bluuebunny/crossref_metadata_2025_split huggingface dataset:
Copper (I) Catalyzed Homo‐ and Heterocoupling of Mono and Disaccharide Deoxy Sugar Based Terminal Alkynes to Synthesize Mimic Glycoconjugates
Authors: Thakur Kratima , Khare Naveen K. 
Published: April 2021

AbstractIn this communication, we have reported a productive and cost‐effective catalytic system containing copper (I) iodide (CuI) and 4‐dimethyl aminopyridine (DMAP), used for the first time in homo‐ and heterocoupling of stereoselective α‐2‐deoxy monosaccharide propargyl glycosides and α‐2‐deoxy disaccharide propargyl glycosides respectively in acetonitrile (MeCN) afforded the mimic oligosaccharide based conjugated 1,3‐diyne derivatives upto 96 % yield under aerobic condition at room temperature. The results proved that the symmetrical homo coupling are exclusively favoured following the Glaser‐Hay reaction and on other hand we have successfully synthesized the unsymmetrical heterocoupled deoxy sugar based mimic oligosaccharide products in good to excellent yield. This reaction involved mild conditions, a wide substrate scope, and excellent functional group compatibility as well as less reaction time. In this article, a library of nine novel stereoselective deoxy sugar derived symmetrical and unsymmetrical coupled products have been synthesized and structures were determined by the 1H, 13C & 2D NMR spectroscopy.
Design, Synthesis and Biological Evaluation of Novel 5‐Phenyl‐5‐(thiophen‐2‐yl)‐4H‐1,2,4‐triazole‐3‐thiols as an Anticancer Agent
Authors: Patel Krupa R. , Brahmbhatt Jpan G. , Pandya Pranav A. , Bhadresha Kinjal , Daraji Drashti G. , Patel Hitesh D. , Rawal Rakesh M. , Baran Sujit K. , Jayanthi Sivaraman 
Published: April 2021

AbstractTumor suppressor protein p53 is one of the most appealing targets for targeted anticancer therapy, due to its significant role in cancer prevention and abundant mutation in human cancers. A novel series of 4‐phenyl‐5‐(thiophen‐2‐yl)‐4H‐1,2,4‐triazole‐3‐thiols having ability to liberate p53 function by interrupting p53‐MDM2 interaction were successfully discovered by structure‐based designing approach and the principle of bioisosterism. In silico modules predicted that these small molecule inhibitors comprising 1,2,4‐triazole‐3‐thiol scaffold have draggability and ability to mimic critical binding residues of p53. To verify this hypothesis, we have synthesized and evaluated all designed compounds for their in vitro antiproliferative activity against A549, U87 and HL60 cell lines. Fourteen out of fifteen compounds exhibited good in vitro inhibitory activity in lower micromolar values. Particularly, compound F10 possessed excellent antitumor activity with IC50 values 1.029, 5.193 and 9.292 μM against three tested cell lines. IC50 value of potent analogous F10 in A549 cells decreases to 0.908 and 0.816 μM after 48 and 72 hours of incubation, respectively. Compound F10 represents a novel and promising lead structure for the development of antitumor agents as MDM2‐p53 interaction disruptors.
Preparation and Electrochemical Performance of Reduced Graphene and SnO2 Nanospheres Composite Materials for Lithium‐Ion Batteries and Sodium‐Ion Batteries
Authors: Chen Xinxin , Cai Ruizheng , Liu Penggao , Liu Weifang , Liu Kaiyu 
Published: April 2021

AbstractSnO2 has been considered a promising anode material for lithium‐ion batteries (LIBs) and sodium‐ion batteries (SIBs) owing to the high capacity, and environmental friendliness. In this study, a mixture of reduced graphene oxide and SnO2 nanospheres (SnO2 NPs) was prepared via a simple method in the solution of graphene oxide (GO), Vitamin C and SnO2. Vitamin C plays an important role in reducing graphene oxide. In addition, graphene can alleviate volume changes of SnO2 as host and induce effective charge transfer through its interconnected network structure. As a consequence, the SnO2 NPs/rGO‐1composite exhibits excellent reversible capacity and cycling stability (400 mA h g−1 at 1000 mA g−1 after 100 cycles for LIBs and 212 mA h g−1 at 100 mA g−1 after 100 cycles for SIBs). The simple, economical, and environmentally friendly synthetic route will be of great significance to the design of anode materials for LIBs and SIBs in the future.
1D Mixed‐Stack Cocrystals Based on Perylene Diimide toward Ambipolar Charge Transport
Authors: Yu Panpan , Li Yang , Zhao Huijuan , Zhu Lingyun , Wang Yongshuai , Xu Wei , Zhen Yonggang , Wang Xinran , Dong Huanli , Zhu Daoben , Hu Wenping 
Published: April 2021

AbstractThere is very limited repertoire of organic ambipolar semiconductors to date. Electron donor–acceptor alternative stacking is a unique and important binary motif for 1D mixed‐stack cocrystals, opening up possibilities for the development of organic ambipolar semiconductors. Herein, four 1D mixed‐stack cocrystals using N,N′‐bis(perfluorobutyl)‐1,7‐dicyanoperylene‐3,4:9,10‐bis(dicarboximide) (PDICNF) as the acceptor and anthracene, pyrene, perylene, and meso‐diphenyl tetrathia[22]annulene[2,1,2,1] (DPTTA) as the donors are achieved in a stoichiometric ratio (D:A = 1:1) through solution or vapor processed methods. Their packing structures, energy levels, charge transfer interactions, coassembling behaviors, and molecular orientations are systematically investigated by single‐crystal X‐ray analysis, absorption spectra, fluorescence quenching, Job's curve plot, and polarized photoluminescence measurements with the help of theoretical calculations. The donor–acceptor alternative stacking direction coincides with the long axis for all the four cocrystals. The field‐effect transistors based on Pyrene‐PDICNF show the electron mobility up to 0.19 cm2 V−1 s−1, which is the highest value among perylene diimide‐based cocrystals. Moreover, DPTTA‐PDICNF cocrystals possess well‐balanced electron and hole mobility with 1.7 × 10−2 and 2.0 × 10−2 cm2 V−1 s−1 respectively due to both hole and electron strong superexchange interactions, shedding light on the design of 1D mixed‐stack cocrystals with excellent ambipolar transport behaviors.
Polysystemic autoimmune disease in a Cocker Spaniel with neurological and cardiac manifestations
Authors: Butler Thomas , Hall Harriet , McCallum Katie 
Published: April 2021

AbstractA 6‐year‐old female‐neutered Cocker Spaniel was presented for investigation of a 3‐week history of persistent pyrexia, lethargy, thoracic spinal pain and anorexia. Bloodwork documented marked elevation in C‐reactive protein (CRP) 103.5 mg/L (0‐8.2 mg/L) and haematological changes consistent with marked systemic inflammation. Investigations confirmed non‐erosive immune‐mediated polyarthritis, sterile neutrophilic pericarditis, non‐degenerate neutrophilic inflammation within the cerebrospinal fluid (CSF) consistent with neutrophilic pleocytosis, a small volume pleural effusion, elevated cardiac troponin and proteinuria. Systemic lupus erythematous (SLE) was considered despite a borderline anti‐nuclear antibody titre (1:40). Following initiation of immunosuppressive therapy (2 mg/kg prednisolone q 24 hrs), the patient had rapid resolution of clinical signs with normalisation of proteinuria, CRP and pericardial effusion after 1 month of treatment. This case represents an interesting presentation of polysystemic autoimmune disease in the dog.
Solvent dependent C−H Bond Strength in a Nickel Pincer Complex
Authors: Schneck Felix , Finger Markus , Siewert Inke , Schneider Sven 
Published: April 2021

AbstractMetal coordination can substantially weaken the bond strength of X−H bonds in coordinated ligands. Despite the importance for redox catalysis, this phenomenon is surprisingly scarcely examined for C−H bonds of organometallic compounds. We here report a nickel(I) pincer complex with a remote methylene group in the ligand backbone that exhibits an unusually solvent dependent C−H bond dissociation free energy (BDFEC−H). Structural and thermochemical characterization in MeCN and THF indicates that the BDFEC−H strongly depends on solvent binding to the metal within the NiII/NiI redox couple.
Nambu-Goldstone modes in non-equilibrium systems from AdS/CFT correspondence
Authors: Ishigaki Shuta , Matsumoto Masataka 
Published: April 2021

Abstract
We investigate dispersion relation of Nambu-Goldstone modes in a dissipative system realized by the AdS/CFT correspondence. We employ the D3/D7 model which represents $$ \mathcal{N} $$
N
= 4 supersymmetric Yang-Mills theory coupled to $$ \mathcal{N} $$
N
= 2 flavor fields. If we consider massless quarks in the presence of an external magnetic field, the system exhibits the phase transition associated with the spontaneous symmetry breaking of the chiral symmetry. We find that the Nambu-Goldstone modes show a diffusive behavior in the dispersion relation, which agrees with that found with the effective field theory approach. We also study a non-equilibrium steady state which has a constant current flow in the presence of an external electric field. In a non-equilibrium steady state, we find that the Nambu-Goldstone modes show a linear dispersion in the real part of the frequency in addition to the diffusive behavior. Moreover, we analyze the linear dispersion of the Nambu-Goldstone modes in the hydrodynamic approximation. As a result, we find that the linear dispersion can be written as the analytic functions of quantities in the dual field theory. Our results imply that such a linear dispersion is a characteristic behavior of Nambu-Goldstone modes in a non-equilibrium steady state.
Naturalness without new particles
Authors: Hook Anson 
Published: April 2021

Abstract
We demonstrate that the physics which resolves naturalness problems need not take the form of new particles and can sometimes manifest itself as higher dimensional operators. As a proof of principle, we present a simple model where the scale of new particles is parametrically separated from that estimated via naturalness arguments applied to self-quartic couplings. In this example, new particles appear far above the scale $$ m/\sqrt{\lambda } $$
m
/

λ

, where m is the mass of the particle and λ is its self-quartic coupling. The shift symmetry responsible for resolving the naturalness problem involves higher dimensional operators rather than new particles.
Dark matter detection, Standard Model parameters and Intermediate Scale Supersymmetry
Authors: Dunsky David , Hall Lawrence J. , Harigaya Keisuke 
Published: April 2021

Abstract
The vanishing of the Higgs quartic coupling at a high energy scale may be explained by Intermediate Scale Supersymmetry, where supersymmetry breaks at (109-1012) GeV. The possible range of supersymmetry breaking scales can be narrowed down by precise measurements of the top quark mass and the strong coupling constant. On the other hand, nuclear recoil experiments can probe Higgsino or sneutrino dark matter up to a mass of 1012 GeV. We derive the correlation between the dark matter mass and precision measurements of standard model parameters, including supersymmetric threshold corrections. The dark matter mass is bounded from above as a function of the top quark mass and the strong coupling constant. The top quark mass and the strong coupling constant are bounded from above and below respectively for a given dark matter mass. We also discuss how the observed dark matter abundance can be explained by freeze-out or freeze-in during a matter-dominated era after inflation, with the inflaton condensate being dissipated by thermal effects.
An Algorithm for the Factorization of Split Quaternion Polynomials
Authors: Scharler Daniel F. , Schröcker Hans-Peter 
Published: April 2021

AbstractWe present an algorithm to compute all factorizations into linear factors of univariate polynomials over the split quaternions, provided such a factorization exists. Failure of the algorithm is equivalent to non-factorizability for which we present also geometric interpretations in terms of rulings on the quadric of non-invertible split quaternions. However, suitable real polynomial multiples of split quaternion polynomials can still be factorized and we describe how to find these real polynomials. Split quaternion polynomials describe rational motions in the hyperbolic plane. Factorization with linear factors corresponds to the decomposition of the rational motion into hyperbolic rotations. Since multiplication with a real polynomial does not change the motion, this decomposition is always possible. Some of our ideas can be transferred to the factorization theory of motion polynomials. These are polynomials over the dual quaternions with real norm polynomial and they describe rational motions in Euclidean kinematics. We transfer techniques developed for split quaternions to compute new factorizations of certain dual quaternion polynomials.
D-modules of pure Gaussian type and enhanced ind-sheaves
Authors: Hohl Andreas 
Published: April 2021

AbstractDifferential systems of pure Gaussian type are examples of D-modules on the complex projective line with an irregular singularity at infinity, and as such are subject to the Stokes phenomenon. We employ the theory of enhanced ind-sheaves and the Riemann–Hilbert correspondence for holonomic D-modules of D’Agnolo and Kashiwara to describe the Stokes phenomenon topologically. Using this description, we perform a topological computation of the Fourier–Laplace transform of a D-module of pure Gaussian type in this framework, recovering and generalizing a result of Sabbah.
Monocyte dysregulation: consequences for hepatic infections
Authors: Sellau Julie , Puengel Tobias , Hoenow Stefan , Groneberg Marie , Tacke Frank , Lotter Hannelore 
Published: April 2021

AbstractLiver disorders due to infections are a substantial health concern in underdeveloped and industrialized countries. This includes not only hepatotropic viruses (e.g., hepatitis B, hepatitis C) but also bacterial and parasitic infections such as amebiasis, leishmaniasis, schistosomiasis, or echinococcosis. Recent studies of the immune mechanisms underlying liver disease show that monocytes play an essential role in determining patient outcomes. Monocytes are derived from the mononuclear phagocyte lineage in the bone marrow and are present in nearly all tissues of the body; these cells function as part of the early innate immune response that reacts to challenge by external pathogens. Due to their special ability to develop into tissue macrophages and dendritic cells and to change from an inflammatory to an anti-inflammatory phenotype, monocytes play a pivotal role in infectious and non-infectious liver diseases: they can maintain inflammation and support resolution of inflammation. Therefore, tight regulation of monocyte recruitment and termination of monocyte-driven immune responses in the liver is prerequisite to appropriate healing of organ damage. In this review, we discuss monocyte-dependent immune mechanisms underlying hepatic infectious disorders. Better understanding of these immune mechanisms may lead to development of new interventions to treat acute liver disease and prevent progression to organ failure.
Disrupted morphological grey matter networks in early-stage Parkinson’s disease
Authors: Suo Xueling , Lei Du , Li Nannan , Li Wenbin , Kemp Graham J. , Sweeney John A. , Peng Rong , Gong Qiyong 
Published: April 2021

AbstractWhile previous structural-covariance studies have an advanced understanding of brain alterations in Parkinson's disease (PD), brain–behavior relationships have not been examined at the individual level. This study investigated the topological organization of grey matter (GM) networks, their relation to disease severity, and their potential imaging diagnostic value in PD. Fifty-four early-stage PD patients and 54 healthy controls (HC) underwent structural T1-weighted magnetic resonance imaging. GM networks were constructed by estimating interregional similarity in the distributions of regional GM volume using the Kullback–Leibler divergence measure. Results were analyzed using graph theory and network-based statistics (NBS), and the relationship to disease severity was assessed. Exploratory support vector machine analyses were conducted to discriminate PD patients from HC and different motor subtypes. Compared with HC, GM networks in PD showed a higher clustering coefficient (P = 0.014) and local efficiency (P = 0.014). Locally, nodal centralities in PD were lower in postcentral gyrus and temporal-occipital regions, and higher in right superior frontal gyrus and left putamen. NBS analysis revealed decreased morphological connections in the sensorimotor and default mode networks and increased connections in the salience and frontoparietal networks in PD. Connection matrices and graph-based metrics allowed single-subject classification of PD and HC with significant accuracy of 73.1 and 72.7%, respectively, while graph-based metrics allowed single-subject classification of tremor-dominant and akinetic–rigid motor subtypes with significant accuracy of 67.0%. The topological organization of GM networks was disrupted in early-stage PD in a way that suggests greater segregation of information processing. There is potential for application to early imaging diagnosis.
A digital tool for prevention and management of cold weather injuries—Cold Weather Ensemble Decision Aid (CoWEDA)
Authors: Xu Xiaojiang , Rioux Timothy P. , Gonzalez Julio , Hansen Eric O. , Castellani John W. , Santee William R. , Karis Anthony J. , Potter Adam W. 
Published: April 2021

AbstractThis paper describes a Cold Weather Ensemble Decision Aid (CoWEDA) that provides guidance for cold weather injury prevention, mission planning, and clothing selection. CoWEDA incorporates current science from the disciplines of physiology, meteorology, clothing, and computer modeling. The thermal performance of a cold weather ensemble is defined by endurance times, which are the time intervals from initial exposure until the safety limits are reached. These safety limits correspond to conservative temperature thresholds that provide a warning of the approaching onset of frostbite and/or hypothermia. A validated six-cylinder thermoregulatory model is used to predict human thermal responses to cold while wearing different ensembles. The performance metrics, model, and a database of clothing properties were integrated into a user-friendly software application. CoWEDA is the first tool that allows users to build their own ensembles from the clothing menu (i.e., jackets, footwear, and accessories) for each body region (i.e., head, torso, lower body, hands, feet) and view their selections in the context of physiological strain and the operational consequences. Comparison of predicted values to skin and core temperatures, measured during 17 cold exposures ranging from 0 to −40°C, indicated that the accuracy of CoWEDA prediction is acceptable, and most predictions are within measured mean ± SD. CoWEDA predicts the risk of frostbite and hypothermia and ensures that a selected clothing ensemble is appropriate for expected weather conditions and activities. CoWEDA represents a significant enhancement of required clothing insulation (IREQ, ISO 11079) and wind chill index-based guidance for cold weather safety and survival.
Simulationen von Strömungsakustik in rotierenden Bauteilen zur Entwicklung von Antriebskonzepten der Autos der Zukunft
Authors: Freidhager Clemens , Maurerlehner Paul , Roppert Klaus , Wurzinger Andreas , Hauser Alexander , Heinisch Martin , Schoder Stefan , Kaltenbacher Manfred 
Published: April 2021

ZusammenfassungDie Antriebstechniken der Zukunft, wie z. B. der Elektromotor oder die Brennstoffzelle, erzeugen selbst nur sehr wenig Lärm, wodurch die Akustik der Hilfsaggregate in den Vordergrund tritt. Speziell rotierende Systeme wie die Kühlventilatoren des Elektromotors oder der Turbolader der Brennstoffzelle sind dabei Hilfsaggregate, denen eine große Bedeutung zukommt. Messungen an großen Versuchsaufbauten, um die Mechanismen, die in diesen Systemen Lärm verursachen zu verstehen, sind dabei häufig zu kosten- und zeitintensiv. Demzufolge werden immer häufiger komplexe Simulationen verwendet, um tiefergehendes Wissen über die Strömungsakustik in rotierenden Systemen aufzubauen. In diesem Beitrag präsentieren wir dazu eine Simulationsmethodik und zwei Anwendungen aus der Automobiltechnik.
No evidence for an effect of working from home on neck pain and neck disability among Swiss office workers: Short-term impact of COVID-19
Authors: Aegerter Andrea M. , Deforth Manja , Johnston Venerina , Sjøgaard Gisela , Volken Thomas , Luomajoki Hannu , Dratva Julia , Dressel Holger , Distler Oliver , Elfering Achim , Melloh Markus ,   the NEXpro collaboration group, Barbero Marco , Brunner Beatrice , Cornwall Jon , Da Cruz Pereira Yara , Egli Tobias , Ernst Markus J. , Etzer-Hofer Irene , Falla Deborah , Gisler Michelle , Haas Michelle , Johnston Venerina , Klaus Sandro , Kobelt Gina M. , Lüdtke Kerstin , Nicoletti Corinne , Niggli Seraina , Richard Salome , Sax Nadine , Schülke Katja , Staub Lukas , Zweig Thomas 
Published: April 2021

Abstract
Purpose
The aim of this study was to investigate the effect of working from home on neck pain (NP) among office workers during the COVID-19 pandemic.

Methods
Participants from two Swiss organisations, aged 18–65 years and working from home during the lockdown (n = 69) were included. Baseline data collected in January 2020 before the lockdown (office work) were compared with follow-up data in April 2020 during lockdown (working from home). The primary outcome of NP was assessed with a measure of intensity and disability. Secondary outcomes were quality of workstation ergonomics, number of work breaks, and time spent working at the computer. Two linear mixed effects models were fitted to the data to estimate the change in NP.

Results
No clinically relevant change in the average NP intensity and neck disability was found between measurement time points. Each working hour at the computer increased NP intensity by 0.36 points (95% CI: 0.09 to 0.62) indicating strong evidence. No such effect was found for neck disability. Each work break taken reduced neck disability by 2.30 points (95% CI:  − 4.18 to  − 0.42, evidence). No such effect was found for NP intensity. There is very strong evidence that workstation ergonomics was poorer at home.

Conclusion
The number of work breaks and hours spent at the computer seem to have a greater effect on NP than the place of work (office, at home), measurement time point (before COVID-19, during lockdown) or the workstation ergonomics. Further research should investigate the effect of social and psychological factors.

Trial registration
ClinicalTrials.gov, NCT04169646. Registered 15 November 2019—Retrospectively registered, https://clinicaltrials.gov/ct2/show/NCT04169646.