Multigene and genomic data sets have become commonplace in the field of phylogenetics, but many existing tools are not designed for such data sets, which often makes the analysis time‐consuming and ...tedious. Here, we present PhyloSuite, a (cross‐platform, open‐source, stand‐alone Python graphical user interface) user‐friendly workflow desktop platform dedicated to streamlining molecular sequence data management and evolutionary phylogenetics studies. It uses a plugin‐based system that integrates several phylogenetic and bioinformatic tools, thereby streamlining the entire procedure, from data acquisition to phylogenetic tree annotation (in combination with iTOL). It has the following features: (a) point‐and‐click and drag‐and‐drop graphical user interface; (b) a workplace to manage and organize molecular sequence data and results of analyses; (c) GenBank entry extraction and comparative statistics; and (d) a phylogenetic workflow with batch processing capability, comprising sequence alignment (mafft and macse), alignment optimization (trimAl, HmmCleaner and Gblocks), data set concatenation, best partitioning scheme and best evolutionary model selection (PartitionFinder and modelfinder), and phylogenetic inference (MrBayes and iq‐tree). PhyloSuite is designed for both beginners and experienced researchers, allowing the former to quick‐start their way into phylogenetic analysis, and the latter to conduct, store and manage their work in a streamlined way, and spend more time investigating scientific questions instead of wasting it on transferring files from one software program to another.
Conventional ion batteries utilizing metallic ions as the single charge carriers are limited by the insufficient abundance of metal resources. Although supercapacitors apply both cations and anions ...to store energy through absorption and/or Faradic reactions occurring at the interfaces of the electrode/electrolyte, the inherent low energy density hinders its application. The graphite‐cathode‐based dual‐ion battery possesses a higher energy density due to its high working potential of nearly 5 V. However, such a battery configuration suffers from severe electrolyte decomposition and exfoliation of the graphite cathode, rendering an inferior cycle life. Herein, a new surface‐modification strategy is developed to protect the graphite cathode from the anion salvation effect and the deposition derived from electrolyte decomposition by generating an artificial solid electrolyte interphase (SEI). Such SEI‐modified graphite exhibits superior cycling stability with 96% capacity retention after 500 cycles under 200 mA g−1 at the upper cutoff voltage of 5.0 V, which is much improved compared with the pristine graphite electrode. Through several ex situ studies, it is revealed that the artificial SEI greatly stabilizes the interfaces of the electrode/electrolyte after reconstruction and gradual establishment of the optimal anion‐transport path. The findings shed light on a new avenue toward promoting the performance of the dual‐ion battery (DIB) and hence to make it practical finally.
An artificial layer of a solid electrolyte interphase is fabricated on a graphite cathode for a dual‐ion battery (DIB). Such surface modification can alleviate the electrolyte decomposition at the high working voltage of the anion de‐/intercalation processes and the solvation effect of anions, much improving the cycling stability of the Li//graphite DIB.
Medicines for the treatment of 2019-novel coronavirus (2019-nCoV) infections are urgently needed. However, drug screening using live 2019-nCoV requires high-level biosafety facilities, which imposes ...an obstacle for those institutions without such facilities or 2019-nCoV. This study aims to repurpose the clinically approved drugs for the treatment of coronavirus disease 2019 (COVID-19) in a 2019-nCoV-related coronavirus model.
A 2019-nCoV-related pangolin coronavirus GX_P2V/pangolin/2017/Guangxi was described. Whether GX_P2V uses angiotensin-converting enzyme 2 (ACE2) as the cell receptor was investigated by using small interfering RNA (siRNA)-mediated silencing of ACE2. The pangolin coronavirus model was used to identify drug candidates for treating 2019-nCoV infection. Two libraries of 2406 clinically approved drugs were screened for their ability to inhibit cytopathic effects on Vero E6 cells by GX_P2V infection. The anti-viral activities and anti-viral mechanisms of potential drugs were further investigated. Viral yields of RNAs and infectious particles were quantified by quantitative real-time polymerase chain reaction (qRT-PCR) and plaque assay, respectively.
The spike protein of coronavirus GX_P2V shares 92.2% amino acid identity with that of 2019-nCoV isolate Wuhan-hu-1, and uses ACE2 as the receptor for infection just like 2019-nCoV. Three drugs, including cepharanthine (CEP), selamectin, and mefloquine hydrochloride, exhibited complete inhibition of cytopathic effects in cell culture at 10 μmol/L. CEP demonstrated the most potent inhibition of GX_P2V infection, with a concentration for 50% of maximal effect EC50 of 0.98 μmol/L. The viral RNA yield in cells treated with 10 μmol/L CEP was 15,393-fold lower than in cells without CEP treatment (6.48 ± 0.02 × 10vs. 1.00 ± 0.12, t = 150.38, P < 0.001) at 72 h post-infection (p.i.). Plaque assays found no production of live viruses in media containing 10 μmol/L CEP at 48 h p.i. Furthermore, we found CEP had potent anti-viral activities against both viral entry (0.46 ± 0.12, vs.1.00 ± 0.37, t = 2.42, P < 0.05) and viral replication (6.18 ± 0.95 × 10vs. 1.00 ± 0.43, t = 3.98, P < 0.05).
Our pangolin coronavirus GX_P2V is a workable model for 2019-nCoV research. CEP, selamectin, and mefloquine hydrochloride are potential drugs for treating 2019-nCoV infection. Our results strongly suggest that CEP is a wide-spectrum inhibitor of pan-betacoronavirus, and further study of CEP for treatment of 2019-nCoV infection is warranted.
Developing nonprecious oxygen evolution electrocatalysts that can work well at large current densities is of primary importance in a viable water‐splitting technology. Herein, a facile ultrafast (5 ...s) synthetic approach is reported that produces a novel, efficient, non‐noble metal oxygen‐evolution nano‐electrocatalyst that is composed of amorphous Ni–Fe bimetallic hydroxide film‐coated, nickel foam (NF)‐supported, Ni3S2 nanosheet arrays. The composite nanomaterial (denoted as Ni‐Fe‐OH@Ni3S2/NF) shows highly efficient electrocatalytic activity toward oxygen evolution reaction (OER) at large current densities, even in the order of 1000 mA cm−2. Ni‐Fe‐OH@Ni3S2/NF also gives an excellent catalytic stability toward OER both in 1 m KOH solution and in 30 wt% KOH solution. Further experimental results indicate that the effective integration of high catalytic reactivity, high structural stability, and high electronic conductivity into a single material system makes Ni‐Fe‐OH@Ni3S2/NF a remarkable catalytic ability for OER at large current densities.
An ultrafast (5 s) synthetic approach that produces a novel, nonprecious oxygen‐evolution electrocatalyst comprising a 3D hierarchical core@shell Ni‐Fe‐OH@Ni3S2 nanostructure supported on nickel foam is presented. The material integrates the structural and catalytic advantages of amorphous Ni–Fe–OH and Ni3S2 nanosheet arrays, possessing an excellent ability to efficiently and stably electrocatalyze the oxygen evolution reaction at large current densities.
•Metal–organic frameworks for electrically-transduced gas sensors are reviewed.•MOF derivatives for electrically-transduced gas sensors are reviewed.•Basic principles of electrically-transduced gas ...sensors are discussed.•Chemiresistors, field-effect transistors, electrochemical gas sensors, chemical diodes, and chemicapacitors are reviewed.•Perspectives on material design, sensor performances, and worthwhile directions are given.
Metal–organic frameworks (MOFs) and the MOF derived materials are porous solid materials with broad application prospect. As for electrically-transduced gas sensors, the application barrier of the signal transducer has been overcome by development in fields of conductive MOFs, the MOF based composites, dynamic MOFs, and/or the MOF derived materials. Currently, it is moving towards a critical development stage from usability to ease of use, of which great challenge remains unsolved. To address this issue, we give our perspective on the basic principles, material design, sensor performances, and worthwhile directions based on recently published works, focusing on five primary types of electrically-transduced gas sensors (chemiresistors, field-effect transistors (FETs), electrochemical gas sensors, chemical diodes, and chemicapacitors).
A nonsymmetric salamo-like ligand (H2L, 5-(N,N′-diethylamino)-2,2′-ethylenedioxybis(nitrilomethylidyne)phenolnaphthol) has been synthesized, and its two homotrinuclear complexes ...{Zn3(L)2(μ-OAc)2}2·5EtOH and Ni3(L)2(μ-OAc)2(MeOH)2·2MeOH and single crystals of the ligand have been successfully synthesized and characterized structurally. Molecular electrostatic potential analysis, interaction region indicator analysis, Hirshfeld surfaces analyses, DFT calculations and fluorescent properties of the Zn(Ⅱ) and Ni(Ⅱ) complexes were also studied.
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•Single crystals of H2L and its Zn(II) and Ni(II) complexes have been determined.•The Zn(II) complex possesses two crystallographically and chemically identical trinuclear clusters.•Experimental and theoretical investigation of the Zn(II) and Ni(II) complexes were performed.
Neutral homotrinuclear complexes {Zn3(L)2(μ-OAc)2}2·5EtOH and Ni3(L)2(μ-OAc)2(MeOH)2·2MeOH were obtained in the reactions of a new non-symmetric salamo-like ligand H2L (5-(N,N′-diethylamino)-2,2′-ethylenedioxybis(nitrilomethylidyne)phenolnaphthol) with the respective salts of M(OAc)2·2H2O (M = Zn(II) and Ni(II)), respectively. Single crystals of the ligand were also obtained. All the Zn(Ⅱ) and Ni(Ⅱ) complexes were structurally characterized by single crystal X-ray diffraction. Both Zn(Ⅱ) and Ni(Ⅱ) complexes are composed of two (L)2− units combined with three metal(Ⅱ) ions, where a pair of μ-OAc− ions bridging Zn1⋯Zn2 and Zn2⋯Zn3 or Ni1⋯Ni2 and Ni2⋯Ni1#1 neutralize the charge of the Zn(II) and Ni(II) complexes and stabilize the trinuclear structure. The two μ-OAc− ions are located on the same side of the Zn(Ⅱ) complex, while on different sides of the Ni(Ⅱ) complex. In addition, there are two methanol molecules in the Ni(Ⅱ) complex involved in the coordination. UV–vis absorption spectral analyses showed that the ligand (L)2− units have coordinated with Zn(Ⅱ) and Ni(Ⅱ) atoms. DFT calculations exhibited that the Zn(II) and Ni(II) complexes have higher kinetic stability and lower chemical reactivity. Fluorescence spectrum analyses indicated that the electrons of the ligand have transferred to the empty orbitals (LMCT) of the Zn(Ⅱ) and Ni(Ⅱ) atoms. Furthermore, to discern the interactions in the crystal structures, Hirshfeld surfaces analyses were evaluated. Molecular electrostatic potentials were calculated in order to find electrophilic and nucleophilic sites favorable for hydrogen bonds.
Ca2+, a ubiquitous but nuanced modulator of cellular physiology, is meticulously controlled intracellularly. However, intracellular Ca2+ regulation, such as mitochondrial Ca2+ buffering capacity, can ...be disrupted by 1O2. Thus, the intracellular Ca2+ overload, which is recognized as one of the important cell pro‐death factors, can be logically achieved by the synergism of 1O2 with exogenous Ca2+ delivery. Reported herein is a nanoscale covalent organic framework (NCOF)‐based nanoagent, namely CaCO3@COF‐BODIPY‐2I@GAG (4), which is embedded with CaCO3 nanoparticle (NP) and surface‐decorated with BODIPY‐2I as photosensitizer (PS) and glycosaminoglycan (GAG) targeting agent for CD44 receptors on digestive tract tumor cells. Under illumination, the light‐triggered 1O2 not only kills the tumor cells directly, but also leads to their mitochondrial dysfunction and Ca2+ overload. An enhanced antitumor efficiency is achieved via photodynamic therapy (PDT) and Ca2+ overload synergistic therapy.
A multifunctional COF‐based nanoagent, which is equipped with BODIPY‐2I photosensitizer, CaCO3 nanoparticle, and glycosaminoglycan (GAG) targeting agent, can be a highly efficient and selective antitumor nanomedicine for colon tumor via photodynamic therapy (PDT) and Ca2+ overload synergistic therapy.
Chemodynamic therapy (CDT), which induces cell death by decomposing high levels of H2O2 in tumor cells into highly toxic ·OH, is recognized as a promising antineoplastic approach. However, current ...CDT approaches are often restricted by the highly controlled and upregulated cellular antioxidant defense. To enhance ·OH‐induced cellular damage by CDT, a covalent organic framework (COF)‐based, ferrocene (Fc)‐ and glutathione peroxidase 4 (GPX4) inhibitor‐loaded nanodrug, RSL3@COF–Fc (2b), is fabricated. The obtained 2b not only promotes in situ Fenton‐like reactions to trigger ·OH production in cells, but also attenuates the repair mechanisms under oxidative stress via irreversible covalent GPX4 inhibition. As a result, these two approaches synergistically result in massive lipid peroxide accumulation, subsequent cell damage, and ultimately ferroptosis, while not being limited by intracellular glutathione. It is believed that this research provides a paradigm for enhancing reactive oxygen species‐mediated oncotherapy through redox dyshomeostasis and may provide new insights for developing COF‐based nanomedicine.
Versatile covalent organic frameworks (COFs)! The organic nanodrug RSL3@COF–Fc (2b), which integrates the glutathione peroxidase 4 inhibitor RSL3 and Fenton‐like reaction catalyst ferrocene (Fc) into a nanoscale COF, induces ferroptosis to enhance chemodynamic therapy by blocking lipid repair and disrupting cellular redox homeostasis.
Approaches to safely and effectively augment cellular functions without compromising the inherent biological properties of the cells, especially through the integration of biologically labile ...domains, remain of great interest. Here, a versatile strategy to assemble biologically active nanocomplexes, including proteins, DNA, mRNA, and even viral carriers, on cellular surfaces to generate a cell‐based hybrid system referred to as “Cellnex” is established. This strategy can be used to engineer a wide range of cell types used in adoptive cell transfers, including erythrocytes, macrophages, NK cells, T cells, etc. Erythrocytenex can enhance the delivery of cargo proteins to the lungs in vivo by 11‐fold as compared to the free cargo counterpart. Biomimetic microfluidic experiments and modeling provided detailed insights into the targeting mechanism. In addition, Macrophagenex is capable of enhancing the therapeutic efficiency of anti‐PD‐L1 checkpoint inhibitors in vivo. This simple and adaptable approach may offer a platform for the rapid generation of complex cellular systems.
A simple, adaptable, polyphenol‐based molecular engineering platform “Cellnex” is reported as a rapid and efficient approach to functionalize cell surfaces with biomolecules. This platform enables the customized engineering of a wide range of mammalian cells with diverse classes of biomolecules. Cells engineered with this approach are capable of achieving targeted biomolecule delivery and improving the biological outcomes of respective biomolecules.
Little is known about the epidemiologic features of syndactyly (SD) in Chinese newborns.
Using 2007-2019 data from the Chinese Birth Defects Monitoring Network, we conducted a prevalence analysis on ...overall, isolated and associated syndactyly according to birth year, maternal age, maternal residence, geographic region and infant sex, with special interests in time trends, perinatal outcomes and clinical phenotypes.
A total of 13,611 SD cases were identified among 24,157,719 births in the study period, yielding the prevalence of 5.63, 4.66 and 0.97 per 10,000 for overall, isolated, and associated SD, respectively. The prevalence of each type of SD exhibited an upward trend over the period. The prevalence of overall SD varied significantly by maternal residence (urban vs. rural, 6.69/10,000 vs. 4.35/10,000), maternal age (< 20 years, 5.43/10,000; 20-24 years, 5.03/10,000; 25-29 year, 5.65/10,000; 30-34 years, 6.07/10,000; ≥ 35 years, 5.76/10,000), geographic region (central, 5.07/10,000; east, 6.75/10,000; west, 5.12/10,000), and infant sex (male vs. female, 6.28/10,000 vs. 4.86/10,000). Newborns with associated SD were more likely to be born prematurely (29.2% vs. 10.6%) or with low birthweight (30.5% vs.9.8%) than those with isolated SD. The bilaterally, and unilaterally affected cases accounted for 18.4% and 76.7%, respectively. The feet were more frequently involved (64.3%) in those bilaterally affected cases, while right side preference (right vs left: 53.8% vs 46.2%) and upper limbs preference (hand vs foot: 50.8% vs 48.0%) were found in unilateral cases.
The prevalence of syndactyly in China is on the rise and notably higher than that in other Asian and European countries, highlighting the importance of investigating the etiology, epidemiology, and clinical implications of this condition in the Chinese population.
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