bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tuning the Molecular Packing of Self‐Assembled Amphiphilic PtII Complexes by Varying the Hydrophilic Side‐Chain Length
Authors: Herkert Lorena , Selter Philipp , Daniliuc Constantin G. , Bäumer Nils , Palakkal Jasnamol P. , Fernández Gustavo , Hansen Michael Ryan 
Published: December 2020

AbstractUnderstanding the relationship between molecular design and packing modes constitutes one of the major challenges in self‐assembly and is essential for the preparation of functional materials. Herein, we have achieved high precision control over the supramolecular packing of amphiphilic PtII complexes by systematic variation of the hydrophilic side‐chain length. A novel approach of general applicability based on complementary X‐ray diffraction and solid‐state NMR spectroscopy has allowed us to establish a clear correlation between molecular features and supramolecular ordering. Systematically increasing the side‐chain length gradually increases the steric demand and reduces the extent of aromatic interactions, thereby inducing a gradual shift in the molecular packing from parallel to a long‐slipped organization. Notably, our findings highlight the necessity of advanced solid‐state NMR techniques to gain structural information for supramolecular systems where single‐crystal growth is not possible. Our work further demonstrates a new molecular design strategy to modulate aromatic interaction strengths and packing arrangements that could be useful for the engineering of functional materials based on PtII and aromatic molecules.
Sb6O7(SO4)2: A Promising Ultraviolet Nonlinear Optical Material with an Enhanced Second‐Harmonic‐Generation Response Activated by SbIII Lone‐Pair Stereoactivity
Authors: Wei Qi , He Chao , Wang Kui , Duan Xiao‐Fang , An Xing‐Tao , Li Jin‐Hua , Wang Guo‐Ming 
Published: December 2020

AbstractThe stereochemical activity of lone pairs (SCALP) in a cation favors the formation of acentric materials and can enhance the second‐harmonic‐generation (SHG) response and/or the birefringence. By introducing functional SbIII into sulfates, an anhydrous sulfate of Sb6O7(SO4)2 (1) is explored. Sb3+ cations are in seesaw configurations and in‐phase aligned in a 3D asymmetric dense structure. Compound 1 exhibits an enhanced phase‐matching SHG response, a moderate birefringence, a wide transparency window, and considerable environmental stabilities, which result in it being a promising UV nonlinear optical (NLO) material. Theoretical studies reveal that the stereoactive lone pairs on Sb3+ cations make the predominant contribution to the SHG effect. This work will attract more interest from scientists for research into SCALP‐cation‐based NLO materials.
Analysis of Mobility Effects in Particle‐Gas Flows by Particle‐Resolved LBM‐DEM Simulations
Authors: Rosemann Tony , Reinecke Simon R. , Kruggel‐Emden Harald 
Published: December 2020

AbstractParticle‐resolved direct numerical simulations are performed to simulate the flow through particle assemblies that are either static or freely moving to demonstrate the influence of particle mobility. To obtain a comprehensive understanding for this influence essential parameters such as the Reynolds number, solids volume fraction, particle‐fluid density ratio, collision parameters and particle shape are varied. The influence of particle mobility is assessed by evaluating the particle‐fluid forces, the particle ensemble structure and particle velocities. It is found that the ability of existing correlations for static particle systems to predict drag and lift forces correctly in dynamic particle‐gas flows is limited and that drift forces perpendicular to the drag force play an important role.
CFD‐DEM simulation of wall sheeting and particles charge in fluidized beds
Authors: Kazemi Saman , Zarghami Reza , Mostoufi Navid , Sotudeh‐Gharebagh Rahmat 
Published: December 2020

AbstractThe effect of the electrostatic charge of particles was investigated in fluidized beds with conductive and nonconductive walls. For this purpose, changes in the wall surface charge density and particle contact time near the wall were examined. Computational fluid dynamics/discrete element method (CFD‐DEM) was utilized to simulate the accumulation of particle and wall‐induced electrostatic charges in a quasi‐two‐dimensional fluidized bed. Particles and walls were initially considered neutral and gained charge with time. The simulations showed that aggregated particles are formed due to the presence of the opposite electrostatic charges. Agglomerates are produced by joining the aggregated particles together. Agglomerates have a layered‐like structure and are made of positive and negative particles. Accumulation of these agglomerates and aggregated particles on the wall forms wall sheeting, which has a layered‐like structure. In other words, particles do not accumulate on the wall individually. A significant accumulation of particles near the wall was seen in the presence of electrostatic charges compared with the neutral bed. Also, the contact time of particles on the wall in the conductive case was more prolonged than in the nonconductive case. The results indicate that the CFD‐DEM approach is a helpful technique for predicting particles behaviour in the presence of the electrostatic charge.
Nye tray vs sieve tray: A comparison based on computational fluid dynamics and tray efficiency
Authors: Abbasnia Sadegh , Nasri Zarrin , Shafieyoun Vali , Golzarijalal Mohammad 
Published: December 2020

AbstractNye and sieve trays were hydrodynamically simulated and compared. The simulations were performed in a Eulerian‐Eulerian framework under unsteady (transient) conditions at industrial scale. Conducted on an air‐water system, the simulations included three dimensions and two phases. The velocity distribution across the tray, the height of clear liquid, the froth height, and the pressure drop were investigated and compared with experimental data. Péclet number was calculated using hydrodynamic and geometric parameters. The tray efficiencies were also predicted to further compare the two trays. The results showed that the liquid flow was steadier on the Nye tray rather than the sieve tray, possibly because of the special structure of the liquid and gas inlets for the Nye tray.
Safety, Tolerability, and Pharmacokinetics of PF‐06823859, an Anti–Interferon β Monoclonal Antibody: A Randomized, Phase I, Single‐ and Multiple‐Ascending‐Dose Study
Authors: Neelakantan Srividya , Oemar Barry , Johnson Kristen , Rath Natalie , Salganik Mikhail , Berman Gabe , Pelletier Kathleen , Cox Lori , Page Karen , Messing Dean , Tarabar Sanela 
Published: December 2020

AbstractThis double‐blind, randomized, placebo‐controlled, dose‐ascending, first‐in‐human study (NCT02766621) assessed the safety, tolerability, and pharmacokinetics (PK) of PF‐06823859, an anti–interferon β monoclonal antibody. Healthy subjects were randomized to single ascending doses (SADs) of intravenous PF‐06823859 30, 100, 300, 900, or 2000 mg or placebo; to multiple ascending doses (MADs) of subcutaneous PF‐06823859 100 or 300 mg or placebo (once every 2 weeks for a total of 3 doses); or to MAD of intravenous PF‐06823859 600 mg or placebo (once every 3 weeks or once every 4 weeks for a total of 2 doses). The incidence, severity, and causal relationship of adverse events (AEs) were assessed, along with immunogenicity and PK. In total, 62 subjects were randomized to treatment (SAD, n = 35; MAD, n = 27). There were 76 treatment‐emergent all‐causality AEs in the SAD (PF‐06823859: n = 25; placebo: n = 4) and MAD (PF‐06823859: n = 40; placebo: n = 7) cohorts. In the SAD cohorts, all treatment‐emergent all‐causality AEs were mild in severity; 4 AEs of moderate severity were identified in the MAD cohorts. No dose‐limiting AEs, serious AEs, treatment‐related discontinuations, dose reductions, or deaths occurred. PF‐06823859 exposure increased dose‐proportionally, with half‐life values ranging between 23 and 35 days. The estimated subcutaneous bioavailability was 43% to 44%. Immunogenicity incidence rates were low (antidrug antibodies, 12.5%; neutralizing antibodies, 2.1%). No immunogenically related clinical responses of concern were observed. In conclusion, PF‐06823859 demonstrated an acceptable safety, tolerability, and PK profile that supports clinical development for treating disorders associated with increased interferon β levels, such as dermatomyositis or systemic lupus erythematosus.
Trained immunity as a novel approach against COVID‐19 with a focus on Bacillus Calmette–Guérin vaccine: mechanisms, challenges and perspectives
Authors: Sohrabi Yahya , Dos Santos Jéssica Cristina , Dorenkamp Marc , Findeisen Hannes , Godfrey Rinesh , Netea Mihai G , Joosten Leo AB 
Published: December 2020

AbstractCOVID‐19 is a severe health problem in many countries and has altered day‐to‐day life in the whole world. This infection is caused by the SARS‐CoV‐2 virus, and depending on age, sex and health status of the patient, it can present with variety of clinical symptoms such as mild infection, a very severe form or even asymptomatic course of the disease. Similarly to other viruses, innate immune response plays a vital role in protection against COVID‐19. However, dysregulation of innate immunity could have a significant influence on the severity of the disease. Despite various efforts, there is no effective vaccine against the disease so far. Recent data have demonstrated that the Bacillus Calmette–Guérin (BCG) vaccine could reduce disease severity and the burden of several infectious diseases in addition to targeting its primary focus tuberculosis. There is growing evidence for the concept of beneficial non‐specific boosting of immune responses by BCG or other microbial compounds termed trained immunity, which may protect against COVID‐19. In this manuscript, we review data on how the development of innate immune memory due to microbial compounds specifically BCG can result in protection against SARS‐CoV‐2 infection. We also discuss possible mechanisms, challenges and perspectives of using innate immunity as an approach to reduce COVID‐19 severity.
A corner truncated fractal slot ultrawide spectrum sensing antenna for wireless cognitive radio sensor network
Authors: Goswami Pankaj Kumar , Goswami Garima 
Published: December 2020

SummaryDue to the scarcity of the radio frequency spectrum, the emergent network sharing technique elicits the efficient use of licensed unutilized spectrum. Here, an ultra‐wideband (UWB) microstrip antenna is proposed for wireless cognitive radio sensor network (WCRSN). The antenna is uniquely designed for large spectrum scanning of channel vacancies in licensed frequency bands. Software‐defined radios (SDR) govern the algorithmic controls on spectrum sensing and channel interface using an appropriate antenna. The antenna comprises the effects of fractal slot patch and electromagnetic bandgap (EBG) ground structures on 12 × 18 × 1.6 mm3 FR4 (relative dielectric constant of 4.4) substrate. Circular polarization is achieved through corner truncation to make antenna orientation free in wireless sensing networks. The measured |S11| parameter offers 0.75‐ to 12‐GHz wide spectrum sensing with 2.51‐dBi average gain. The antenna is unique in compactness and includes lower edge bands of frequencies (0.75–3.1 GHz) along with UWB (3.1–12.0 GHz) for a very wide range scanning to utilize vacant channel opportunity in WCRSN through SDR. The proposed structure is experimented and validated for real‐time wideband scanning of the frequency spectrum within the operating limit as per the allotted FCC standard.
Anion Directed Selective Synthesis of Supramolecular Metallocycles and Related Coordination Dimers
Authors: Sturm Lisa , Göb Christian R. , Oppel Iris M. 
Published: December 2020

AbstractThe reaction of C3‐symmetric tris‐(2‐pyridinylene‐N‐oxide)triaminoguanidinium salts ([H3L]X) and zinc(II) in presence of thiocyanate and different carboxylate ions as co‐ligands yields in a series of different coordination compounds. Supramolecular metallocycles and carboxylate‐bridged dimers are defined by two fundamentally different binding motifs. By adjusting the co‐ligands’ stoichiometry, metallocycles and carboxylate‐bridged compounds can be synthesized selectively. Furthermore, the occupation of the metallocycles with co‐ligands can also be controlled that way. Directed synthesis of these metallocycles is essential for further application in host‐guest chemistry due to their cavities and porosity in the solid state.
The value of including families in the treatment of anorexia nervosa
Authors: Treasure Janet , Parker Stacey , Oyeleye Oyenike , Harrison Amy 
Published: December 2020

AbstractThe aim of this paper is to consider family and wider carer involvement in the treatment of anorexia nervosa, and how this can be used to add value to services. We discuss widely adopted interventions involving the family that have been manualised and studied in trials that have outcome measures that are of relevance to illness costs. The therapeutic targets of these interventions range from a focus on feeding to the wellbeing of the whole family. The theoretical models that underpin interventions involving the family/wider carers include both intra and interpersonal processes, with the exception of family‐based therapy, which in its original form holds an agnostic stance towards aetiology. Although formal evaluation of the cost effectiveness of these interventions is minimal, there is evidence that involving the family can reduce bed use and improve the wellbeing of both patients and family members. Moreover, for the most part, these interventions are acceptable to patients and carers. Finally, we consider how these approaches can be disseminated and scaled up more widely into services.
Separate signaling events control TCR downregulation and T cell activation in primary human T cells
Authors: van der Donk Lieve E. H. , Ates Louis S. , van der Spek Jet , Tukker Laura M. , Geijtenbeek Teunis B. H. , van Heijst Jeroen W. J. 
Published: December 2020

AbstractIntroductionT‐cell antigen receptor (TCR) interaction with cognate peptide:MHC complexes trigger clustering of TCR:CD3 complexes and signal transduction. Triggered TCR:CD3 complexes are rapidly internalized and degraded in a process called ligand‐induced TCR downregulation. Classic studies in immortalized T‐cell lines have revealed a major role for the Src family kinase Lck in TCR downregulation. However, to what extent a similar mechanism operates in primary human T cells remains unclear.MethodsHere, we developed an anti‐CD3‐mediated TCR downregulation assay, in which T‐cell gene expression in primary human T cells can be knocked down by microRNA constructs. In parallel, we used CRISPR/Cas9‐mediated knockout in Jurkat cells for validation experiments.ResultsWe efficiently knocked down the expression of tyrosine kinases Lck, Fyn, and ZAP70, and found that, whereas this impaired T cell activation and effector function, TCR downregulation was not affected. Although TCR downregulation was marginally inhibited by the simultaneous knockdown of Lck and Fyn, its full abrogation required broad‐acting tyrosine kinase inhibitors.ConclusionsThese data suggest that there is substantial redundancy in the contribution of individual tyrosine kinases to TCR downregulation in primary human T cells. Our results highlight that TCR downregulation and T cell activation are controlled by different signaling events and illustrate the need for further research to untangle these processes.
The progress of magnetic sensor applied in biomedicine: A review of non‐invasive techniques and sensors
Authors: Li Yongying , Cheng Hui , Alhalili Zahrah , Xu Guiying , Gao Guo 
Published: December 2020

AbstractWith the rapid development of sensing technology, it has attracted tremendous interests in the field of biomedicine because of its good biocompatibility, reliability, and safety. In comparison to other sensors, magnetic sensor has a broad application prospect in biomedical field due to its high sensitivity, small size, and intriguing non‐invasive detection property. The purpose of this review is to discuss the applications of magnetic sensors in the biomedical field. First, some widely used magnetic sensors are reviewed based on their working principle and characteristics. Then, the applications of magnetic sensors in biomedical field are introduced from the aspects of magnetic label‐based bioassays, detection of biological movement, and biology magnetism. Finally, the future development direction and prospect of magnetic sensors in biomedical field are prospected. This review will provide a general outlook for the applications of magnetic sensors in biomedicine.
Amoebic colitis: A case series of a recurring missed diagnosis
Authors: Abasszade Joshua Haron , Little Robert , Yeaman Fiona , Robertson Marcus , Bell Sally 
Published: December 2020

AbstractEntamoeba histolytica, a pathogenic protozoan that causes amoebiasis, remains the second leading cause of death from parasitic infections worldwide. We present a case series of patients presenting to metropolitan tertiary gastroenterology units in Melbourne, Australia, highlighting the complexities of diagnosing amoebic colitis and the potential for misdiagnosis. These cases illustrate four key lessons in the identification of amoebic colitis: (i) obtaining a thorough travel and exposure history, (ii) having a high index of suspicion, (iii) understanding the limitations of available investigations, and (iv) being aware that amoebic colitis may masquerade as other common conditions.
Fully automated detection and differentiation of pandemic and endemic coronaviruses (NL63, 229E, HKU1, OC43 and SARS‐CoV‐2) on the hologic panther fusion
Authors: Cordes Anne K. , Rehrauer William M. , Accola Molly A. , Wölk Benno , Hilfrich Birgitta , Heim Albert 
Published: December 2020

AbstractThe hologic panther fusion (PF) platform provides fully automated CE marked diagnostics for respiratory viruses, including the recently discovered severe acute respiratory syndrome‐coronavirus 2 (SARS‐CoV‐2) by a transcription mediated amplification (TMA) assay, but not for the endemic human coronaviruses (hCoV). Therefore, a laboratory developed test (LDT) comprising a multiplexed reverse transcription polymerase chain reaction (RT‐PCR) protocol that detects and differentiates the four hCoV NL63, 229E, HKU1, and OC43 was adapted on the PF. The novel CE marked Aptima SARS‐CoV‐2 TMA and the LDT for hCoV were validated with 321 diagnostic specimens from the upper and lower respiratory tract in comparison to two SARS‐CoV‐2 RT‐PCRs (PF E‐gene RT‐PCR and genesig RT‐PCR, 157 specimens) or the R‐GENE hCoV/hParaFlu RT‐PCR (164 specimens), respectively. For the endemic hCoV, results were 96.3% concordant with two specimens discordantly positive in the PF and four specimens discordantly positive in the R‐GENE assay. All discordantly positive samples had Ct values between 33 and 39. The PF hCoV LDT identified 23 hCoV positive specimens as NL63, 15 as 229E, 15 as HKU1, and 25 as OC43. The Aptima SARS‐CoV‐2 TMA gave 99.4% concordant results compared to the consensus results with a single specimen discordantly positive. Moreover, 36 samples from proficiency testing panels were detected and typed correctly by both novel methods. In conclusion, the SARS‐CoV‐2 TMA and the LDT for hCoV enhanced the diagnostic spectrum of the PF for all coronaviruses circulating globally for a multitude of diagnostic materials from the upper and lower respiratory tract.
Interspecific differences, plastic, and evolutionary responses to a heat wave in three co‐occurring Daphnia species
Authors: Vanvelk Héléne , Govaert Lynn , van den Berg Edwin M. , Brans Kristien I. , De Meester Luc 
Published: December 2020

AbstractMany studies document genetic and phenotypic trait changes of species in response to climate change, or document how evolution of individual species can impact population abundances and community composition. An integration of population and community‐level responses requires, however, a multiple species approach. Here we quantify among‐ and within‐species differences in thermal tolerance and life‐history traits in three co‐occurring Daphnia species upon exposure to a naturally occurring heat wave. Populations of randomly isolated clones of Daphnia magna, Daphnia pulicaria, and Daphnia galeata from the same pond were exposed to a natural heat wave in outdoor mesocosms. We subsequently conducted a common garden experiment in the laboratory using clonal lineages isolated at the end of the mesocosm selection experiment, at two rearing temperatures, measuring thermal tolerance and life‐history traits. We find pronounced plasticity responses to higher rearing thermal regime in each study species. We observe only few significant microevolutionary responses involving evolution of plasticity in D. pulicaria. Yet in terms of effect size, evolutionary trait change within species contributes more than 25% to total trait change in response to the heat wave for a majority of the trait × species combinations. The relative importance of intraspecific to interspecific variation varies widely among traits. Our results show that the relative importance of interspecific variation, phenotypic plasticity, and evolutionary trait change differs strongly depending on the set of species and traits studied. Taking into account this variation at different levels of biological organization is important to predict community‐wide responses to global change.
Efficacy of Lactiplantibacillus plantarum 299 and 299v against nosocomial oropharyngeal pathogens in vitro and as an oral prophylactic treatment in a randomized, controlled clinical trial
Authors: Tranberg Anna , Klarin Bengt , Johansson Julia , Påhlman Lisa I. 
Published: December 2020

AbstractBackgroundDisturbance in the oropharyngeal microbiota is common in hospitalized patients and contributes to the development of nosocomial pneumonia. Lactiplantibacillus plantarum 299 and 299v (Lp299 and Lp299v) are probiotic bacteria with beneficial effects on the human microbiome.AimTo investigate how Lp299 and Lp299v affect the growth of nosocomial oropharyngeal pathogens in vitro and to evaluate the efficacy in vivo when these probiotics are administered prophylactically in hospitalized patients.MethodsThe in vitro effect of Lp299 and Lp299v on nosocomial respiratory tract pathogens was evaluated using two methods, the co‐culture and agar overlay. In the clinical study, patients were randomized to orally receive either probiotics or placebo twice daily during their hospital stay. Oropharyngeal swabs were analyzed at inclusion and every fourth day throughout hospitalization.FindingsAll tested pathogens were completely inhibited by both Lp299 and Lp299v using the agar‐overlay method. In the co‐culture experiment, Lp299 and Lp299v significantly (p < 0.05) reduced the growth of all pathogens except for Enterococcus faecalis co‐incubated with Lp299. In the clinical study, daily oral treatment with Lp299 and Lp299v did not influence the development of disturbed oropharyngeal microbiota or nosocomial infection. Proton pump inhibitors, antibiotics, and steroid treatment were identified as risk factors for developing disturbed oropharyngeal microbiota.ConclusionsLp299 and Lp299v inhibited pathogen growth in vitro but did not affect the oropharyngeal microbiota in vivo. The ClinicalTrials.gov Identifier for this study is NCT02303301.