bluuebunny/crossref_metadata_2025_split huggingface dataset:
Undescribed Anti‐Inflammatory Thalysiaketides from Marine Sponge Clathria (Thalysias) vulpina (Lamarck, 1814)
Authors: Francis Prima , Chakraborty Kajal 
Published: January 2022

AbstractTwo undescribed polyketide‐type compounds, thalysiaketide A and thalysiaketide B were isolated from a sponge of marine origin Clathria (Thalysias) vulpina (Lamarck, 1814). Thalysiaketide A exhibited significantly greater inhibitory potential against inflammatory 5‐lipoxygenase (IC50 0.87 mM) and cyclooxygense‐2 (IC50 0.93 mM) compared to those displayed by its thalysiaketide B analog (IC50≥1.05 mM). The 5‐lipoxygenase inhibitory activity of thalysiaketide A was considerably superior to ibuprofen (standard, IC50>4 mM). Higher degree of polar belongings (topological polar surface area 93.06) in conjunction with relatively lower docking parameters of thalysiaketide A with the aminoacyl residues of cyclooxygense‐2 and 5‐lipoxygenase (docking score −12.99 and −12.27 kcal/mol, respectively) recognized its prospective anti‐inflammatory potential.
Interaction of membrane‐embedded cytochrome b‐complexes with quinols: Classical Q‐cycle and murburn model
Authors: Manoj Kelath Murali , Gideon Daniel Andrew , Jaeken Laurent 
Published: January 2022

We recently proposed a diffusible reactive (oxygen) species (DRS/DROS) based function for cytochrome b complexes (CBC) and quinones (Q)/quinols (QH2) in the murburn model of bioenergetics. This proposal is in direct conflict with the classical purview of Q‐cycle. Via extensive analyses of the structure‐function correlations of membrane‐quinones/quinols and proteins, we present qualitative and quantitative arguments to infer that the classical model cannot explain the energetics, kinetics, mechanism and probabilistic considerations. Therefore, it is proposed that Q‐cycle is neither necessary nor feasible at CBCs. In contrast, we substantiate that the murburn model explains: (a) crucial structural data of CBCs, (b) why quinones/quinols are utilized in bioenergetic membranes, (c) how trans‐membrane potential is generated owing to effective charge separation at CBCs, (d) mobility data of O2, DRS, Q/QH2, and (e) utility of other reaction/membrane components. Further, the murburn model also accommodates the absence of quinones in anaerobic Archaea, wherein methanophenazines are prevalent. The work mandates that the textbooks and research agendas are refreshed to reflect the new perception.SignificanceThe current article must be seen as a critical and detailed analysis of the role and working mechanism of quinone (Q) /quinols (QH2) in bioenergetic membranes. In the classical model, QH2 are perceived as highly mobile electron‐transport agents that bind and donate electrons to cytochrome b complexes (CBCs), using sophisticated electronic circuitries, in order to recycle Q and pump protons. The classical perception sees radicals (such as Q*‐, O2*‐, etc., also called diffusible reactive species, DRS) as wasteful or toxic (patho) physiological manifestations. It is highlighted herein that QH2 has low mobility and matrix has little protons to pump. New insights from the structural analyses of diverse CBCs and quinols, in conjunction with murburn reaction thermodynamics suggest that the electrons from substrates/quinols are effectively utilized via DRS. This perception fits into a much broader analysis of 1 and 2 electron transfers in overall redox metabolism, as recently brought out by the murburn model, wherein DRS are considered obligatory ingredients of physiology. Thus, the findings mandate a reorientation in the pertinent research field.
Case report of Osteopoikilosis in patient with psoriatic arthritis
Authors: Cherif Ines , Maatallah Kaouther , Ferjani Hanene , Triki Wafa , Ben Nessib Dorra , Kaffel Dhia , Hamdi Wafa 
Published: January 2022

AbstractOsteopoikilosis (OPK) is one of the rare genetic musculoskeletal, non‐inflammatory disorders that we should increase awareness toward. We report a case of a patient diagnosed with psoriatic arthritis with incidental imaging findings of lesions suggestive of osteopoikilosis.
Structural and Electronic Properties of Boranes Containing Boron‐Chalcogen Multiple Bonds and Stabilized by Amido Imidazoline‐2‐imine Ligands
Authors: Martínez Juan Pablo , Trzaskowski Bartosz 
Published: January 2022

AbstractThe stabilization of elusive monomeric species containing multiple boron‐chalcogen bonds has motivated the investigation of sophisticated ligand systems in the past few years. Recently, a series of neutral, Lewis acid‐free chalcogenboranes were prepared by incorporation of an amido imidazoline‐2‐imine as the supporting ligand (Frank et al., Angew. Chem. Int. Ed. 2021, 60, 4633), resulting in well‐defined molecular entities with pronounced multiple bond character, B=X (X=O, S, Se, Te). In view of the potential use of N‐heterocyclic boranes (NHB=X) as ligands in catalysis and fine chemistry, we evaluated in this work the bonding properties of the new B=X compounds based on a π‐backdonation model. The electronic properties of systems in question were modulated via systematic modifications of the NHB ring with respect to ligand variation, saturation, size, and heteroatom substitutions. Investigations into the B=X bond length and order, calculated by means of density functional theory methods, reveal enhanced B=X bonding properties for NHB rings with high electron delocalization in the NHB ring and bearing electron‐withdrawing substituents; a fact that was also confirmed by computational assessment of electron interactions of the B=X species with a dicarbonyl manganese complex. We expect that the analysis will contribute to the rational optimization of existing ligands as well as the development of new moieties, which would further allow for exploration of new boron chemistry.
Synthesis, Reactivity and Structural Properties of Trifluoromethylphosphoranides
Authors: Shyshkov Oleg O. , Kolomeitsev Alexander A. , Hoge Berthold , Lork Enno , Haupt Axel , Keßler Mira , Röschenthaler Gerd‐Volker 
Published: January 2022

AbstractPhosphoranides are interesting hypervalent species which serve as model compounds for intermediates or transition states in nucleophilic substitution reactions at trivalent phosphorus substrates. Herein, the syntheses and properties of stable trifluoromethylphosphoranide salts are reported. [K(18‐crown‐6)][P(CF3)4], [K(18‐crown‐6)][P(CF3)3F], and [NMe4][P(CF3)2F2] were obtained by treatment of trivalent precursors with sources of CF3− or F− units. These [P(CF3)4‐nFn]− (n=0–2) salts exhibit fluorinating (n=1–2) or trifluoromethylating (n=0) properties, which is disclosed by studying their reactivity towards selected electrophiles. The solid‐state structures of [K(18‐crown‐6)][P(CF3)4] and [K(18‐crown‐6)][P(CF3)3F] are ascertained by single crystal X‐ray crystallography. The dynamics of these compounds are investigated by variable temperature NMR spectroscopy.
Proposed RPL routing protocol in the IoT applications
Authors: Hadaya Nariman Najeeb , Alabady Salah Abdulghani 
Published: January 2022

SummaryRouting protocol for low‐power and lossy networks (RPL) is a proactive routing protocol that automates the path development process using objective functions (OFs). The IETF defines two types of RPL objective functions, minimum rank with hysteresis objective function (MRHOF) and OF0. OF0 is based on the minimum hop count metric while the MRHOF is based on the expected transmission count (ETX) metric. Because of the single metric, both MRHOF and OF0 will suffer from long hops when selecting the routs to the sink, and select inefficient routes maybe paths contain nodes with small residual energy, which may cause consume the nod's energy faster than other nodes. The other problem of RPL is unbalanced chosen by parents that make bottleneck nodes that cause more network delay and high packet loss ratio because of the high congestion nodes, especially the nodes that locate near the sink node. In this article, we proposed an improvement RPL objective function that considers three metrics (load, residual energy, and ETX metrics) instead of one metric, to solve the MRHOF problems. The performance of the proposed protocol shows the enhancement in the RPL performance in terms of PDR, total energy consumption, and many other parameters.
A novel expandable intersection‐ring architecture supporting optical network units' discretionary peer‐to‐peer communication in metro‐access network
Authors: Guo Yaqin , Gan Chaoqin , Zhan Nianfei 
Published: January 2022

SummaryDirect communication between optical network units (ONUs) provides the opportunity to reduce substantial latency among two communicating ONUs, which is very significant for next generation optical networks. In this paper, an expandable intersection‐ring architecture to support direct communication among ONUs is proposed. By adopting two tunable fiber Bragg gratings (FBGs), direct peer‐to‐peer communication of ONUs can be achieved. By utilizing the cyclic routing property of arrayed waveguide grating (AWG), upstream/downstream communication together with direct communication among ONUs can be carried out simultaneously. By adopting intersection‐ring topology, any two adjacent flexible expansion nodes (FENs) on the main ring can be used as intersections to extend a new subring, the scale of the network can be enhanced greatly. Meanwhile, not only the protection of multiple fiber faults can be realized, but also the fault protection of key nodes can be performed. By using a strategy of transmitting signals separately from the top and the bottom branches of the ring, communication efficiency can be improved, transmission latency can be reduced, and fault isolation can be achieved effectively. By the simulation experiment, the effectiveness of the proposed network is demonstrated.
Investigating the effects of compound paralogousEPHBreceptor mutations on mouse facial development
Authors: Mincer Sarah T. , Niethamer Terren K. , Teng Teng , Bush Jeffrey O. , Percival Christopher J. 
Published: January 2022

AbstractBackground: Variation in facial shape may arise from the combinatorial or overlapping actions of paralogous genes. Given its many members, and overlapping expression and functions, the EPH receptor family is a compelling candidate source of craniofacial morphological variation. We performed a detailed morphometric analysis of an allelic series of E14.5Ephb1‐3receptor mutants to determine the effect of each paralogous receptor gene on craniofacial morphology.Results: We found thatEphb1,Ephb2, andEphb3genotypes significantly influenced facial shape, butEphb1effects were weaker thanEphb2andEphb3effects.Ephb2−/−andEphb3−/−mutations affected similar aspects of facial morphology, butEphb3−/−mutants had additional facial shape effects. Craniofacial differences across the allelic series were largely consistent with predicted additive genetic effects. However, we identified a potentially important nonadditive effect whereEphb1mutants displayed different morphologies depending on the combination of otherEphbparalogs present, whereEphb1+/−,Ephb1−/−, andEphb1−/−;Ephb3−/−mutants exhibited a consistent deviation from their predicted facial shapes.Conclusions: This study provides a detailed assessment of the effects ofEphbreceptor gene paralogs on E14.5 mouse facial morphology and demonstrates how the loss of specific receptors contributes to facial dysmorphology.
Eating disorders in the U.S. Medicare population
Authors: Presskreischer Rachel , Steinglass Joanna E. , Anderson Kelly E. 
Published: January 2022

AbstractObjectiveThe social and economic burden of eating disorders is significant and often financially devastating. Medicare is the largest public insurer in the United States and provides coverage for older adults and some disabled individuals. This study explores prevalence, sociodemographic and clinical characteristics, and health care spending for Medicare enrollees with eating disorders.MethodA cross‐sectional study was conducted with the nationally representative 20% sample of 2016 Medicare inpatient, outpatient, carrier, and home health fee‐for‐service claims and Medicare Advantage encounter records. Sociodemographic characteristics and comorbid somatic conditions were compared between individuals with versus without an eating disorder diagnosis. Mean spending was compared overall and separately for inpatient, outpatient, home health, and pharmacy claims.ResultsThe sample included 11,962,287 Medicare enrollees of whom 0.15% had an eating disorder diagnosis. Compared to those without a 2016 eating disorder diagnosis, a greater proportion of individuals with an eating disorder were female (73.8% vs. 54.3%), under age 65 (41.6% vs. 15.5%), and dually eligible for Medicaid due to disability or low‐income qualification (48.0% vs. 19.6%). Individuals with eating disorders had higher rates of comorbid conditions, with the greatest differences in cardiac arrythmias (35.3% vs. 19.9%), arthritis (40.1% vs. 26.6%), and thyroid conditions (32.2% vs. 19.4%). Spending was higher for enrollees with eating disorders compared to those without overall ($29,456 vs. $7,418) and across settings.DiscussionThe findings establish that eating disorders occur in the Medicare population, and that enrollees with these illnesses have risk factors associated with significant healthcare spending and adverse health outcomes.
Guidelines for standardizing T‐cell cytometry assays to link biomarkers, mechanisms, and disease outcomes in type 1 diabetes
Authors: Yang Jennie H. M. , Ward‐Hartstonge Kirsten A. , Perry Daniel J. , Blanchfield J. Lori , Posgai Amanda L. , Wiedeman Alice E. , Diggins Kirsten , Rahman Adeeb , Tree Timothy I. M. , Brusko Todd M. , Levings Megan K. , James Eddie A. , Kent Sally C. , Speake Cate , Homann Dirk , Long S. Alice ,   The Immunology of Diabetes Society T‐Cell Cytometry Group
Published: January 2022

AbstractCytometric immunophenotyping is a powerful tool to discover and implement T‐cell biomarkers of type 1 diabetes (T1D) progression and response to clinical therapy. Although many discovery‐based T‐cell biomarkers have been described, to date, no such markers have been widely adopted in standard practice. The heterogeneous nature of T1D and lack of standardized assays and experimental design across studies is a major barrier to the broader adoption of T‐cell immunophenotyping assays. There is an unmet need to harmonize the design of immunophenotyping assays, including those that measure antigen‐agnostic cell populations, such that data collected from different clinical trial sites and T1D cohorts are comparable, yet account for cohort‐specific features and different drug mechanisms of action. In these Guidelines, we aim to provide expert advice on how to unify aspects of study design and practice. We provide recommendations for defining cohorts, method implementation, as well as tools for data analysis and reporting by highlighting and building on selected successes. Harmonization of cytometry‐based T‐cell assays will allow researchers to better integrate findings across trials, ultimately enabling the identification and validation of biomarkers of disease progression and treatment response in T1D.
Theoretical Study on Si−Cl Bond Activation in Pd‐Catalyzed Cross‐Coupling of Chlorosilanes with Organoaluminum
Authors: Naganawa Yuki , Nakajima Yumiko , Sakaki Shigeyoshi , Kameo Hajime 
Published: January 2022

AbstractThe catalytic cross‐coupling of chlorosilanes has recently emerged as an efficient method for the synthesis of organic silicon compounds. Direct Si−Cl bond activation by transition metals is a key elementary reaction in these methods. This theoretical study aimed to elucidate the mechanism of activation of the strong Si−Cl bond in Pd‐catalyzed coupling reaction to gain insights for rational catalyst design. Our results suggest two plausible pathways for the bond activation: (i) trans‐oxidative addition and (ii) SN2‐type oxidative addition assisted by a Lewis acid. With an increase in Cl substituents of chlorosilanes, trans‐oxidative addition highly feasible due to their higher Lewis acidities, in which the facile formation of the Pd→Si interaction enables the smooth activation of the Si−Cl bond. The general mechanism of direct Si−Cl bond activation presented here may prove useful for the rational design of catalysis in the future.
Conversion of a CO–CO2 co‐feed with a porous tubular copper catalyst at low potential
Authors: Sustronk Anne Clara , Benes Nieck Edwin , Mul Guido 
Published: January 2022

AbstractIn the electrochemical reduction of CO2, copper electrodes are well known to be active and selective for a variety of products, depending on process conditions. However, the effect of feed composition on performance has not been extensively investigated, especially with respect to the conversion of CO2 to CO. We now show for copper electrodes in a porous tubular configuration (Hollow Fibre Electrodes, HFEs) at a relatively low working potential (−1.1 V vs Ag/AgCl), that an increasing concentration of CO in the feed results in a decreasing CO2 conversion rate to CO. Contrary, it is observed that the concomitant hydrogen production rate does not depend on the concentration of CO in the feed. These observations are in good agreement with thermodynamic predictions applying the equation for the Gibbs energy of reaction. On the basis of this conclusion, we anticipate that mass transfer limitations are minimized by the tubular morphology and flow‐through mode of operation. Most importantly, this study shows the necessity of a low CO concentration in the feed, to obtain a high CO2 conversion rate.
An aqueous zinc‐ion battery working at −50°C enabled by low‐concentration perchlorate‐based chaotropic salt electrolyte
Authors: Yang Guoshen , Huang Jialei , Wan Xuhao , Liu Binbin , Zhu Yachao , Wang Jiawei , Fontaine Olivier , Luo Shiqiang , Hiralal Pritesh , Guo Yuzheng , Zhou Hang 
Published: January 2022

AbstractRechargeable aqueous zinc‐ion batteries (ZIBs) have been considered as a promising candidate for the large‐scale energy storage device owing to their low cost and high safety. However, the practical application of aqueous ZIBs at low temperature environment is hindered by the freezing aqueous electrolytes, which leads to a sharp drop in ionic conductivity, and thereby a rapid deterioration of battery performance. Herein, a chaotropic salt electrolyte based on low concentration aqueous Zn(ClO4)2 with superior ionic conductivity under low temperature (4.23 mS/cm at −50°C) is reported. The anti‐freezing methodology introduced here is completely different from conventional freeze‐resistant design of using “water‐in‐salt” electrolyte, cosolvents, or anti‐freezing agent additives strategy. Experimental analysis and molecular dynamics simulations reveal that the as‐prepared Zn(ClO4)2 electrolyte possesses faster ionic migration compared with other commonly used Zn‐based salts (i.e., Zn(CF3SO3)2 and ZnSO4) electrolyte. It is found that Zn(ClO4)2 electrolyte can suppress the ice crystal construction by forming more hydrogen bonds between solute ClO4− and solvent H2O molecules, thus leading to a superior anti‐freezing property. The fabricated ZIBs using this aqueous electrolyte exhibits a dramatically enhanced specific capacity, remarkable rate capability, and great cycling stability over a wide temperature range, from −50 to 25°C. The aqueous ZIBs also exhibit an outstanding energy density of 238.4 Wh/kg without compromising the power density (7.9 kW/kg) under −20°C. Moreover, the assembled aqueous ZIBs can also cycle stably over 1000 cycles at an ultra‐low −50°C. The high‐safety and cost‐effective chaotropic salt electrolyte presented here is a promising strategy for low temperature energy storage application.image
Adjacent channel interference suppression based on spectral extrapolation to enhance electromagnetic compatibility of co‐site radio devices
Authors: Huo Xiaolei , Guo Wenbo , Liu Ying , Zhao Hongzhi , Tang Youxi 
Published: January 2022

AbstractInterference suppression is an effective technique to enhance the electromagnetic compatibility of co‐site radio devices. In adjacent channel interference (ACI) suppression, a wideband analog‐to‐digital converter (ADC) is always required to sample the nonlinear characteristics of the interference signal to reconstruct the ACI, resulting in a significant increase in the cost of the receiver. To solve the problem, this article adopts spectral extrapolation in the ACI suppression. First, narrowband bandpass filter and ADC are employed to sample the in‐band component of the interference signal. Second the original wideband signal is recovered from the filtered signal by an inverse filter. Finally, the recovered signal is used for ACI reconstruction and cancellation. Simulation and experimental results show that when the adjacent channel leakage ratio is 45 dBc, the proposed method can achieve ACI suppression performance equivalent to that of the wideband ADC method. However, the required ADC sampling rate is only 1/3 of that of the wideband ADC.
A new record of bloodstain lichen (Haematomma) from Southern Western Ghats to the Indian biota
Authors: Rajaprabu Nagaraj , Ponmurugan Ponnusamy 
Published: January 2022

AbstractRecent explorations in Megamalai Tiger reserve and Wildlife sanctuary in Tamil Nadu has resulted in the documentation of new bloodstain lichen, Haematomma collatum Haematommone with UV negative taxonomic species. It has been collected for the first time and hence it forms a new record for India. A detailed description of Haematommaceae, Taxonomical keys and Photographs are provided for rapid identification.
Exploring different possibilities for second‐order well‐balanced Lagrange‐projection numerical schemes applied to shallow water Exner equations
Authors: Chalons Christophe , Del Grosso Alessia 
Published: January 2022

AbstractThis work is devoted to the numerical approximation of the shallow water Exner system. We investigate three different numerical strategies to discretize the Exner equation which expresses the evolution in time of the bed sediment. The numerical schemes are all based on the Lagrange‐projection formalism which consists in splitting the mathematical model into the acoustic and transport system. In particular, the Exner equation is taken into account either in the acoustic and transport steps, or only at the acoustic or transport level. The methods and their second‐order extensions are designed in such a way to satisfy the well‐balanced property, namely the “lake at rest” and the “constant bed slope” steady states. Numerical evidences are given to validate the numerical schemes.