell carcinoma and associated with aggressive tumor behavior
Authors: Simon Adrian Georg , Tolkach Yuri , Esser Laura Kristin , Ellinger Jörg , Stöhr Christine , Ritter Manuel , Wach Sven , Taubert Helge , Stephan Carsten , Hartmann Arndt , Kristiansen Glen , Branchi Vittorio , Toma Marieta Ioana
Published: November 2020

The aim of this study was to investigate the mitophagy-related genes PINK1 and PARK2 in papillary renal cell carcinoma and their association with prognosis. In silico data of PINK1 and PARK2 were analyzed in TCGA cohorts of papillary renal cell carcinoma comprising 290 tumors and 33 corresponding non-neoplastic renal tissues. Protein expression data from a cohort of 95 papillary renal cell carcinoma patients were analyzed and associated with clinical-pathological parameters including survival. PINK1 and PARK2 were significantly downregulated in papillary renal cell carcinoma at transcript and protein levels. Reduced transcript levels of PINK1 and PARK2 were negatively associated with overall survival (p < 0.05). At the protein level, PARK2 and PINK1 expression were positively correlated (correlation coefficient 0.286, p = 0.04) and reduced PINK1 protein expression was prognostic for shorter survival. Lower PINK1 protein levels were found in tumors with metastases at presentation and in tumors of higher pT-stages. The multivariate analysis revealed mRNA expression of PINK1 and PARK2 as well as PINK1 protein expression as independent prognostic factors for shorter overall survival. The downregulation of PINK1 is a strong predictor of poor survival in papillary renal cell carcinoma. Immunohistochemical PINK1 expression in resected pRCC should be considered as an additional prognostic marker for routine practice.
Specifically bound BZIP transcription factors modulate DNA supercoiling transitions
Authors: Hörberg Johanna , Reymer Anna
Published: November 2020

Torsional stress on DNA, introduced by molecular motors, constitutes an important regulatory mechanism of transcriptional control. Torsional stress can modulate specific binding of transcription factors to DNA and introduce local conformational changes that facilitate the opening of promoters and nucleosome remodelling. Using all-atom microsecond scale molecular dynamics simulations together with a torsional restraint that controls the total twist of a DNA fragment, we address the impact of torsional stress on DNA complexation with a human BZIP transcription factor, MafB. We gradually over- and underwind DNA alone and in complex with MafB by 0.5° per dinucleotide step, starting from the relaxed state to a maximum of 5° per dinucleotide step, monitoring the evolution of the protein-DNA contacts at different degrees of torsional strain. Our computations show that MafB changes the DNA sequence-specific response to torsional stress. The dinucleotide steps that are susceptible to absorbing most of the torsional stress become more torsionally rigid, as they are involved in protein-DNA contacts. Also, the protein undergoes substantial conformational changes to follow the stress-induced DNA deformation, but mostly maintains the specific contacts with DNA. This results in a significant asymmetric increase of free energy of DNA twisting transitions, relative to free DNA, where overtwisting is more energetically unfavourable. Our data suggest that specifically bound BZIP factors could act as torsional stress insulators, modulating the propagation of torsional stress along the chromatin fibre, which might promote cooperative binding of collaborative DNA-binding factors.
Cleavable hairpin beacon-enhanced fluorescence detection of nucleic acid isothermal amplification and smartphone-based readout
Authors: Ding Xiong , Yin Kun , Li Ziyue , Pandian Vikram , Smyth Joan A. , Helal Zeinab , Liu Changchun
Published: November 2020

Fluorescence detection of nucleic acid isothermal amplification utilizing energy-transfer-tagged oligonucleotide probes provides a highly sensitive and specific method for pathogen detection. However, currently available probes suffer from relatively weak fluorescence signals and are not suitable for simple, affordable smartphone-based detection at the point of care. Here, we present a cleavable hairpin beacon (CHB)-enhanced fluorescence detection for isothermal amplification assay. The CHB probe is a single fluorophore-tagged hairpin oligonucleotide with five continuous ribonucleotides which can be cleaved by the ribonuclease to specifically initiate DNA amplification and generate strong fluorescence signals. By coupling with loop-mediated isothermal amplification (LAMP), the CHB probe could detect Borrelia burgdorferi (B. burgdorferi) recA gene with a sensitivity of 100 copies within 25 min and generated stronger specific fluorescence signals which were easily read and analysed by our programmed smartphone. Also, this CHB-enhanced LAMP (CHB-LAMP) assay was successfully demonstrated to detect B. burgdorferi DNA extracted from tick species, showing comparable results to real-time PCR assay. In addition, our CHB probe was compatible with other isothermal amplifications, such as isothermal multiple-self-matching-initiated amplification (IMSA). Therefore, CHB-enhanced fluorescence detection is anticipated to facilitate the development of simple, sensitive smartphone-based point-of-care pathogen diagnostics in resource-limited settings.
Income is associated with hippocampal/amygdala and education with cingulate cortex grey matter volume
Authors: Lotze M. , Domin M. , Schmidt C. O. , Hosten N. , Grabe H. J. , Neumann N.
Published: November 2020

Income and education are both elements of a person’s socioeconomic status, which is predictive of a broad range of life outcomes. The brain’s gray matter volume (GMV) is influenced by socioeconomic status and mediators related to an unhealthy life style. We here investigated two independent general population samples comprising 2838 participants (all investigated with the same MRI-scanner) with regard to the association of indicators of the socioeconomic status and gray matter volume. Voxel-based morphometry without prior hypotheses revealed that years of education were positively associated with GMV in the anterior cingulate cortex and net-equivalent income with gray matter volume in the hippocampus/amygdala region. Analyses of possible mediators (alcohol, cigarettes, body mass index (BMI), stress) revealed that the relationship between income and GMV in the hippocampus/amygdala region was partly mediated by self-reported stressors, and the association of years of education with GMV in the anterior cingulate cortex by BMI. These results corrected for whole brain effects (and therefore not restricted to certain brain areas) do now offer possibilities for more detailed hypotheses-driven approaches.
Modelling the challenges of managing free-ranging dog populations
Authors: Belsare Aniruddha , Vanak Abi Tamim
Published: November 2020

Free-ranging domestic dogs (FRD) are not only vectors of zoonoses of public health concern, but also pose direct threats to humans, livestock, and endangered wildlife. Many developing countries have struggled to control FRD, despite using both lethal and non-lethal methods. India has amongst the highest FRD populations globally and the highest incidences of dog-mediated human rabies, but only deploys Catch–Neuter–Vaccinate–Release (CNVR) for FRD control as a humane alternative to lethal methods, without evidence of it working successfully. Here, we use an agent-based dog population dynamics model to examine the time, effort, financial resources, and conditions needed to successfully control FRD in a typical urban setting. We simulate several scenarios, from an “ideal world” closed population with easily accessible dogs, to a more realistic open population with heterogeneity in catchability of dogs. In only one “best-case” scenario, CNVR resulted in a significant and lasting reduction in FRD, but with vaccination rates peaking only at 35%, which is half the WHO-recommended coverage. The customisable and portable modelling tool that we have developed allows managers to simulate real world processes and understand the expected effort needed to reduce regional dog populations, and assess methods for achieving effective anti-rabies vaccination coverage.
Super-resolution high-speed optical microscopy for fully automated readout of metallic nanoparticles and nanostructures
Authors: Alexandrov Andrey , Asada Takashi , De Lellis Giovanni , Di Crescenzo Antonia , Gentile Valerio , Naka Tatsuhiro , Tioukov Valeri , Umemoto Atsuhiro
Published: November 2020

We have designed a fully automated optical microscope running at high-speed and achieving a very high spatial resolution. In order to overcome the resolution limit of optical microscopes, it exploits the localized surface plasmon resonance phenomenon. The customized setup using a polarization analyzer, based on liquid crystals, produces no vibrations and it is capable of probing isolated nanoparticles. We tested its performance with an automated readout using a fine-grained nuclear emulsion sample exposed to 60 keV carbon ion beam and, for the first time, successfully reconstructed the directional information from ultra-short tracks produced by such low-energetic ions using a solid-state tracking detector.
Chronic heat stress regulates the relation between heat shock protein and immunity in broiler small intestine
Authors: Siddiqui Sharif Hasan , Kang Darae , Park Jinryong , Khan Mousumee , Shim Kwanseob
Published: November 2020

Chronic heat stress is considered to decrease the immune functions which makes negative effect on broiler growth performance. Here, we investigated the relationship between chronic heat stress, growth performance, and immunity in the small intestine of broilers. The study included two groups (control and heat stressed group) with eight replications per group. Ten broilers of 20-day aged were allocated in each replication. On day 35, the treatment group was subdivided into two groups based on their body weights (heavy and low body weight). Although, there was only the control and treatment group on day 28. The growth performance decreased and expression of heat shock protein 70 (HSP70), HSP60, and HSP47 increased on days 28 and 35 in the chronic heat stress group as compared with those in the control group. The expression levels of HSPs were significantly higher in the low body weight group than in the control group. The genes HSP70 and HSP60 were significantly associated with pro- and anti-inflammatory cytokines in the small intestine of the broilers of the treatment group. Thus, HSP70 and HSP60 activated the adaptive immunity in the small intestines of the broilers from the treatment group to allow adaptation to chronic heat stress environment.
Absorption cross section of gold nanoparticles based on NIR laser heating and thermodynamic calculations
Authors: Alrahili Mazen , Savchuk Viktoriia , McNear Kelly , Pinchuk Anatoliy
Published: November 2020

We present a method for measuring the optical absorption cross section ($$\sigma_{abs}$$

σ

abs

) of gold nanoparticles (GNPs) based on optically heating the solution of GNPs with an 808 nm near-infrared (NIR) laser and measuring the temperature increase of the solution. We rely on the theoretical calculations based on the heat diffusion equations and experimental measurements based on the energy balance equations to measure the $$\sigma_{abs}$$

σ

abs

and the temperature distribution of single GNPs. Several morphologies, including gold nanospheres (GNSs), spherical gold nanoparticle conjugate (AuNPC), which are 20 nm GNSs surface-functionalized with an IR 808 dye, gold nanorods (GNRs), and gold nanourchins (GNUs), were studied. The study found that a single 20 nm GNS has the lowest $$\sigma_{abs}$$

σ

abs

and temperature distribution as compared to 100 nm GNUs. By increasing the size of GNSs from 20 to 30 nm, the magnitude of $$\sigma_{abs}$$

σ

abs

as well as temperature distribution increases by a factor of 5. The $$\sigma_{abs}$$

σ

abs

values of 20 and 30 nm GNSs calculated by Mie theory and the experimentally measured are in a good agreement. GNRs with equivalent radius ($$R_{eq}$$

R

eq

) 9.16 nm show the second lowest $$\sigma_{abs}$$

σ

abs

. By increasing the $$R_{eq}$$

R

eq

by a factor of 2 to 19.2 nm, the measured $$\sigma_{abs}$$

σ

abs

and temperature distribution also increased by a factor of 2. We also estimated $$\sigma_{abs}$$

σ

abs

for GNUs with diameters at 80 and 100 nm, which also have higher $$\sigma_{abs}$$

σ

abs

values. This work confirms that we can use temperature to accurately measure the $$\sigma_{abs}$$

σ

abs

of a variety of GNPs in solution.
Light source optimization for partially coherent holographic displays with consideration of speckle contrast, resolution, and depth of field
Authors: Lee Seungjae , Kim Dongyeon , Nam Seung-Woo , Lee Byounghyo , Cho Jaebum , Lee Byoungho
Published: November 2020

Speckle reduction is an important topic in holographic displays as speckles not only reduce signal-to-noise ratio but also possess an eye-safety issue. Despite thorough exploration of speckle reduction methods using partially coherent light sources, the trade-off involved by the partial coherence has not been thoroughly discussed. Here, we introduce theoretical models that quantify the effects of partial coherence on the resolution and the speckle contrast. The theoretical models allow us to find an optimal light source that maximizes the speckle reduction while minimizing the decline of the other terms. We implement benchtop prototypes of partially coherent holographic displays using the optimal light source, and verify the theoretical models via simulation and experiment. We also present a criterion to evaluate the depth of field in partially coherent holographic displays. We conclude with a discussion about approximations and limitations inherent in the theoretical models.
Hybrid carbon thermal interface materials for thermoelectric generator devices
Authors: Chung Seok-Hwan , Kim Jong Tae , Kim Dong Hwan
Published: November 2020

Thermal interface materials (TIMs) are extensively used in electronic devices as efficient heat transfer materials. We fabricated all-carbon TIMs by hybridizing single-wall carbon nanotubes (SWCNTs) with graphite and demonstrated their performance by applying them to a thermoelectric generator (TEG) device. The hybrid carbon TIM exhibited maximum thermal conductivity when the SWCNT content was near 10 wt%. The TIM thermal contact resistance measured by a home-made calorimeter setup was 2.19 × 10−4 m2K/W, which did not vary with temperature but decreased with applied pressure. Post-treatment of the TIM with a silane coupling agent further reduced the TIM thermal contact resistance by 30%. When the TIM was placed between a TEG device and a copper heat reservoir, the TEG output power increased with the temperature difference across the TEG and applied pressure. Moreover, the post-treatment of the TIM enhanced the output power of the TEG device by up to 18.5%. This work provides a simple and effective pathway towards a carbon-based TIM that can be applied to a high temperature TEG.
Heavy Metal contamination of Dietary Supplements products available in the UAE markets and the associated risk
Authors: Jairoun Ammar Abdulrahman , Shahwan Moyad , Zyoud Sa’ed H.
Published: November 2020

A specific safety concern is the possibility that a dietary supplement could be contaminated with heavy metals. This research was undertaken to investigate the daily exposure levels of heavy metals in dietary supplements available in the UAE and to explore the factors associated with the contamination of dietary supplements with heavy metals. A total of 277 dietary supplement samples were collected from the UAE market and prepared for the analysis of selected heavy metal contamination. Inductively coupled plasma mass spectrometry (ICP-MS) was used to determine the presence of heavy metals. The average daily intake of cadmium was 0.73 μg [95% CI 0.61–0.85], compared to the acceptable daily intake (ADI) of 6 μg; the daily intake of lead was 0.85 μg [95% CI 0.62–1.07], compared to the acceptable daily intake (ADI) of 20 μg; and the daily intake of arsenic was 0.67 μg [95% CI 0.57–0.78], compared to the acceptable daily intake of 10 μg. Although the dietary supplements available in the UAE have low levels of heavy metal contamination, numerous individuals are consuming a number of different dietary supplements every day and thereby may experience a cumulative level of toxic exposure. Dietary supplements formulations (Categories), dosage forms and country of origin are strong determents of heavy metal contamination in dietary supplements products.
Pharmacokinetic–pharmacodynamic modelling of the hypoglycaemic effect of pulsatile administration of human insulin in rats
Authors: Miyazaki Makoto , Hayata Mariko , Samukawa Noriaki , Iwanaga Kazunori , Nagai Junya
Published: November 2020

The relationship between the plasma insulin (INS) concentration–time course and plasma glucose concentration–time course during and after pulsatile INS administration to rats was characterized using a pharmacokinetic–pharmacodynamic (PK–PD) model. A total INS dose of 0.5 IU/kg was intravenously injected in 2 to 20 pulses over a 2-h period. Compared with the single bolus administration, the area under the effect-time curve (AUE) increased depending on the number of pulses, and the AUEs for more than four pulses plateaued at a significantly larger value, which was similar to that after the infusion of a total of 0.5 IU/kg of INS over 2 h. No increase in plasma INS concentration occurred after pulsatile administration. Two indirect response models primarily reflecting the receptor-binding process (IR model) or glucose transporter 4 (GLUT4) translocation (GT model) were applied to describe the PK–PD relationship after single intravenous bolus administration of INS. These models could not explain the observed data after pulsatile administration. However, the IR-GT model, which was a combination of the IR and GT models, successfully explained the effects of pulsatile administration and intravenous infusion. These results indicate that the receptor-binding process and GLUT4 translocation are responsible for the change in AUE after pulsatile administration.
Mechanistic insight into methane dry reforming over cobalt: a density functional theory study
Authors: Huang Heyuan , Yu Yingzhe , Zhang Minhua
Published: November 2020

Mechanism of methane dry reforming over Co(0001).
How does DNA ‘meet’ capillary-based microsystems?
Authors: Hong Tingting , Qiu Lin , Zhou Shuwen , Cai Zhiqiang , Cui Pengfei , Zheng Ronghui , Wang Jianhao , Tan Songwen , Jiang Pengju
Published: November 2020

This manuscript reviews recent developments in combining DNA and capillary-based microsystems.
Monitoring stem cell differentiation using Raman microspectroscopy: chondrogenic differentiation, towards cartilage formation
Authors: Ravera Francesca , Efeoglu Esen , Byrne Hugh J.
Published: November 2020

Raman microspectroscopy is employed to monitor the differentiation of mesenchymal stem cells to chondrocytes, from subcellular to extracellular matrix evolution.
Interaction potential energy surface between superatoms
Authors: Zhang Qingyue , Gao Yang , Wang Rui , Zhu Yu , Xie Weiyu , Schreckenbach Georg , Wang Zhigang
Published: November 2020

Potential energy surface of superatoms associated with distance and angle.
S-Mg2(dobpdc): a metal–organic framework for determining chirality in amino acids
Authors: Tay Hui Min , Rawal Aditya , Hua Carol
Published: November 2020

Solid-state 13C NMR was used to differentiate the d- and l-enantiomers of three BOC-protected amino acids (Ala, Val, Pro) when appended to the chiral S-Mg2dobpdc MOF.
Cu single-atoms embedded in porous carbon nitride for selective oxidation of methane to oxygenates
Authors: Wu Bo , Yang Ruoou , Shi Lei , Lin Tiejun , Yu Xing , Huang Min , Gong Kun , Sun Fanfei , Jiang Zheng , Li Shenggang , Zhong Liangshu , Sun Yuhan
Published: November 2020

Cu-SAs/C3N4with Cu–N4as active sites exhibited high activity and high oxygenate selectivity for methane conversion at ambient temperature.
Dynamic chiral cyclohexanohemicucurbit[12]uril
Authors: Mishra Kamini A. , Adamson Jasper , Öeren Mario , Kaabel Sandra , Fomitšenko Maria , Aav Riina
Published: November 2020

Chiral 12-membered hemicucurbituril adopts octagon shape and has temperature-dependent cavity dynamics.
Direct salinization of trelagliptin from solid forms by mechanochemistry and its mechanism of salt formation
Authors: Xu Kailin , Qian Menglin , Leng Jiewu , Bai Jie , Li Qinglan , Liu Zihong , Zhong Shijuan , Zhao Suqing
Published: November 2020

The direct salinization of trelagliptin from solid forms by mechanochemistry was developed, which clarified that similar intermolecular interactions and any factor inducing proton transfer have a vital role in the formation of API salts.
Mutation of position 5 as a crystal engineering tool for a NIR-emitting DNA-stabilized Ag16 nanocluster
Authors: Cerretani Cecilia , Kondo Jiro , Vosch Tom
Published: November 2020

Mutation of position 5 allows modification of the crystal packing of asymmetric DNA-Ag16NC units.
2D black arsenic phosphorus and its application for anodes of lithium ion batteries
Authors: Hou Yanyan , Ma Shufang , Liu Qingming , Zhang Shuai , Chu Yangyang , Hao Xiaodong , Han Bin , Xu Bingshe
Published: November 2020

Two-dimensional (2D) structured black arsenic phosphorus (B-AsP) compound materials play a pivotal role in a wide range of applications due to their exotic physical properties and flexible architectures.
Spectroscopic evidence of n → π* interactions involving carbonyl groups
Authors: Sahariah Biswajit , Sarma Bani Kanta
Published: November 2020

n → π* interactions involving carbonyl groups can be detected in solution by using common spectroscopic methods such as IR, UV-Vis, and NMR if the interactions are relatively strong (>1.5 kcal mol−1).
Unveiling the potential of superalkali cation Li3+for capturing nitrogen
Authors: Yu Dan , Wu Di , Liu Jing-Yao , Li Ying , Sun Wei-Ming
Published: November 2020

The potential of the superalkali cation Li3+for capturing N2and its behavior in gaseous nitrogen have been theoretically studied at the MP2/6-311+G(d) level.
Tritium diffusion in a Li2TiO3 crystal terminated with the (001) surface from first-principles calculations
Authors: Su Jin-Yang , Yang Wen , Zhu Jia-Hong , Wang Wei-Hua , Li Kun , Liu Shu-Ping , Li Yong-Tang
Published: November 2020

The tritium atom would overcome an energy barrier of about 1.56 eV to hop from the inside of the Li2TiO3 crystal to the (001) surface and diffuse preferentially along the [100] direction on the surface.
A novel three-dimensional Fe3SnC/C hybrid nanofiber absorber for lightweight and highly-efficient microwave absorption
Authors: Guan Guangguang , Gao Guojun , Xiang Jun , Yang Jingnan , Li Xiaoqiang , Zhang Kaiyin
Published: November 2020

3D Fe3SnC/C hybrid nanofibers have superior microwave absorption properties. The optimal reflection loss reaches −119.2 dB at 17.1 GHz.
In silicoinvestigation of Cu(In,Ga)Se2-based solar cells
Authors: Mirhosseini Hossein , Kormath Madam Raghupathy Ramya , Sahoo Sudhir K. , Wiebeler Hendrik , Chugh Manjusha , Kühne Thomas D.
Published: November 2020

State-of-the-art methods in materials science such as artificial intelligence and data-driven techniques advance the investigation of photovoltaic materials.
Electric polarization related Dirac half-metallicity in Mn-trihalide Janus monolayers
Authors: Li Zheng , Zhang Jianing , Zhou Baozeng
Published: November 2020

Due to the large electric polarization, the hybridization intensities of Mn and the halogen atoms on both sides of Mn2Cl3I3 are very different, resulting in an obvious distortion of the spin-polarized Dirac cone.
Efficient planar plasmonic directional launching of linearly polarized light in a catenary metasurface
Authors: Chen Panpan , Chen Cong , Qin Saisai , Xi Jianxin , Huang Wanxia , Shi Fenghua , Li Kuanguo , Liang Li , Shi Jianping
Published: November 2020

Under the normal incidence of p-polarized light at 750 nm, the numerical extinction ratio reached up to 35 dB and the measured extinction ratio reached up to 24 dB.
Brønsted acid-mediated reactions of ynamides
Authors: Chen Yang-Bo , Qian Peng-Cheng , Ye Long-Wu
Published: November 2020

This review summarizes the latest trends and developments of Brønsted acid-mediated reactions of ynamides, including cycloaddition, cyclization and so on.
Metal–organic frameworks: a future toolbox for biomedicine?
Authors: Mendes Ricardo F. , Figueira Flávio , Leite José P. , Gales Luís , Almeida Paz Filipe A.
Published: November 2020

The present review focuses on the use of Metal–Organic Frameworks, (MOFs) highlighting the most recent developments in the biological field and as bio-sensors.
Utilization of counter anions for charge transportation in the electrical device fabrication of Zn(ii) metal–organic frameworks
Authors: Das Krishna Sundar , Pal Baishakhi , Saha Sayan , Akhtar Sohel , De Avik , Ray Partha Pratim , Mondal Raju
Published: November 2020

The present work reports the fabrication of anion-induced electrical devices with Zn(ii) metal–organic frameworks.
Field-induced slow magnetic relaxation from linear trinuclear CoIII–CoII–CoIII to grid [2 × 2] tetranuclear mixed-valence cobalt complexes
Authors: Yang Meng , Ouyang Zhi-Jian , Zhong Yun-Jing , Cai Jia-Wei , Li Xiao-Hui , Dong Wen
Published: November 2020

Two linear trinuclear CoIII–CoII–CoIII and two [2 × 2] grid-like tetranuclear mixed-valence cobalt complexes with their field-induced slow magnetic relaxations are reported.
Two-dimensional organic–inorganic superlattice-like heterostructures for energy storage applications
Authors: Xiong Pan , Wu Yunyan , Liu Yifan , Ma Renzhi , Sasaki Takayoshi , Wang Xin , Zhu Junwu
Published: November 2020

Recent progress in 2D organic–inorganic superlattices by alternate stacking of organic layers and inorganic sheets is reviewed.
Modulation of gut microbiota and intestinal barrier function during alleviation of antibiotic-associated diarrhea with Rhizoma Zingiber officinale (Ginger) extract
Authors: Ma Zhi-jie , Wang Huan-jun , Ma Xiao-jing , Li Yue , Yang Hong-jun , Li Hui , Su Jian-rong , Zhang Cong-en , Huang Lu-qi
Published: November 2020

Ginger extract showed beneficial effects on rats with antibiotic-associated diarrhea, and the underlying mechanism might be associated with the recovery of gut microbiota and intestinal barrier function.
Akebia Saponin D suppresses inflammation in chondrocytes via the NRF2/HO-1/NF-κB axis and ameliorates osteoarthritis in mice
Authors: Gu Mingbao , Jin Jie , Ren Chenghao , Chen Ximiao , Gao Weiyang , Wang Xiangyang , Wu Yaosen , Tian Naifeng , Pan Zongyou , Wu Aimin , Zhou Yifei , Zhang Xiaolei
Published: November 2020

Akebia Saponin D promotes the translocation of NRF2 into nucleus, activates NRF2/HO-1 pathway and inhibits NF-κB pathway in chondrocytes, and ultimately alleviates osteoarthritis development.
Antibacterial action of peptide F1 against colistin resistance E. coli SHP45 (mcr-1)
Authors: Wang Qun , Miao Jianyin , Feng Konglong , Liu Jianhua , Li Wei , Li Jun , Yang Zhijie , Cao Yong
Published: November 2020

Antimicrobial peptide F1 can destroy the liposome structure of the phospholipid bilayer by destroying the outer and inner membranes of bacteria to inhibit the growth of colistin resistance E. coli SHP45 (mcr-1) without depending on LPS.
Tuning the molar mass and substitution pattern of complex xylans from corn fibre using subcritical water extraction
Authors: Rudjito Reskandi C. , Jiménez-Quero Amparo , Hamzaoui Mahmoud , Kohnen Stéphane , Vilaplana Francisco
Published: November 2020

Subcritical water tunes the molar mass and substitution pattern of complex xylans from corn fibre, preserving the bound ferulic monomers and dimers.
From ‘Gift’ to gift: producing organic solvents from CO2
Authors: Chen Zhengkai , Du Shiying , Zhang Jiajun , Wu Xiao-Feng
Published: November 2020

The latest advances in the field of production of commonly used organic solvents from CO2 are summarized and discussed.
Heterologous production and functional characterization of Bradyrhizobium japonicum copper-containing nitrite reductase and its physiological redox partner cytochrome c550
Authors: Cristaldi Julio C , Ferroni Felix M , Duré Andrea B , Ramírez Cintia S , Dalosto Sergio D , Rizzi Alberto C , González Pablo J , Rivas Maria G , Brondino Carlos D
Published: November 2020

Two domain copper-nitrite reductases (NirK) contain two types of copper centers, one electron transfer (ET) center of type 1 (T1) and a catalytic site of type 2 (T2). NirK activity is pH-dependent, which has been suggested to be produced by structural modifications at high pH of some catalytically relevant residues. To characterize the pH-dependent kinetics of NirK and the relevance of T1 covalency in intraprotein ET, we studied the biochemical, electrochemical, and spectroscopic properties complemented with QM/MM calculations of Bradyrhizobium japonicum NirK (BjNirK) and of its electron donor cytochrome c550 (BjCycA). BjNirK presents absorption spectra determined mainly by a S(Cys)3pπ → Cu2+ ligand-to-metal charge-transfer (LMCT) transition. The enzyme shows low activity likely due to the higher flexibility of a protein loop associated with BjNirK/BjCycA interaction. Nitrite is reduced at high pH in a T1-decoupled way without T1 → T2 ET in which proton delivery for nitrite reduction at T2 is maintained. Our results are analyzed in comparison with previous results found by us in Sinorhizobium meliloti NirK, whose main UV-vis absorption features are determined by S(Cys)3pσ/π → Cu2+ LMCT transitions.
New β-ketophosphonates for the synthesis of prostaglandin analogues. 2 Phosphonates with bicyclo[3.3.0]octene and bicyclo[3.3.0]octane scaffolds linked to the β-keto group
Authors: Tănase Constantin I. , Drăghici Constantin , Caproiu Miron Teodor
Published: November 2020

β-Ketophosphonates, with the keto group linked to a bicyclo[3.3.0]oct(a)ene fragment, were synthesized starting from two diacids.
Simplistic one-pot synthesis of an inorganic–organic cubic caged material: a new interface for detecting toxic bisphenol-A electrochemically
Authors: Ananthakrishnan Dhurkasini , Venkatesvaran Harikrishnan , Kannan Aarthi , Gandhi Sakthivel
Published: November 2020

Polyhedral oligomeric silsesquioxane (POSS) based hybrid nanomaterials have been terminally functionalised with three different functional groups and are newly explored for the electrochemical sensing of bisphenol A.
Tuning exciton diffusion, mobility and emission line width in CdSe nanoplatelets via lateral size
Authors: Achtstein Alexander W. , Ayari Sabrine , Helmrich Sophia , Quick Michael T. , Owschimikow Nina , Jaziri Sihem , Woggon Ulrike
Published: November 2020

We investigate the lateral size tunability of the exciton diffusion coefficient and mobility in colloidal quantum wells by means of line width analysis and theoretical modeling.
Spontaneous, solvent-free entrapment of siRNA within lipid nanoparticles
Authors: Kulkarni Jayesh A. , Thomson Sarah B. , Zaifman Josh , Leung Jerry , Wagner Pamela K. , Hill Austin , Tam Yuen Yi C. , Cullis Pieter R. , Petkau Terri L. , Leavitt Blair R.
Published: November 2020

We show that siRNA encapsulation within a lipid nanoparticle (LNP) can occur in the absence of organic solvent and use these studies to propose a mechanism by which siRNA is entrapped during the LNP formulation process.
Extended gate-type organic transistor functionalized by molecularly imprinted polymer for taurine detection
Authors: Zhou Qi , Wang Mengqiao , Yagi Shunsuke , Minami Tsuyoshi
Published: November 2020

An extended-gate organic field-effect transistor functionalized by a molecularly imprinted polymer was fabricated for selective and sensitive detection of taurine.
Enhancing the peroxidase-like activity and stability of gold nanoparticles by coating a partial iron phosphate shell
Authors: Huang Zhicheng , Liu Biwu , Liu Juewen
Published: November 2020

The peroxidase-like activity of gold nanoparticles is significantly enhanced by coating a partial shell of iron phosphate, while a full shell inhibits the activity. This reaction has a high selectivity and sensitivity for Fe2+.
Recent advances in the synthesis of fluorinated compounds via an aryne intermediate
Authors: Rahman Matiur , Bagdi Avik Kumar , Kopchuk Dmitry S. , Kovalev Igor S. , Zyryanov Grigory V. , Chupakhin Oleg N. , Majee Adinath , Hajra Alakananda
Published: November 2020

In this review, the usefulness of aryne intermediates for the synthesis of various fluorinated organic compounds during the last decade has been demonstrated.
Synthetic feasibility of oxygen-driven photoisomerizations of alkenes and polyenes
Authors: Turque Oliver , Greer Alexander , Wauchope Orrette R.
Published: November 2020

Photogeneration of a peroxy intermediate leads to oxygen evolution along with regeneration of the compound as its isomer. The review is arranged to probe patterns of isomer arrangements (pun intended).
Advances in Cu and Ni-catalyzed Chan–Lam-type coupling: synthesis of diarylchalcogenides, Ar2–X (X = S, Se, Te)
Authors: Fernandes Rodney A. , Bhowmik Amit , Yadav Sandhya S.
Published: November 2020

Advances in the Cu and Ni-catalyzed Chan–Lam-type coupling of aryl/heteroarylboronic acids with various chalcogen sources for diarylsulfide, diarylselenide and diaryltelluride synthesis are covered in this review.
Sequence-defined l-glutamamide oligomers with pendant supramolecular motifs via iterative synthesis and orthogonal post-functionalization
Authors: Ślęczkowski Marcin L. , Segers Ian , Liu Yiliu , Palmans Anja R. A.
Published: November 2020

One of the great challenges in polymer chemistry is to achieve discrete and sequence-defined synthetic polymers that fold in defined conformations and form well-defined three-dimensional structured particles.
High blocking temperatures for DyScS endohedral fullerene single-molecule magnets
Authors: Cai Wenting , Bocarsly Joshua D. , Gomez Ashley , Letona Lee Rony J. , Metta-Magaña Alejandro , Seshadri Ram , Echegoyen Luis
Published: November 2020

Extremely high magnetic blocking temperatures (∼7.3 K) were observed for DyScS endohedral fullerene single-molecule magnets.
Characterization of N-phenylmaleimide-terminated poly(ethylene glycol)s and their application to a tetra-arm poly(ethylene glycol) gel
Authors: Takashima Rikito , Ohira Masashi , Yokochi Hirogi , Aoki Daisuke , Li Xiang , Otsuka Hideyuki
Published: November 2020

Characterization of N-phenylmaleimide-terminated poly(ethylene glycol)s and their application to a tetra-arm poly(ethylene glycol) gels
Endogenous Rab29 does not impact basal or stimulated LRRK2 pathway activity
Authors: Kalogeropulou Alexia F. , Freemantle Jordana B. , Lis Pawel , Vides Edmundo G. , Polinski Nicole K. , Alessi Dario R.
Published: November 2020

Mutations that enhance LRRK2 protein kinase activity cause inherited Parkinson's disease. LRRK2 phosphorylates a group of Rab GTPase proteins, including Rab10 and Rab12, within the effector-binding switch-II motif. Previous work has indicated that the PARK16 locus, which harbors the gene encoding for Rab29, is involved in Parkinson's, and that Rab29 operates in a common pathway with LRRK2. Co-expression of Rab29 and LRRK2 stimulates LRRK2 activity by recruiting LRRK2 to the surface of the trans Golgi network. Here, we report that knock-out of Rab29 does not influence endogenous LRRK2 activity, based on the assessment of Rab10 and Rab12 phosphorylation, in wild-type LRRK2, LRRK2[R1441C] or VPS35[D620N] knock-in mouse tissues and primary cell lines, including brain extracts and embryonic fibroblasts. We find that in brain extracts, Rab12 phosphorylation is more robustly impacted by LRRK2 inhibitors and pathogenic mutations than Rab10 phosphorylation. Transgenic overexpression of Rab29 in a mouse model was also insufficient to stimulate basal LRRK2 activity. We observed that stimulation of Rab10 and Rab12 phosphorylation induced by agents that stress the endolysosomal system (nigericin, monensin, chloroquine and LLOMe) is suppressed by LRRK2 inhibitors but not blocked in Rab29 deficient cells. From the agents tested, nigericin induced the greatest increase in Rab10 and Rab12 phosphorylation (5 to 9-fold). Our findings indicate that basal, pathogenic, as well as nigericin and monensin stimulated LRRK2 pathway activity is not controlled by Rab29. Further work is required to establish how LRRK2 activity is regulated, and whether other Rab proteins can control LRRK2 by targeting it to diverse membranes.
Electrochemically detecting DNA methylation in theEN1gene promoter: implications for understanding ageing and disease
Authors: Morgan Amy E. , Acutt Katie D. , Mc Auley Mark T.
Published: November 2020

There is a growing need for biomarkers which predict age-onset pathology. Although this is challenging, the methylome offers significant potential. Cancer is associated with the hypermethylation of many gene promoters, among which are developmental genes. Evolutionary theory suggests developmental genes arbitrate early-late life trade-offs, causing epimutations that increase disease vulnerability. Such genes could predict age-related disease. The aim of this work was to optimise an electrochemical procedure for the future investigation of a broad range of ageing-related pathologies. An electrochemical approach, which adopted three analytical techniques, was used to investigate DNA methylation in the engrailed-1 (EN1) gene promoter. Using synthetic single-stranded DNA, one technique was able to detect DNA at concentrations as low as 10 nM, with methylation status distinguishable at concentrations >25 nM. A negative correlation could be observed between % methylation of a heterogeneous solution and the key electrochemical parameter, charge transfer resistance (Rct; r = −0.982, P<0.01). The technique was applied to the breast cancer cell line Michigan Cancer Foundation-7 (MCF-7), where a similar correlation was observed (r = −0.965, P<0.01). These results suggest electrochemistry can effectively measure DNA methylation at low concentrations of DNA. This has implications for the future detection of age-related disease.
Multi-band behaviour of the TeV blazar PG 1553+113 in optical range on diverse timescales
Authors: Agarwal A. , Mihov B. , Andruchow I. , Cellone S. A. , Anupama G. C. , Agrawal V. , Zola S. , Slavcheva-Mihova L. , Özdönmez A. , Ege Ergün , Raj A. , Mammana L. , Zibecchi L. , Fernández-Lajús E.
Published: November 2020

Context. The TeV BL Lac object PG 1553+113 is one of the primary candidates for a binary supermassive black hole system.

Aims. We study the flux and spectral variability of PG 1553+113 on intra-night to long-term timescales using (i) BVRI data collected over 76 nights from January 2016 to August 2019 involving nine optical telescopes and (ii) historical VR data (including ours) obtained for the period from 2005 to 2019.

Methods. We analysed the light curves using various statistical tests, fitting and cross-correlation techniques, and methods for the search for periodicity. We examined the colour-magnitude diagrams before and after the corresponding light curves were corrected for the long-term variations.

Results. Our intra-night monitoring, supplemented with literature data, result in a low duty cycle of ∼(10–18)%. In April 2019, we recorded a flare, which marks the brightest state of PG 1553+113 for the period from 2005 to 2019: R ≃ 13.2 mag. This flare is found to show a clockwise spectral hysteresis loop on its VR colour-magnitude diagram and a time lag in the sense that the V-band variations lead the R-band ones. We obtain estimates of the radius, the magnetic field strength, and the electron energy that characterize the emission region related to the flare. We find a median period of (2.21 ± 0.04) years using the historical light curves. In addition, we detect a secondary period of about 210 days using the historical light curves corrected for the long-term variations. We briefly discuss the possible origin of this period.
The weak circular repetition threshold over large alphabets
Authors: Mol Lucas , Rampersad Narad
Published: November 2020

The repetition threshold for words on n letters, denoted RT(n), is the infimum of the set of all r such that there are arbitrarily long r-free words over n letters. A repetition threshold for circular words on n letters can be defined in three natural ways, which gives rise to the weak, intermediate, and strong circular repetition thresholds for n letters, denoted CRTW(n), CRTI(n), and CRTS(n), respectively. Currie and the present authors conjectured that CRTI(n) = CRTW(n) = RT(n) for all n ≥ 4. We prove that CRTW(n) = RT(n) for all n ≥ 45, which confirms a weak version of this conjecture for all but finitely many values of n.
EUS is superior to secretin-enhanced cholangio-MRI to establish the etiology of idiopathic acute pancreatitis
Authors: Vila Juan J. , Mendioroz F. Javier Jiménez , Yeaton Paul , Fernández-Urién Iñaki , Sanchotena José Luis García , Goñi Silvia , Alonso Marta Gómez , Carrascosa Juan , Borda Ana , Prieto Carlos , Urman Jesús , Zozaya José M
Published: November 2020

Background and study aims The etiology of idiopathic acute pancreatitis (IAP) should always be defined. Our aim was to compare the diagnostic value of endoscopic ultrasound (EUS) versus secretin-enhanced magnetic resonance cholangiopancreatography (S-MRCP) in patients with IAP.

Patients and Methods Patients admitted to a single tertiary care University hospital with IAP were invited to participate in the study. Enrolled patients underwent EUS and S-MRCP in a single-blinded comparative study. EUS and S-MRCP were performed no sooner than 4 weeks after discharge. The diagnostic yield of EUS and S-MRCP and demographic variables were included in the analysis. Additional follow-up, results of subsequent serology, radiographic exams, and relevant histological analysis were considered in determination of the final diagnosis.

Results A total of 34 patients were enrolled; EUS was normal in six, cholelithiasis was defined in 15, choledocholithiasis in two, pancreas divisum in three, branch-type intraductal papillary mucinous tumor (IPMT) in three, and chronic pancreatitis in five. S-MRCP identified choledocholithiasis in one, divisum in four, branch-type IPMT in three, chronic pancreatitis in two; 24 subjects diagnosed as normal by S-MRCP. Diagnostic correlation between EUS and S-MRCP was slight (kappa = 0.236, 95 % confidence interval: 0.055–0.416). EUS provided a statistically significantly higher diagnostic yield than S-MRCP: 79.4 % (CI95 %: 65 %–94 %) vs 29.4 % (CI95 %: 13 %–46 %) (P = 0.0002). The sensitivity, specificity, and positive and negative predictive values of EUS and S-MRCP were 90 %, 80 %, 96 %, 57 % and 33 %, 100 %, 100 % and 16 %, respectively.

Conclusion The diagnostic yield of EUS is higher than S-MRCP in patients with IAP.
COVID-19-Pandemie trifft auf Psyche der Bevölkerung: Gibt es einen Tsunami psychischer Störungen?
Authors: Riedel-Heller Steffi , Richter Dirk
Published: November 2020

Der Beitrag diskutiert kurz- und längerfristige psychische Folgen der COVID-19-Pandemie in der Allgemeinbevölkerung. Die Dynamik der psychischen Reaktionen mit Ängstlichkeit, Depressivität und Belastungserleben scheint im Verlauf unmittelbar die infektionsepidemiologische Dynamik und damit das Ausbruchsgeschehen zu spiegeln. Obgleich alte Menschen eher schwere COVID-Verläufe haben, sind die psychischen Reaktionen besonders bei Jugendlichen ausgeprägt und weniger bei alten Menschen. Diese kurzfristigen Folgen sind eher als Reaktion auf diese Belastung zu sehen und weniger als psychische Störungen im engeren Sinne. Da die Zusammenhänge zwischen Wirtschaftskrisen und häufigerem Auftreten psychischer Störungen lange bekannt sind, ist von einer rezessionsbedingten Zunahme psychischer Störungen auszugehen. Die psychische Gesundheit muss ein zentrales Element im Pandemiemanagement sein.