bluuebunny/crossref_metadata_2025 huggingface dataset:
Physico-chemical properties and toxicological effects on plant and algal models of carbon nanosheets from a nettle fibre clone
Authors: Shah Syed Shaheen , Qasem Mohammed Ameen Ahmed , Berni Roberto , Del Casino Cecilia , Cai Giampiero , Contal Servane , Ahmad Irshad , Siddiqui Khawar Sohail , Gatti Edoardo , Predieri Stefano , Hausman Jean-Francois , Cambier Sébastien , Guerriero Gea , Aziz Md.Abdul
Published: March 2021

Carbon nanosheets are two-dimensional nanostructured materials that have applications as energy storage devices, electrochemical sensors, sample supports, filtration membranes, thanks to their high porosity and surface area. Here, for the first time, carbon nanosheets have been prepared from the stems and leaves of a nettle fibre clone, by using a cheap and straight-forward procedure that can be easily scaled up. The nanomaterial shows interesting physical parameters, namely interconnectivity of pores, graphitization, surface area and pore width. These characteristics are similar to those described for the nanomaterials obtained from other fibre crops. However, the advantage of nettle over other plants is its fast growth and easy propagation of homogeneous material using stem cuttings. This last aspect guarantees homogeneity of the starting raw material, a feature that is sought-after to get a nanomaterial with homogeneous and reproducible properties. To evaluate the potential toxic effects if released in the environment, an assessment of the impact on plant reproduction performance and microalgal growth has been carried out by using tobacco pollen cells and the green microalgaPseudokirchneriella subcapitata. No inhibitory effects on pollen germination are recorded, while algal growth inhibition is observed at higher concentrations of leaf carbon nanosheets with lower graphitization degree.
Preliminary functional analysis of the subgingival microbiota of cats with periodontitis and feline chronic gingivostomatitis
Authors: Rodrigues Marjory Xavier , Fiani Nadine , Bicalho Rodrigo Carvalho , Peralta Santiago
Published: March 2021

The subgingival microbial communities of domestic cats remain incompletely characterized and it is unknown whether their functional profiles are associated with disease. In this study, we used a shotgun metagenomic approach to explore the functional potential of subgingival microbial communities in client-owned cats, comparing findings between periodontally healthy cats and cats with naturally occurring chronic periodontitis, aggressive periodontitis, and feline chronic gingivostomatitis. Subgingival samples were subjected to shotgun sequencing and the metagenomic datasets were analyzed using the MG-RAST metagenomic analysis server and STAMP v2.1.3 (Statistical Analysis of Metagenomic Profiles) software. The microbial composition was also described to better understand the predicted features of the communities. The Respiration category in the level 1 Subsystems database varied significantly among groups. In this category, the abundance of V-Type ATP-synthase and Biogenesis of cytochrome c oxidases were significantly enriched in the diseased and in the healthy groups, respectively. Both features have been previously described in periodontal studies in people and are in consonance with the microbial composition of feline subgingival sites. In addition, the narH (nitrate reductase) gene frequency, identified using the KEGG Orthology database, was significantly increased in the healthy group. The results of this study provide preliminary functional insights of the microbial communities associated with periodontitis in domestic cats and suggest that the ATP-synthase and nitrate-nitrite-NO pathways may represent appropriate targets for the treatment of this common disease.
Author Correction: Both higher fitness level and higher current physical activity level may be required for intramyocellular lipid accumulation in non-athlete men
Authors: Yamasaki Nozomu , Tamura Yoshifumi , Takeno Kageumi , Kakehi Saori , Someya Yuki , Funayama Takashi , Furukawa Yasuhiko , Kaga Hideyoshi , Suzuki Ruriko , Sugimoto Daisuke , Kadowaki Satoshi , Sato Motonori , Nakagata Takashi , Nishitani-Yokoyama Miho , Shimada Kazunori , Daida Hiroyuki , Aoki Shigeki , Satoh Hiroaki , Kawamori Ryuzo , Watada Hirotaka
Published: March 2021

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Estimation of hygroscopic growth properties of source-related sub-micrometre particle types in a mixed urban aerosol
Authors: Vu Tuan V. , Shi Zongbo , Harrison Roy M.
Published: March 2021

Knowledge of hygroscopic properties is essential to prediction of the role of aerosol in cloud formation and lung deposition. Our objective was to introduce a new approach to classify and predict the hygroscopic growth factors (Gfs) of specific atmospheric sub-micrometre particle types in a mixed aerosol based on measurements of the ensemble hygroscopic growth factors and particle number size distribution (PNSD). Based on a non-linear regression model between aerosol source contributions from PMF applied to the PNSD data set and the measured Gf values (at 90% relative humidity) of ambient aerosols, the estimated mean Gf values for secondary inorganic, mixed secondary, nucleation, urban background, fresh, and aged traffic-generated particle classes at a diameter of 110 nm were found to be 1.51, 1.34, 1.12, 1.33, 1.09 and 1.10, respectively. It is found possible to impute (fill) missing HTDMA data sets using a Random Forest regression on PNSD and meteorological conditions.
Carrier photodynamics in 2D perovskites with solution-processed silver and graphene contacts for bendable optoelectronics
Authors: Hossain Ridwan F. , Min Misook , Ma Liang-Chieh , Sakri Shambhavi R. , Kaul Anupama B.
Published: March 2021

Silver (Ag) and graphene (Gr) inks have been engineered to serve as efficient electrical contacts for solution-processed two-dimensional (2D) organo-halide (CH3(CH2)3NH3)2(CH3NH3)n−1PbnI3n+1 (n = 4) layered perovskites, where all inkjet-printed heterostructure photodetectors (PDs) were fabricated on polyimide (PI) substrates. To date, limited studies exist that compare multiple contacts to enable high-performance engineered contacts to 2D perovskites. Moreover, of these few reports, such studies have examined contacts deposited using vapor-based techniques that are time-consuming and require expensive, specialized deposition equipment. In this work, we report on the inkjet printed, direct contact study of solution-processed, 2D perovskite-based PDs formed on flexible PI substrates. Solution processing offers a cost-effective, expedient route for inkjet printing Gr and Ag using a dispersion chemistry developed in this work that is compatible with the underlying 2D perovskite layer to construct the PDs. The wavelength λ-dependent photocurrent Ip peaked at λ ~ 630 nm for both PDs, consistent with the bandgap Eg ~ 1.96 eV for our semiconducting 2D perovskite absorber layer. The external quantum efficiency was determined to be 103% for Ag-perovskite PDs, where strain-dependent bending tests were also conducted to reveal the opto-mechanical modulation of the photocurrent in our devices.
Distribution of microRNA profiles in pre-clinical and clinical forms of murine and human prion disease
Authors: Cheng Lesley , Quek Camelia , Li Xia , Bellingham Shayne A. , Ellett Laura J. , Shambrook Mitch , Zafar Saima , Zerr Inga , Lawson Victoria A. , Hill Andrew F.
Published: March 2021

Prion diseases are distinguished by long pre-clinical incubation periods during which prions actively propagate in the brain and cause neurodegeneration. In the pre-clinical stage, we hypothesize that upon prion infection, transcriptional changes occur that can lead to early neurodegeneration. A longitudinal analysis of miRNAs in pre-clinical and clinical forms of murine prion disease demonstrated dynamic expression changes during disease progression in the affected thalamus region and serum. Serum samples at each timepoint were collected whereby extracellular vesicles (EVs) were isolated and used to identify blood-based biomarkers reflective of pathology in the brain. Differentially expressed EV miRNAs were validated in human clinical samples from patients with human sporadic Creutzfeldt-Jakob disease (sCJD), with the molecular subtype at codon 129 either methionine-methionine (MM, n = 14) or valine-valine (VV, n = 12) compared to controls (n = 20). EV miRNA biomarkers associated with prion infection predicted sCJD with an AUC of 0.800 (85% sensitivity and 66.7% specificity) in a second independent validation cohort (n = 26) of sCJD and control patients with MM or VV subtype. This study discovered clinically relevant miRNAs that benefit diagnostic development to detect prion-related diseases and therapeutic development to inhibit prion infectivity.
Efficacy and long-term safety of CRISPR/Cas9 genome editing in the SOD1-linked mouse models of ALS
Authors: Deng Han-Xiang , Zhai Hong , Shi Yong , Liu Guoxiang , Lowry Jessica , Liu Bin , Ryan Éanna B. , Yan Jianhua , Yang Yi , Zhang Nigel , Yang Zhihua , Liu Erdong , Ma Yongchao C. , Siddique Teepu
Published: March 2021

CRISPR/Cas9-mediated genome editing provides potential for therapeutic development. Efficacy and long-term safety represent major concerns that remain to be adequately addressed in preclinical studies. Here we show that CRISPR/Cas9-mediated genome editing in two distinct SOD1-amyotrophic lateral sclerosis (ALS) transgenic mouse models prevented the development of ALS-like disease and pathology. The disease-linked transgene was effectively edited, with rare off-target editing events. We observed frequent large DNA deletions, ranging from a few hundred to several thousand base pairs. We determined that these large deletions were mediated by proximate identical sequences in Alu elements. No evidence of other diseases was observed beyond 2 years of age in these genome edited mice. Our data provide preclinical evidence of the efficacy and long-term safety of the CRISPR/Cas9 therapeutic approach. Moreover, the molecular mechanism of proximate identical sequences-mediated recombination provides mechanistic information to optimize therapeutic targeting design, and to avoid or minimize unintended and potentially deleterious recombination events.
A cascade double 1,4-addition/intramolecular annulation strategy for expeditious assembly of unsymmetrical dibenzofurans
Authors: He Xinwei , Li Ruxue , Choy Pui Ying , Xie Mengqing , Duan Jiahui , Tang Qiang , Shang Yongjia , Kwong Fuk Yee
Published: March 2021

Existing synthetic routes for accessing dibenzofuran core have intrinsic regioselectivity, limiting the substitution patterns available in heteropolycyclic arene products. Here we report a double 1,4-conjugate addition/intramolecular annulation cascade reaction between propargylamines and two equivalents of imidazolium methylides that allows efficient access of structurally versatile dibenzofurans. This transition metal-free protocol proceeds smoothly under bench-top air atmosphere and offers easy manipulation of substituents on the dibenzofuran core, and also provides good-to-excellent product yields with good functional group tolerance, particularly the –Br and –Cl groups which are often incompatible with existing metal-catalyzed C–C and/or C–O bond ring-forming processes. It is worth noting that ladder-type π-systems with all-arene quarternary carbon structure can be straightforwardly generated upon simple late-stage functionalization.
A gateway for ion transport on gas bubbles pinned onto solids
Authors: Haziri Veton , Nha Tu Pham Tran , Berisha Avni , Boily Jean-François
Published: March 2021

Gas bubbles grown on solids are more than simple vehicles for gas transport. They are charged particles with surfaces populated with exchangeable ions. We here unveil a gateway for alkali metal ion transport between oxygen bubbles and semi-conducting (iron oxide) and conducting (gold) surfaces. This gateway was identified by electrochemical impedance spectroscopy using an ultramicroelectrode in direct contact with bubbles pinned onto these solid surfaces. We show that this gateway is naturally present at open circuit potentials, and that negative electric potentials applied through the solid enhance ion transport. In contrast, positive potentials or contact with an insulator (polytetrafluoroethylene) attenuates transport. We propose that this gateway is generated by overlapping electric double layers of bubbles and surfaces of contrasting (electro)chemical potentials. Knowledge of this ion transfer phenomenon is essential for understanding electric shielding and reaction overpotential caused by bubbles on catalysts. This has especially important ramifications for predicting processes including mineral flotation, microfluidics, pore water geochemistry, and fuel cell technology.
Light-wave control of correlated materials using quantum magnetism during time-periodic modulation of coherent transport
Authors: Lingos Panagiotis C. , Kapetanakis Myron D. , Wang Jigang , Perakis Ilias E.
Published: March 2021

Light–wave quantum electronics utilizes the oscillating carrier wave to control electronic properties with intense laser pulses. Without direct light–spin interactions, however, magnetic properties can only be indirectly affected by the light electric field, mostly at later times. A grand challenge is how to establish a universal principle for quantum control of charge and spin fluctuations, which can allow for faster-than-THz clock rates. Using quantum kinetic equations for the density matrix describing non–equilibrium states of Hubbard quasiparticles, here we show that time–periodic modulation of electronic hopping during few cycles of carrier–wave oscillations can dynamically steer an antiferromagnetic insulating state into a metalic state with transient magnetization. While nonlinearities associated with quasi-stationary Floquet states have been achieved before, magneto–electronics based on quasiparticle acceleration by time–periodic multi–cycle fields and quantum femtosecond/attosecond magnetism via strongly–coupled charge–spin quantum excitations represents an alternative way of controlling magnetic moments in sync with quantum transport.
The structural manipulation of a series of Ni4 defective dicubanes: Synthesis, X-ray Structures, Magnetic and Computational analyses
Authors: Woodhouse Sidney S. , Dais Tyson N. , Payne Emily H. , Singh Mukesh K. , Brechin Euan K. , Plieger Paul G.
Published: March 2021

Structural, magnetic, and computational analysis of a series of Ni4 defective dicubanes is described.
Chemical characterization of Wuyi rock tea with different roasting degrees and their discrimination based on volatile profiles
Authors: Liu Xiaobo , Liu Yawen , Li Pan , Yang Jiangfan , Wang Fang , Kim Eunhye , Wu Yuanyuan , He Puming , Li Bo , Tu Youying
Published: March 2021

Wuyi rock tea is a typical and famous oolong tea in China and roasting is an important manufacturing procedure for its flavor formation.
Biological effects of tourmaline treatment on Dehalococcoides spp. during the reductive dechlorination of trichloroethylene
Authors: Li Tielong , Wen Jiaxin , Li Bingjie , Ding Shihu , Wang Wei
Published: March 2021

To explore the application of mineral in bioremediation of contaminated aquifers, this study investigated tourmaline-induced changes in TCE degradation, community structure, cell proliferation and gene expression of dechlorinating bacteria.
Installing CRISPR–Cas12a sensors in a portable glucose meter for point-of-care detection of analytes
Authors: Liu Ran , He Ying , Lan Tian , Zhang Jingjing
Published: March 2021

A simple target-responsive CRISPR/Cas12a-based strategy for translating molecular detection into a glucose test.
Investigating the effect of 6-mercaptohexanol on the performance of a biosensor based on nanosurface energy transfer between gold nanoparticles and quantum dots
Authors: Lai Qizhen , Liu Yucheng , Ge Lan , Yang Yeling , Ji Xinghu , He Zhike
Published: March 2021

The MCH treatment of DNA-AuNPs allowed the free DNA-QDs to be more distant from the surface of DNA-AuNPs, weakening their NSET quenching effect on free DNA-QDs in the presence of a target, which endows MCH/DNA-Au-QDs with a higher signal to background ratio.
The crystal growth and properties of novel magnetic double molybdate RbFe5(MoO4)7with mixed Fe3+/Fe2+states and 1D negative thermal expansion
Authors: Chimitova O. D. , Bazarov B. G. , Bazarova J. G. , Atuchin V. V. , Azmi R. , Sarapulova A. E. , Mikhailova D. , Balachandran G. , Fiedler A. , Geckle U. , Prots Yu. , Komarek A. C. , Gavrilova T. A. , Prosvirin I. P. , Yang Yi , Lin Zheshuai , Knapp M. , Ehrenberg H.
Published: March 2021

Single crystals of new composition RbFe5(MoO4)7were successfully grown by the flux method, and their crystal structure was determined using the X-ray single-crystal diffraction technique.
Enhanced photocatalytic CO2 reduction by constructing an In2O3–CuO heterojunction with CuO as a cocatalyst
Authors: Chen Ke , Zhao Xin , Zhang Xiao-Jing , Zhang Weng-Sheng , Wu Zhi-Fang , Wang Hao-Yu , Han Dong-Xue , Niu Li
Published: March 2021

Under the excitation of light on the photocatalyst, artificial photosynthesis can effectively realize the conversion of CO2 into chemical raw materials or fuels.
Heterobimetallic complexes composed of bismuth and lithium carboxylates as polyurethane catalysts – alternatives to organotin compounds
Authors: Levent Emre , Sala Oliver , Wilm Lukas F. B. , Löwe Pawel , Dielmann Fabian
Published: March 2021

The bismuth-catalyzed urethane reaction is significantly accelerated by generating heterobimetallic mixtures of bismuth and lithium carboxylates.
Tetraphenylethylene AIEgen bearing thiophenylbipyridine receptor for selective detection of copper(ii) ion
Authors: Nadimetla Dinesh N. , Bhosale Sheshanath V.
Published: March 2021

A new tetraphenylethylene (TPE) AIEgen appended with a thiophenylbipyridine moiety exhibits sensitivity and selectivity towards copper ionsviaa PET “turn on–turn off” mechanism.
Nitrosyl linkage photoisomerization in heteroleptic fluoride ruthenium complexes derived from labile nitrate precursors
Authors: Mikhailov Artem A. , Komarov Vladislav Yu. , Pishchur Denis P. , Schaniel Dominik , Kostin Gennadiy A.
Published: March 2021

Four complexes with trans-ON–Ru–F coordinate were synthesized from their nitrate precursors. Upon light irradiation, complexes I–III show reversible formation of highly stable linkage isomers MS2 which leads to a higher photogeneration temperature of MS1.
Asymmetric angular dependence for multicolor display based on plasmonic inclined-nanopillar array
Authors: Wang Xinyu , Dai Chenjie , Yao Xiaoli , Qiao Tong , Chen Mingliang , Li Shifeng , Shi Zhen , Wang Miao , Huang Zengli , Hu Xin , Li Zhongyang , Zhang Jian , Zhang Xuefeng
Published: March 2021

Asymmetric multicolor displays have unique and fascinating applications in the field of artificial color engineering.
A divergent chiron approach for the first total synthesis of (+)-pseudonocardide A, (+)-pseudonocardide C and an epimer of ent-pseudonocardide D
Authors: Sharma Kapil , Surineni Naresh , Das Sayani , Gholap Shivajirao L.
Published: March 2021

An expeditious first total synthesis of (+)-pseudonocardide A, (+)-pseudonocardide C and an epimer of ent-pseudonocardide D was accomplished from a common intermediate readily prepared from d-ribose in a high overall yield.
Synthesis and characterization of mono S-lipidated peptide hydrogels: a platform for the preparation of reactive oxygen species responsive materials
Authors: Rani Aakanksha , De Leon-Rodriguez Luis M. , Kavianinia Iman , McGillivray Duncan J. , Williams David E. , Brimble Margaret A.
Published: March 2021

In this work, the synthesis of reactive oxygen species responsive mono S-lipidated peptide hydrogels via a photoinitiated thiol–ene reaction is reported.
Access to the C2 C–H olefination, alkylation and deuteration of indoles by rhodium(iii) catalysis: an opportunity for diverse syntheses
Authors: Wu Jiaping , Qian Baiyang , Lu Lili , Yang Haitao , Shang Yongjia , Zhang Jitan
Published: March 2021

A concise approach for a diversity-oriented synthesis via regioselective C2 C–H olefination, alkylation, and deuteration of indoles by Rh(iii) catalysis is described.
Oxidative cross-dehydrogenative coupling between iodoarenes and acylanilides for C–N bond formation under metal-free conditions
Authors: Yang Peng , Wang Xia , Wang Liang , He Jiahua , Zhang Qian , Li Dong
Published: March 2021

A metal-free oxidative cross-dehydrogenative coupling between iodoarenes and acylanilides was developed. It gave highly para-selectivie C–N coupling products with the retention of iodine atom which enables further transformations.
Dinuclear helicate or mononuclear pincer lanthanide complexes from one ligand: stereo-controlled assembly and catalysis
Authors: Chen Ran , Yan Qian-Qian , Hu Shao-Jun , Guo Xiao-Qing , Cai Li-Xuan , Yan Dan-Ni , Zhou Li-Peng , Sun Qing-Fu
Published: March 2021

By varying the metal/ligand ratio, either dinuclear triple helicate or mononuclear pincer can be stereo-selectively obtained from the same chiral ligand. Their catalytic properties have been demonstrated with the asymmetric FC alkylation reactions.
Calculation of absolute molecular entropies and heat capacities made simple
Authors: Pracht Philipp , Grimme Stefan
Published: March 2021

A novel scheme for the automated calculation of the conformational entropy together with a modified thermostatistical treatment provides entropies with unprecedented accuracy even for large, complicated molecules.
Donor–acceptor–acceptor-type near-infrared fluorophores that contain dithienophosphole oxide and boryl groups: effect of the boryl group on the nonradiative decay
Authors: Sugihara Yoshiaki , Inai Naoto , Taki Masayasu , Baumgartner Thomas , Kawakami Ryosuke , Saitou Takashi , Imamura Takeshi , Yanai Takeshi , Yamaguchi Shigehiro
Published: March 2021

Combination of electron-accepting diarylboryl terminal groups and dithienophosphole oxide spacers with electron-donating triarylamine moieties produces donor–acceptor–acceptor type π-systems, which exhibit emissions in the near-infrared region.
Collapse-induced phase transitions in binary interfacial microgel monolayers
Authors: Harrer Johannes , Ciarella Simone , Rey Marcel , Löwen Hartmut , Janssen Liesbeth M. C. , Vogel Nicolas
Published: March 2021

Microgels, consisting of a swollen polymer network, exhibit a more complex self-assembly behavior compared to incompressible colloidal particles, because of their ability to deform at a liquid interface or collapse upon compression.
Prediction of prognosis of patients with lung cancer in combination with the immune score
Authors: Han Ke , Qian Kun , Zhao Teng , Liu Xing Sheng , Zhang Yi
Published: March 2021

Purpose: The host’s immune response to malignant tumor is fundamental to tumorigenesis and tumor development. The immune score is currently used to assess prognosis and to guide immunotherapy; however, its association with lung cancer prognosis is not clear.

Methods: Clinical features and immune score data of lung cancer patients from The Cancer Genome Atlas were obtained to build a clinical prognosis nomogram. The model’s accuracy was verified by calibration curves.

Results: In total, 1005 patients with lung cancer were included. Patients were divided into three groups according to low, medium, and high immune scores. Compared with patients in the low immune score group, the disease-free survival (DFS) of patients in medium and high immune score groups was significantly longer; the hazard ratio (HR) and 95% confidence interval (95% CI) were 0.77 [0.60–0.99] and 0.74 [0.60–0.91], respectively. The overall survival (OS) of patients in the medium and high immune score groups was significantly longer than in the low immune score group; the HR and 95% CI were 0.74 [0.57–0.96] and 0.69 [0.55–0.88], respectively. A clinical prediction model was established to predict the survival prognosis. As verified by calibration curves, the model showed good predictive ability, especially for predicting 3-/5-year DFS and OS.

Conclusion: Patients with lung cancer with medium and high immune scores had longer DFS and OS than those in low immune score group. Patient prognosis can be effectively predicted by the clinical prediction model combining clinical features and immune score and was consistent with actual clinical outcomes.
Improved framework of many‐objective evolutionary algorithm to handle cloud detection problem in satellite imagery
Authors: Gupta Rachana , Nanda Satyasai Jagannath
Published: March 2021

Automatic cloud detection algorithm based on supervised learning approach has emerged due to its effectiveness in extracting weather information in satellite images. However, algorithm requires field‐expert intervention with huge database of training samples to evaluate its clustering performance. Moreover, lacking in availability of labelled data makes difficult to train the input samples. Therefore, this article puts forward unsupervised many‐objective evolutionary clustering technique to discriminate cloudy regions on varying characteristic of underlying surfaces. The study begins with the modification in search capability of ‐NSGA‐III optimisation algorithm by incorporating penalised vector angle concept in associate operator. The analysis of proposed approach has been carried out on benchmark many‐objective DTLZ test problems, compared against original ‐NSGA‐III and NSGA‐III algorithms. The proposed modified ‐NSGA‐III has been further utilised as clustering technique to solve unsupervised cloud detection problem. Optimal centroid vector for clustering using proposed approach is obtained through modified crossover operator, mutation operator and environmental selection method. Experimental results reveal that proposed approach outperforms comparative many‐objective algorithms, MOEA/D and NSGA‐III for Landsat 8, MODIS and NOAA satellite images with lower classification average error of % in cloud detection for most of the evaluated test cases.
Improved large-scale interstellar dust foreground model and CMB solar dipole measurement
Authors: Delouis J.-M. , Puget J.-L. , Vibert L.
Published: March 2021

The cosmic microwave background (CMB) anisotropies are difficult to measure at large angular scales. In this paper, we present a new analysis of the Planck High Frequency Instrument data that brings the cosmological part and its major foreground signal close to the detector noise. The solar dipole signal induced by the motion of the Solar System with respect to the CMB is a very efficient tool for calibrating a detector or cross-calibrating sets of detectors with high accuracy. In this work, the solar dipole signal is used to extract corrections of the frequency map offsets, reducing uncertainties significantly. The solar dipole parameters are refined together with the improvement of the high-frequency foregrounds and the CMB large-scale cosmological anisotropies. The stability of the solar dipole parameters is a powerful way to control Galactic foreground removal in the component separation process. We use this stability to build a model of the spatial variations in spectral energy distribution of the interstellar dust emission. Knowledge of these variations will help future CMB analyses of intensity and polarization used to measure faint signals related to the optical reionization depth and the tensor-to-scalar ratio of the primordial anisotropies. The results of this work are: improved solar dipole parameters, a new interstellar dust model, and a large-scale intensity map of cosmological anisotropies.
Daumen hoch – PANat-Daumenschiene bei Hemiparese
Authors: Wälder Franziska
Published: March 2021

Franziska Wälder ging der Frage nach, wie es gelingen kann, dass Patienten nach Schlaganfall trotz einer schweren Armparese ihre Hand vermehrt im Alltag einsetzen können. Sie entwickelte eine Daumenschiene zur Extension und erzielte in Kombination mit einem intensiven sensomotorischen Fingertraining gute Erfolge.
Die Prothese zum Begleiter machen – Amputationen Teil 3: Gangschulung und Vorbereitung auf den Alltag
Authors: Brandt Hanna
Published: March 2021

Patienten nach einer Amputation am Bein zu behandeln ist nicht für jeden Therapeuten Alltag. Unsere dreiteilige Serie frischt Ihr Wissen über Theorie und Nachversorgung auf. Teil 3 befasst sich mit dem Gehen mit Prothese, der richtigen Technik, für die Krankenkassen relevante Assessments und dem Verständnis für die Prothese.
Eine Gratwanderung – Handtherapie in der forensischen Psychiatrie
Authors: Reinhold Ina
Published: March 2021

Psychisch erkrankte Straftäter kommen meist in den Maßregelvollzug. Dort bleiben sie durchschnittlich neun Jahre. Eine lange Zeit, in der nicht nur psychosoziale Interventionen zum Einsatz kommen, sondern auch motorisch-funktionelle Behandlungen gefragt sind. Eine Handtherapeutin berichtet.
Photoredox-Mediated Asymmetric Cross-Dehydrogenative Coupling of Enones and Tertiary Amines by Chiral Primary Amine Catalysis
Authors: Luo Sanzhong , Jia Zongbin , Yang Qi
Published: March 2021

A catalytic asymmetric dehydrogenative cross-coupling reaction between enones and tertiary amines enabled by synergistic photoredox and chiral primary amine catalysis is reported. The reaction was proposed to proceed via the interception of iminium ion intermediate, in situ generated from photoredox oxidation, by dienamine at α-position, followed by isomerization, leading to aza-Morita–Baylis–Hillman-type products with good diastereo- and enantioselectivity.
In the Pursuit of (Ald)Imine Surrogates for the Direct Asymmetric Synthesis of Non-Proteinogenic α-Amino Acids
Authors: Roche Stéphane P.
Published: March 2021

Nature remarkably employs posttranslational modifications of the 20 canonical α-amino acids to devise a far larger structural, conformational, and functional diversity found in non-proteinogenic amino acids (NPAAs), which ultimately translates into a plethora of complex biological functions. Synthetic chemists are continuously trying to reproduce and even extrapolate the repertoire of NPAA building blocks to build structural diversity into bioactive molecules and materials. The direct asymmetric functionalization of α-imino esters represents one of the most robust and attractive routes to NPAAs. This review summarizes the most prominent examples of bench-stable (ald)imine surrogates exploited for the synthesis of NPAAs, including our most recent results in the nucleophilic substitution of α-haloglycines and other α-halo­aminals. A synopsis of kinetic studies, reaction optimizations, and enantio­selective catalytic methods is also presented.

1 Introduction

2 Asymmetric Synthesis of Tertiary α-Substituted NPAAs

2.1 From N,O-Acetals (α-Hydroxy/Alkyloxy/Acetoxyglycines)

2.2 From α-Amido Sulfones

2.3 From α-Haloglycine Esters

2.4 From N,O-Bis(Boc) Hydroxyglycine

3 Asymmetric Synthesis of Acyclic Quaternary α,α-Disubstituted NPAAs

4 Concluding Remarks
A Convenient Protecting Group for Uridine Ureido Nitrogen: (4,4′-Bisfluorophenyl)methoxymethyl Group
Authors: Kurosu Michio , Mitachi Katsuhiko , Mingle David
Published: March 2021

(4,4′-Bisfluorophenyl)methoxymethyl (BFPM) group of uridine ureido nitrogen shows good relative stability in a variety of chemical transformation reactions for uridine. The BFPM group can be cleaved by 2% of TFA in CH2Cl2 without affecting the Boc group.
Cobalt-Catalyzed Isomerization of Alkenes
Authors: Findlater Michael , Zhang Sheng
Published: March 2021

Catalytic isomerization of alkenes is a highly atom-economical approach to upgrade from lower- to higher-value alkenes. Consequently, tremendous attention has been devoted to the development of this transformation, approaches which exploit cobalt catalysis are particularly attractive. This short review focuses on the cobalt-catalyzed alkene isomerization, including positional isomerization, geometric isomerization, and cycloisomerization. Three main types of reaction mechanism have been discussed to help the reader to better understand and make meaningful comparison between the different transformations.

1 Introduction

2 Positional Isomerization

3 Geometric Isomerization

4 Cycloisomerization

5 Conclusion and Outlook
Fratura exposta do colo do fêmur em adulto: Relato de caso e solução cirúrgica
Authors: Campos Roni Serra , Correia Marcos Alves , Menezes Ricardo , Duarte Maria Eugenia Leite , Guimarães João Antonio Matheus
Published: March 2021

A fratura intracapsular do fêmur proximal é uma lesão frequente no paciente idoso, e em geral está associada a trauma de baixa energia e redução da massa óssea. No jovem, esta lesão é pouco frequente, decorre de trauma de alta energia, e resulta em dano das partes moles adjacentes. Contudo, o relato de fratura intracapsular do fêmur proximal com exposição óssea por trauma indireto é raro na literatura ortopédica. Neste relato, esta lesão foi diagnosticada em um homem de 35 anos, vítima de acidente automobilístico. Mediante um mecanismo semelhante ao da luxação posterior do quadril, o segmento proximal do fêmur determinou exposição óssea através da região glútea. Foram descritos o tratamento inicial e os tratamentos subsequentes até a solução definitiva por artroplastia total do quadril associada a transposição muscular para reconstrução do mecanismo abdutor do quadril. Após 10 meses de seguimento, o paciente apresentava boa recuperação funcional, com retorno gradual da força abdutora, Harris Hip Score de 91 pontos, com estudo radiográfico revelando prótese total cimentada bem posicionada. A estratégia terapêutica utilizada neste paciente (artroplastia total do quadril com transferência muscular para a reconstrução da musculatura abdutora) foi uma solução eficiente para tratar a fratura intracapsular do fêmur proximal com exposição óssea.
Spontaneous Perinephric Urinoma Secondary to Drug Induced Acute Interstitial Nephritis: A Case Report
Authors: Varatharajaperumal Rajesh Kumar , Renganathan Rupa , Mangalakumar V , Rajasekaran Sriman , Arunachalam Venkatesh Kasi
Published: March 2021

Urinoma is defined as the extravasation of urine from any part of the urinary collecting system, which causes lipolysis of the surrounding fat, resulting in an encapsulated collection. The most common cause of urinoma is the direct obstruction of the urinary system. The other etiologies include trauma and postinstrumentation/surgery. Parenchymal cause for spontaneous urinoma is exceedingly rare. We present a case of a 30-year-old gentleman who presented with lower abdominal pain and was treated with a Diclofenac injection. The pain got better temporarily, but he presented again with right loin pain after 3 days. His computed tomography scan images revealed bilateral perinephric urinoma. As there was significant deterioration of renal function, he underwent a renal biopsy. The histopathology was reported as acute interstitial nephritis (AIN). Drug-induced AIN is very rarely presented with acute loin or abdominal pain due to spontaneous perinephric urinoma, as it was seen in our case.
Follow-Up Rates at a Free Ophthalmology Clinic at a Homeless Shelter
Authors: Hennein Lauren , Spaulding Kimberly A. , Karlegan Veronika , Nnamani Silva Ogonna N. , de Alba Campomanes Alejandra G.
Published: March 2021

Objective Eye health among the homeless community is important, as poor vision makes this population vulnerable and adds significantly to the social and health burden. There is limited knowledge on patient follow-up rates for their eye conditions and barriers to accessing care in this population. The purpose of this retrospective chart review study is to examine follow-up rates and barriers to care for patients referred from a free, medical-student run ophthalmology clinic at a homeless shelter.

Methods All patients evaluated at a free ophthalmology clinic from September 2017 to September 2018 were included; no patients were excluded. If indicated, patients were referred for advanced ophthalmologic care at a local county hospital and free eyeglasses at a nonprofit organization. Primary outcomes were follow-up rates at the county hospital and nonprofit organization. Secondary outcomes included prespecified baseline variables hypothesized to be associated with follow-up rates. These categorical variables were compared with Chi-square testing to determine their association with follow-up rates. The hypothesis being tested was formulated before data collection.

Results Of the 68 patients, 84% were males with a mean age of 50 years. Overall, 40 patients were referred for free eyeglasses and 17 to the county hospital. Of those referred, 14 patients presented for free eyeglasses and 7 presented to the county hospital. About 79% of patients with a pre-established primary care provider presented to their appointment compared with 20% of those without one (p = 0.03). The 44% of patients with a high school diploma presented while all patients without a high school diploma failed to present (p = 0.04). Vision-threatening conditions identified at the shelter clinic did not affect follow-up rates (p = 0.79).

Conclusion Less than half of referred patients in our study presented to their appointments. Barriers to presentation included no primary care provider and lower educational status, with no improvement in follow-up rates among those referred for vision-threatening conditions. Interventions such as health coaching with particular attention to educating patients on the effects of vision-threatening conditions may be warranted, particularly for those not looped into the health care system and those of lower educational attainment.
Green or social? An analysis of environmental and social sustainability advertising and its impact on brand personality, credibility and attitude
Authors: Sander Frauke , Föhl Ulrich , Walter Nadine , Demmer Vera
Published: March 2021

The aim of this paper is to examine the impact of sustainability advertising on brand personality, credibility, attitude toward the ad and brand attitude; special attention was given to whether or not environmental and social sustainability advertising have different effects. The results of an online survey revealed that environmental sustainability advertising has a stronger influence than social sustainability advertising. Thus, the findings suggest that a focus on environmental aspects delivers the more impactful advertising content when promoting a brand’s sustainability. This result is consistent with the existing studies on the sub-dimensions of sustainability; although only researched in different contexts, earlier findings also showed that environmental sustainability has a higher impact. Furthermore, an explicit integration of environmental aspects into the measurement of brand personalities offers a new and interesting field of future research. The study is based on data collected from 166 respondents. The impact of sustainability advertising is investigated by an experimental manipulation of the advertising condition. To test the hypotheses, structural equation models are applied, as well as one-way analyses of variance.
Composite films of graphene oxide with semiconducting carbon nanotubes: Raman spectroscopy characterization
Authors: Kurnosov N. V. , Karachevtsev V. A.
Published: March 2021

Noncovalent interaction between semiconducting single-walled carbon nanotubes (SWNTs) and graphene oxide (GO) in composite films (GO-SWNTs) was analyzed by Raman spectroscopy in the range of D and G modes (1170–1780 cm−1). Comparison between Raman spectra of composite film and single-component GO and SWNTs films showed that the interaction between GO and SWNTs is accompanied by a band broadening and spectral shifting. Observed spectral transformations are attributed to charge transfer between GO and SWNTs as well as a deformation of carbon surfaces which occurs in the composite. Spectral measurements of composite GO-SWNTs film with biological globular molecules (the enzyme glucoseoxidase) showed that these molecules weaken mechanical stress of GO on the nanotubes.
On possible role of hydrogen peroxide molecules in ion beam therapy of cancer cells
Authors: Volkov Sergey N.
Published: March 2021

The possible role of molecular products of cell radiolysis, in particular, hydrogen peroxide molecules, in blocking DNA activity in cancer cells during irradiation with heavy ions is investigated. It is supposed that hydrogen peroxide molecules can form long-lived molecular complexes with DNA atomic groups and, thus, prevent the realization of genetic information in the biological cells. Using the quantum-mechanical approach based on density functional method and implicitly taking into account the aqueous medium, the competitive interactions of water and hydrogen peroxide molecules with DNA nucleic bases have been analyzed. Estimates of the characteristic lifetimes of complexes of water molecules and hydrogen peroxide with atomic groups of DNA allow showing the possibility to block the genetic activity of DNA by hydrogen peroxide in biological cells after their irradiation with ion beams. The effect of DNA blocking in cancer cells could be enhanced by a decrease in the cell temperature.
Analysis of low-temperature FMR spectra of Fe3O4 and ZnFe2O4 nanoparticles synthesized using organic molecules
Authors: Sova K. Yu. , Vakula A. S. , Tarapov S. I. , Belous A. G. , Solopan S. O.
Published: March 2021

The ferromagnetic resonance (FMR) spectra of Fe3O4 and ZnFe2O4 nanoparticles with organic synthesis products were studied at T = 4.2 K. It was determined that the sintering of nanoparticles induced by postsynthesis heat treatment forms a mechanically unstable transition layer between them. Changes in the FMR spectra of Fe3O4 nanoparticles synthesized by precipitation in microemulsions using octylphenol ethoxylate and by the cryochemical method are mainly determined by the field of dipole-dipole interaction between nanoparticles.
The influence of low-temperature argon matrix on embedded water clusters. A DFT theoretical study
Authors: Vasylieva A. , Doroshenko I. , Stepanian S. , Adamowicz L.
Published: March 2021

Computer simulations of an argon fcc crystal fragment with embedded water clusters of different sizes are performed using the quantum mechanical DFT/M06-2X method. The effect of the argon matrix on the structural, energy, and spectral parameters of individual water clusters are investigated. The formation energies of (H2O)n@Arm complexes, as well as deformation energies of water clusters and of the argon crystal involved in the embedment, are computed for n = 1–7. Matrix shifts of the IR vibrational frequencies of water clusters isolated in argon matrices are predicted based on the results of the calculations. The predictions indicate a possibility of the formation of small stable water complexes in low-temperature argon matrices.
Computation of the chemical potential and solubility of amorphous solids
Authors: Vinutha H. A. , Frenkel Daan
Published: March 2021

Using a recently developed technique to estimate the equilibrium free energy of glassy materials, we explore if equilibrium simulation methods can be used to estimate the solubility of amorphous solids. As an illustration, we compute the chemical potentials of the constituent particles of a two-component Kob–Andersen model glass former. To compute the chemical potential for different components, we combine the calculation of the overall free energy of the glass with a calculation of the chemical potential difference of the two components. We find that the standard method to compute chemical potential differences by thermodynamic integration yields not only a wide scatter in the chemical potential values, but also, more seriously, the average of the thermodynamic integration results is well above the extrapolated value for the supercooled liquid. However, we find that if we compute the difference in the chemical potential of the components with the non-equilibrium free-energy expression proposed by Jarzynski, we obtain a good match with the extrapolated value of the supercooled liquid. The extension of the Jarzynski method that we propose opens a potentially powerful route to compute the free-energy related equilibrium properties of glasses. We find that the solubility estimate of amorphous materials obtained from direct-coexistence simulations is only in fair agreement with the solubility prediction based on the chemical potential calculations of a hypothetical “well-equilibrated glass.” In direct-coexistence simulations, we find that, in qualitative agreement with experiments, the amorphous solubility decreases with time and attains a low solubility value.
Sorption-induced static mode nanomechanical sensing with viscoelastic receptor layers for multistep injection-purge cycles
Authors: Minami Kosuke , Shiba Kota , Yoshikawa Genki
Published: March 2021

Nanomechanical sensors and their arrays have been attracting significant attention for detecting, distinguishing, and identifying target analytes. In the static mode operation, sensing signals are obtained by a concentration-dependent sorption-induced mechanical strain/stress. The analytical models for the static mode nanomechanical sensing with viscoelastic receptor layers have been proposed, while they are not formulated for practical conditions, such as multistep injection-purge cycles. Here, we derive an analytical model of viscoelastic material-based nanomechanical sensing by extending the theoretical model via solving differential equations with recurrence relations. The presented model is capable of reproducing the transient behaviors observed in the experimental signal responses with multistep injection-purge cycles, including drifts and/or changes in the baseline. Moreover, this model can be utilized for extracting viscoelastic properties of the receptor material/analyte pairs as well as the concentrations of analytes accurately by fitting a couple of injection-purge curves obtained from the experimental data. The parameters of the model that best fit the data can be used for predicting the entire signal response.
Measurement and analysis of photoluminescence in GaN
Authors: Reshchikov Michael A.
Published: March 2021

Photoluminescence (PL) spectroscopy is a powerful tool in studying semiconductor properties and identifying point defects. Gallium nitride (GaN) is a remarkable semiconductor material for its use in a new generation of bright white LEDs, blue lasers, and high-power electronics. In this Tutorial, we present details of PL experiments and discuss possible sources of mistakes. A brief analysis of near-band-edge emission includes basic characterization of GaN, essential findings about excitons in this material, and the explanation of less known details. We review modern approaches of quantitative analysis of PL from point defects in GaN. The updated classification of defects in undoped GaN and their latest identifications are presented. Typical mistakes in the interpretation of PL spectra from GaN are discussed, and myths about PL are refuted.
The role of elasticity in thixotropy: Transient elastic stress during stepwise reduction in shear rate
Authors: Choi Jiho , Armstrong Matthew , Rogers Simon A.
Published: March 2021

Despite the wide-spread use and importance of thixotropic materials, accurate theoretical descriptions are still limited to a handful of model transient flow conditions. We employ an iterative series of tests to experimentally probe the complex dynamics exhibited by thixotropic materials. We use flow cessation tests to identify transient elastic stresses during stress jump tests. It is shown that the evolution of the elastic stress closely follows that of total stress in the series of stress jump tests, indicating that elasticity is a significant contributor to thixotropy.