bluuebunny/crossref_metadata_2025 huggingface dataset:
Lactobacillus crispatus thrives in pregnancy hormonal milieu in a Nigerian patient cohort
Authors: Odogwu Nkechi Martina , Onebunne Chinedum Amara , Chen Jun , Ayeni Funmilola A. , Walther-Antonio Marina R. S. , Olayemi Oladapo O. , Chia Nicholas , Omigbodun Akinyinka O.
Published: September 2021

Steroid hormones are one of the presumed modulators ofLactobacillusabundance in the vaginal epithelium. We set out to characterize the vaginal microbiome (VMB) and also provide an in-depth understanding of the relative contribution of estradiol (E2) and progesterone (P1) in shaping the vaginal microbiome of Nigerian women (n = 38) who experienced both uncomplicated term delivery and preterm delivery using samples longitudinally collected during pregnancy (17–21, 27–31, 36–41 weeks gestation) and 6 weeks postpartum. Vaginal swabs and blood samples were aseptically collected. Vaginal swabs were used for microbiome assessment using 16S ribosomal RNA (rRNA) gene sequencing. Blood samples were used for hormonal measurement using a competitive-based enzyme-linked immunosorbent assay (ELISA). Across several maternal covariates, maternal age, pregnancy status and delivery mode were not significantly associated with the vaginal microbiota whereas maternal E2 level (pE2 = 0.006, Omnibus), and P1 level (pP1 = 0.001, Omnibus) were significantly associated with the vaginal microbiome. E2 and P1 concentrations increased throughout pregnancy commensurately with increasing proportions ofL. crispatus(pE2 = 0.036, pP1 = 0.034, Linear Mixed Model). An increasing trend of α-diversity was also observed as pregnancy progressed (pobserved ASV = 0.006, LMM). A compositional microbiome shift fromLactobacillusprofile to non-Lactobacillusprofile was observed in most postnatal women (pCST IV < 0.001, LMM). Analysis of our data shows a species-specific link between pregnancy steroid hormone concentration andL. crispatusabundance.
Paraquat-induced cholesterol biosynthesis proteins dysregulation in human brain microvascular endothelial cells
Authors: Tatjana Vujić , Domitille Schvartz , Jean-Charles Sanchez
Published: September 2021

Despite Paraquat (PQ) being banned in several countries, it is still one of the most commonly used herbicides in agriculture. This compound is known to induce damaging effects on human and animal brain cells by generating Reactive Oxygen Species (ROS). However, there is few evidence of PQ effect on Human Brain Microvascular Endothelial Cells (HBMECs), one of the major component of the Blood–Brain Barrier (BBB). The present study aimed at unraveling biological mechanisms associated to the exposure of 1, 10 and 100 µM of PQ for 24 h on HBMECs. High-throughput mass spectrometry-based proteomics using data-independent acquisition (DIA) was applied. Biological pathway enrichment and cellular assays such as mitochondrial respiration and cholesterol level were performed to verify proteomics results. A total of 3753 proteins were quantified out of which 419 were significantly modulated by paraquat exposure. Biological pathway enrichment revealed the ubiquinone metabolism, a pathway directly linked to mitochondrial complex I proteins, confirming the well-known mechanism of PQ inducing oxidative stress. Additionally, this study also described the cholesterol biosynthesis modulation on HBMECs not yet described. In conclusion, our data indicate the toxic effect of PQ on HBMECs by downregulating proteins involved in mitochondrial complex I and cholesterol pathways.
Evaluation of graphene/crosslinked polyethylene for potential high voltage direct current cable insulation applications
Authors: Li Yuan , Zhu Guangya , Zhou Kai , Meng Pengfei , Wang Guodong
Published: September 2021

This paper evaluates the potential usage of graphene/crosslinked polyethylene (graphene/XLPE) as the insulating material for high voltage direct current (HVDC) cables. Thermal, mechanical and electrical properties of blends with/without graphene were evaluated by differential scanning calorimetry (DSC), tensile strength, DC conductivity, space charge measurements and water tree aging test. The results indicate that 0.007–0.008% weight amount of graphene can improve the mechanical and electrical insulation properties of XLPE blends, namely higher tensile/yield strength, improved space charge distribution, and shorter/fewer water tree branches. The improvements mainly attribute to the high stiffness of graphene, deep traps introduced by the interaction zones of graphene and XLPE, and the blockage effect of graphene within XLPE. For thermal performance of XLPE blends, graphene nano-fillers have but limited improvement. The crystallinity of the blends barely changes with the addition of graphene. However, the crosslinking degree increases as the additive-like amounts of graphene doped. The above findings provide a guide for tailoring lightweight XLPE materials with excellent mechanical and electrical performances by doping them with a small amount of graphene.
Itaconic acid exerts anti-inflammatory and antibacterial effects via promoting pentose phosphate pathway to produce ROS
Authors: Zhu Xiaoyang , Guo Yangyang , Liu Zhigang , Yang Jingyi , Tang Huiru , Wang Yulan
Published: September 2021

Itaconic acid is produced by immune responsive gene 1 (IRG1)-coded enzyme in activated macrophages and known to play an important role in metabolism and immunity. In this study, mechanism of itaconic acid functioning as an anti-inflammatory metabolite was investigated with molecular biology and immunology techniques, by employing IRG1-null (prepared with CRISPR) and wild-type macrophages. Experimental results showed that itaconic acid significantly promoted the pentose phosphate pathway (PPP), which subsequently led to significantly higher NADPH oxidase activity and more reactive oxygen species (ROS) production. ROS production increased the expression of anti-inflammatory gene A20, which in turn decreased the production of inflammatory cytokines IL-6, IL-1β and TNF-α. NF-κB, which can up-regulate A20, was also vital in controlling IRG1 and itaconic acid involved immune-modulatory responses in LPS-stimulated macrophage in this study. In addition, itaconic acid inhibited the growth of Salmonella typhimurium in cell through increasing ROS production from NADPH oxidase and the hatching of Schistosoma japonicum eggs in vitro. In short, this study revealed an alternative mechanism by which itaconic acid acts as an anti-inflammatory metabolite and confirmed the inhibition of bacterial pathogens with itaconic acid via ROS in cell. These findings provide the basic knowledge for future biological applications of itaconic acid in anti-inflammation and related pathogens control.
Flexural band gaps and vibration control of a periodic railway track
Authors: Iqbal Mohd , Kumar Anil , Murugan Jaya Mahesh , Bursi Oreste Salvatore
Published: September 2021

Periodic structures exhibit unique band gap characteristics by virtue of which they behave as vibro-acoustic filters thereby allowing only waves within a certain frequency range to pass through. In this paper, lateral and vertical flexural wave propagation and vibration control of a railway track periodically supported on rigid sleepers using fastenings are studied in depth. The dispersion relations in both lateral and vertical directions are obtained using the Floquet-Bloch theorem and the resulting dispersion curves are verified using finite element models. Afterwards, tuned mass dampers (TMDs) with different mass ratios are designed to control vibrations of the examined rail in both the directions. Moreover, the influence of damping of rail and resonators on band gap characteristics is investigated. As a replacement to the conventional TMD, a novel possibility to control vibration relies on using another existing rail as a lateral distributed resonator (LDR). Although the effectiveness of LDR is lower than that of localized resonators, the former represents a simple and promising way to control vibrations. Efficacy of the proposed control methods is finally verified by applying a random Gaussian white noise input. The study presented here is useful to understand the propagation and attenuation behavior of flexural waves and to develop efficient and novel vibration control strategies for track structures.
Efficient biallelic knock-in in mouse embryonic stem cells by in vivo-linearization of donor and transient inhibition of DNA polymerase θ/DNA-PK
Authors: Arai Daisuke , Nakao Yoichi
Published: September 2021

CRISPR/Cas9-mediated homology-directed repair (HDR) is used for error-free targeted knock-in of foreign donor DNA. However, the low efficiency of HDR-mediated knock-in hinders establishment of knock-in clones. Double-strand breaks (DSBs) induced by CRISPR/Cas9 are preferentially repaired by non-homologous end joining (NHEJ) or microhomology-mediated end joining (MMEJ) before HDR can occur, thereby preventing HDR-mediated knock-in. NHEJ/MMEJ also cause random integrations, which give rise to false-positive knock-in events, or silently disrupt the genome. In this study, we optimized an HDR-mediated knock-in method for mouse embryonic stem cells (mESCs). We succeeded in improving efficiency of HDR-mediated knock-in of a plasmid donor while almost completely suppressing NHEJ/MMEJ-based integration by combining in vivo-linearization of the donor plasmid, transient knockdown of DNA polymerase θ, and chemical inhibition of DNA-dependent protein kinase (DNA-PK) by M3814. This method also dramatically improved the efficiency of biallelic knock-in; at theRosa26alocus, 95% of HDR-mediated knock-in clones were biallelic. We designate this method BiPoD (Biallelic knock-in assisted byPol θ andDNA-PK inhibition). BiPoD achieved simultaneous efficient biallelic knock-in into two loci. BiPoD, therefore, enables rapid and easy establishment of biallelic knock-in mESC lines.
Thermosensitive collagen/fibrinogen gels loaded with decorin suppress lesion site cavitation and promote functional recovery after spinal cord injury
Authors: Matthews Jacob , Surey Sarina , Grover Liam M. , Logan Ann , Ahmed Zubair
Published: September 2021

The treatment of spinal cord injury (SCI) is a complex challenge in regenerative medicine, complicated by the low intrinsic capacity of CNS neurons to regenerate their axons and the heterogeneity in size, shape and extent of human injuries. For example, some contusion injuries do not compromise the dura mater and in such cases implantation of preformed scaffolds or drug delivery systems may cause further damage. Injectable in situ thermosensitive scaffolds are therefore a less invasive alternative. In this study, we report the development of a novel, flowable, thermosensitive, injectable drug delivery system comprising bovine collagen (BC) and fibrinogen (FB) that forms a solid BC/FB gel (Gel) immediately upon exposure to physiological conditions and can be used to deliver reparative drugs, such as the naturally occurring anti-inflammatory, anti-scarring agent Decorin, into adult rat spinal cord lesion sites. In dorsal column lesions of adult rats treated with the Gel + Decorin, cavitation was completely suppressed and instead lesion sites became filled with injury-responsive cells and extracellular matrix materials, including collagen and laminin. Decorin increased the intrinsic potential of dorsal root ganglion neurons (DRGN) by increasing their expression of regeneration associated genes (RAGs), enhanced local axon regeneration/sprouting, as evidenced both histologically and by improved electrophysiological, locomotor and sensory function recovery. These results suggest that this drug formulated, injectable hydrogel has the potential to be further studied and translated into the clinic.
Interrogating the haemodynamic effects of haemodialysis arteriovenous fistula on cardiac structure and function
Authors: Stoumpos Sokratis , Rankin Alastair , Hall Barrientos Pauline , Mangion Kenneth , McGregor Ellon , Thomson Peter C. , Stevenson Karen , Welsh Paul , Kasthuri Ram , Kingsmore David B. , Roditi Giles , Mark Patrick B.
Published: September 2021

Arteriovenous fistula (AVF) is the preferred type of vascular access for maintenance haemodialysis but it may contribute to maladaptive cardiovascular remodelling. We studied the effect of AVF creation on cardiac structure and function in patients with chronic kidney disease (CKD). In this prospective cohort study patients with CKD listed for first AVF creation underwent cardiac magnetic resonance (CMR) imaging at baseline and at 6 weeks. All participants had ultrasound measurements of fistula blood flow at 6 weeks. The primary outcome was the change in left ventricular (LV) mass. Secondary outcomes included changes in LV volumes, LV ejection fraction, cardiac output, LV global longitudinal strain and N-terminal-pro B-type natriuretic peptide (NT-proBNP). A total of 55 participants were enrolled, of whom 40 (mean age 59 years) had AVF creation and completed both scans. On the second CMR scan, a mean increase of 7.4 g (95% CI 1.1–13.7, p = 0.02) was observed in LV mass. Significant increases in LV end-diastolic volumes (p = 0.04) and cardiac output (p = 0.02) were also seen after AVF creation. No significant changes were observed in LV end-systolic volumes, LV ejection fraction, NT-proBNP and LV global longitudinal strain. In participants with fistula blood flows ≥ 600 mL/min (n = 22) the mean increase in LV mass was 15.5 g (95% CI 7.3–23.8) compared with a small decrease of 2.5 g (95% CI − 10.6 to 5.6) in participants with blood flows < 600 mL/min (n = 18). Creation of AVF for haemodialysis resulted in a significant increase of LV myocardial mass within weeks after surgery, which was proportional to the fistula flow.
Detection of organophosphorus pesticides: exploring oxime as a probe with improved sensitivity by CeO2-modified electrode
Authors: Sun Qiu , Du Jiyu , Tian Li , Wu Jianfeng , Zhang Xuelin
Published: September 2021

In this work, an oxime-based electrochemical sensor was prepared to achieve a sensitive and convenient determination of non-electroactive OPs by using the catalytic effect of CeO2 toward oxime oxidation.
Design and construction of a hydrophilic coating on macroporous adsorbent resins for enrichment of glycopeptides
Authors: Gao Zheng , Tang Ruizhi , Ma Shujuan , Jia Shicong , Zhang Shuai , Gong Bolin , Ou Junjie
Published: September 2021

Although macroporous adsorbent resins (MARs) have been commercialized and widely applied in industrial and life fields, it is still of necessity to develop simple approaches to functionalize MARs.
B–N bond formation through palladium-catalyzed, microwave-assisted cross-coupling of nitrogen compounds with iodo-dodecaborate
Authors: Al-Joumhawy Mahmoud K. , Marei Tarek , Shmalko Akim , Cendoya Paula , La Borde Jair , Gabel Detlef
Published: September 2021

A method is described which allows the synthesis of nitrogen-substituted hydridododecaborate clusters through Pd-catalyzed cross-coupling.
Ozonolysis of α-angelica lactone: a renewable route to malonates
Authors: Dell’Acqua Andrea , Wille Lukas , Stadler Bernhard M. , Tin Sergey , de Vries Johannes G.
Published: September 2021

α-Angelica lactone, derived from the platform chemical Levulinic acid, can be efficiently converted into malonic acid derivatives and 3-oxopropionate acetals by ozonolysis.
Synthesis of axially chiral biaryl thioglycosides through thiosugar-directed Pd-catalyzed asymmetric C–H activation
Authors: Fatthalla Maha , Grimblat Nicolas , Brachet Etienne , Alami Mouad , Gandon Vincent , Le Bideau Franck , Messaoudi Samir
Published: September 2021

An atroposelective Fujiwara–Moritani reaction towards the synthesis of alkenylthioglycoside is reported. β-thioglucose moiety is used both as a directing group for the C–H bond activation and as a chiral source inducing axial chirality.
Acid-catalyzed cleavage of C–C bonds enables atropaldehyde acetals as masked C2 electrophiles for organic synthesis
Authors: Chen Shaomin , Li Minghao , Gu Yanlong
Published: September 2021

Atropaldehyde acetals acted as masked C2 electrophiles via a novel cleavage of C–C bonds that allowed us to establish novel tandem reactions for the rapid synthesis of 2,2-disubstituted indolin-3-ones, naphthofurans and stilbenes.
Photocatalytic functionalizations of alkynes
Authors: Chalotra Neha , Kumar Jaswant , Naqvi Tahira , Shah Bhahwal Ali
Published: September 2021

Visible light mediated functionalizations have significantly expanded the scope of alkynes by unraveling new mechanistic pathways and enabling their transformation to diverse structural entities.
Synthesis of morphology controlled PtAu@Ag nanorings through concentric and eccentric growth pathways
Authors: Lee Junghwa , Lee Sungwoo , Kim Jeongwon , Yoo Sungjae , Lee Soohyun , Son Jiwoong , Hilal Hajir , Go Sungeun , Lee Jaewon , Nam Jwa-Min , Park Sungho
Published: September 2021

We report the synthetic pathway (concentric and eccentric growth) for Ag on PtAu nanorings to synthesize morphology-controlled Ag nanorings.
A ring of grids: a giant spin-crossover cluster
Authors: Shiga Takuya , Tachibana Minami , Sagayama Hajime , Kumai Reiji , Newton Graham N. , Oshio Hiroki , Nihei Masayuki
Published: September 2021

Mononuclear and icosanuclear spin-crossover complexes, [Fe] and [Fe20], were synthesized. [Fe] has a bis-chelate structure, while [Fe20] has a ring-shape structure comprising four [2 × 2] grid moieties and four mononuclear units.
Layered supramolecular network of cyclodextrin triplets with azobenzene-grafting polyoxometalate for dye degradation and partner-enhancement
Authors: Gao Bo , Li Bao , Wu Lixin
Published: September 2021

A layered network supramolecular assembly is constructed by a tri-β-cyclodextrin-armed host and di-azobenzene-decorated polyoxometalate guest for degradation of selective dyes and partner-joined acceleration in water and dichloromethane in air.
A new computational strategy to calculate the edge energy of a relaxed step. Calcite (CaCO3) as a case study
Authors: Bruno M. , Aquilano D.
Published: September 2021

We propose a new computational strategy to calculate the edge energy of any [uvw] step on any (hkl) crystal face.
Net-stacked hierarchical CdOHF architectures: controllable synthesis and visible-light driven photocatalytic performance
Authors: Guo Yingying , Wang Chi , Cui Huihui , Wang Miao , Sun Tongming , Tang Yanfeng
Published: September 2021

Net-stacked hierarchical CdOHF architectures were controllably synthesized, and exhibited high efficiency and selectivity for degrading the cationic dye malachite green (MG) under visible light irradiation.
Computational investigation of the binding of a designed peptide to λ light chain amyloid fibril
Authors: Wang Zhenyu , Huang Wanying , Liu Manjun , Kennel Stephen J , Wall Jonathan S , Cheng Xiaolin
Published: September 2021

Peptide P62 only binds to the canonical interface of the amyloid fibril. Lysine residues of P62 play an important role in the binding process by forming initial contacts with aspartic acids on the fibril surface.
Theoretical study of the Cl(2P) + SiH4 reaction: global potential energy surface and product pair-correlated distributions. Comparison with experiment
Authors: Espinosa-Garcia J. , Corchado J. C.
Published: September 2021

For the theoretical study of the title reaction, an analytical full-dimensional potential energy surface named PES-2021 was developed for the first time, by fitting high-level explicitly-correlated ab initio data.
Isolating key reaction energetics and thermodynamic properties during hardwood model lignin pyrolysis
Authors: Azad Tanzina , Torres Hazl F. , Auad Maria L. , Elder Thomas , Adamczyk Andrew J.
Published: September 2021

A theoretical study on reaction energetics to better understand the pyrolysis behavior of lignin-derived from hardwood.
Polymorphism of chitosan-based networks stabilized by phytate investigated by molecular dynamics simulations
Authors: Visan Raluca M. , Leonties Anca R. , Aricov Ludmila , Chihaia Viorel , Angelescu Daniel G.
Published: September 2021

Phytate anion connecting two, three and four chitosan chains.
Concentration effects on the self-assembly of tyrosine molecules
Authors: Ahmadabadi Hajar Nili , Masoudi Amir Ali , Uyaver Sahin
Published: September 2021

Self-assembly responses of tyrosine molecules to concentration changes.
Blockade of the checkpoint PD-1 by its ligand PD-L1 and the immuno-oncological drugs pembrolizumab and nivolumab
Authors: Tavares Ana Beatriz M. L. A. , Lima Neto J. X. , Fulco U. L. , Albuquerque E. L.
Published: September 2021

Superposition of the crystallographic structures of the receptor PD-1 in complex with the natural ligand PD-L1, as well as to the monoclonal antibodies pembrolizumab and nivolumab.
Statistical mechanical determination of nanocluster size distributions in the phase coexistence region of a first order phase transition from the isotherms of DMPC monolayers at the air–water interface
Authors: Hatta E. , Nihei K.
Published: September 2021

A statistical mechanical deconvolution procedure for the measured surface pressure–area isotherms has been presented to obtain nanocluster size distributions in the LE–LC phase coexistence region of DMPC monolayers at the air–water interface.
Structural and electronic analysis of the octarepeat region of prion protein with four Cu2+ by polarizable MD and QM/MM simulations
Authors: Nochebuena Jorge , Quintanar Liliana , Vela Alberto , Cisneros G. Andrés
Published: September 2021

Prions have been linked to neurodegenerative diseases that affect various species of mammals including humans.
Questioning the orbital picture of magnetic spin coupling: a real space alternative
Authors: Martín Pendás A. , Francisco E.
Published: September 2021

The prevailing magnetic spin coupling paradigm is based on a one-electron picture, and is therefore orbital dependent and unsatisfactory from a physical point of view.
First-principles analysis of the optical properties of lead halide perovskite solution precursors
Authors: Procida Giovanni , Schier Richard , Valencia Ana M. , Cocchi Caterina
Published: September 2021

The fundamental quantum-mechanical interactions between lead-halide backbones and solvent molecules ruling the optical response of perovskite solution precursors are disclosed.
Van der Waals heterostructure of graphene and germanane: tuning the ohmic contact by electrostatic gating and mechanical strain
Authors: Bafekry A. , Karbasizadeh S. , Faraji M. , Bagheri Khatibani A. , Sarsari I. Abdolhosseini , Gogova D. , Ghergherehchi M.
Published: September 2021

The structural and electronic properties of the van der Waals GeH/Graphene heterostructure are investigated. This interface shows a n-type Ohmic. The effects of interlayer distances, strain, and electric field on the interface have been studied.
Microfluidic encapsulation for controlled release and its potential for nanofertilisers
Authors: Le Tu Nguyen Quang , Tran Nam Nghiep , Escribà-Gelonch Marc , Serra Christophe A. , Fisk Ian , McClements David Julian , Hessel Volker
Published: September 2021

Nanotechnology is increasingly being utilized to create advanced materials with improved or new functional attributes.
A safe and efficient synthetic method for alkali metal octahydrotriborates, unravelling a general mechanism for constructing the delta B3 unit of polyhedral boranes
Authors: Chen Xuenian , Liu Xin-Ran , Wang Xinghua , Chen Xi-Meng , Jing Yi , Wei Donghui
Published: September 2021

An efficient synthetic method for KB3H8 has been developed and general mechanisms of formation of the B3H8− anion have been elucidated.
A sextuple-decker heteroleptic phthalocyanine heterometallic samarium–cadmium complex with crystal structure and nonlinear optical properties in solution and gel glass
Authors: Liu Chao , Yang Wei , Wang Jingjing , Ding Xu , Ren Huimin , Chen Yuxiang , Xie Zheng , Sun Tingting , Jiang Jianzhuang
Published: September 2021

Sextuple-decker heteroleptic phthalocyanine, whose single crystal structure has been clearly characterized, exhibits excellent nonlinear optical properties of the solution and gel glass.
Nanostructured carbon-fiber surfaces for improved neurochemical detection
Authors: Syeed Ayah J. , Li Yuxin , Ostertag Blaise J. , Brown Jared W. , Ross Ashley E.
Published: September 2021

Increasing the surface roughness of carbon-fiber microelectrodes with argon-plasma treatment, while leaving the surface functional groups unchanged, significantly impacts detection of neurochemicals with fast-scan cyclic voltammetry.
Sustainable fabrication of ultralong Pb(OH)Br nanowires and their conversion to luminescent CH3NH3PbBr3 nanowires
Authors: Wang Weijian , Yu Yangchun , Attique Sanam , Hou Jiahui , Jun Fangying , Xie Yiquan , Mao Lebao , Yu Xiaoqing , Zhang Xiuhua , Wang Shengfu , Wu Chongchong , Cao Bingqiang , Yang Shikuan
Published: September 2021

Ultralong Pb(OH)Br nanowires can be spontaneously prepared in a pure aqueous solution and then transformed into perovskites with shape preservation.
Controlled phase synthesis of VmOn in differing oxidation states using a simplified formic acid process, quantified with a new generalized index designed for use with public domain material process information
Authors: Devi Henam Sylvia , Mishra Akshita , Reza Md Samim , Akhtar Parvez , Singh Henam Premananda , Singh Thiyam David , Singh Madhusudan
Published: September 2021

This work reports a simplified low-cost environmentally benign synthetic process for the production of pure or nearly pure phase vanadium oxides in three different oxidation states, and quantifies the sustainability of the process with a green index.
Review: tomographic imaging flow cytometry
Authors: Kleiber Andreas , Kraus Daniel , Henkel Thomas , Fritzsche Wolfgang
Published: September 2021

Within the last decades, conventional flow cytometry (FC) has evolved as a powerful measurement method in clinical diagnostics, biology, life sciences and healthcare.
Fabrication of an autonomously self-healing flexible thin-film capacitor by slot-die coating
Authors: Vu Susanna , Nagesh Gnanesh , Yousefi Nastaran , Trant John F. , Ting David S.-K. , Ahamed M. Jalal , Rondeau-Gagné Simon
Published: September 2021

Flexible self-healing pressure sensors were prepared by slot-die onto a flexible substrate, and were characterized using multiple tools to investigate their response to mechanical deformation and their properties before and after self-healing.
Efficient and reproducible synthesis of an Fmoc-protected Tn antigen
Authors: Piazza Sabrina M. , Reynolds Michael R. , Chiaramonte Jonathan , Xu Peihan , Chapa-Villarreal Fabiola A. , Trant John F.
Published: September 2021

Glycoconjugate ready for solid-phase-peptide synthesis is scalably accessible using a palladium-mediated glycosylation.
Design, synthesis, molecular docking and ADME studies of novel indole-thiazolidinedione derivatives and their antineoplastic activity as CDK6 inhibitors
Authors: Ates-Alagoz Zeynep , Kisla Mehmet Murat , Karadayi Fikriye Zengin , Baran Sercan , Doğan Tuğba Somay , Mutlu Pelin
Published: September 2021

Several indole-thiazolidinedione derivatives (9–24) were designed and synthesized as CDK6 inhibitors, and their anticancer activity was probed on the MCF-7 cell line and the effects on gene expression profiles were elucidated.
Novel cost-effective synthesis of non-doped turbostratic graphene from a graphite intercalation compound: development of a durable and stable electrocatalyst for the oxygen reduction reaction
Authors: Haridas Vijayasree , Yaakob Zahira , Sugunan Sankaran , Narayanan Binitha N.
Published: September 2021

A cost-effective novel preparation of turbostratic graphene and its efficient use as an electrocatalyst for the oxygen reduction reaction is presented here.
Zwitterionic polymer-derived nitrogen and sulfur co-doped carbon-coated Na3V2(PO4)2F3 as a cathode material for sodium ion battery energy storage
Authors: Lu Tianyi , Yu Xiaobo , Li Xiaokai , Qi Jiawei , Huang Shu , Man Zu , Zhuo Haitao
Published: September 2021

A zwitterionic polymer is used as a new nitrogen and sulfur source to synthesize N, S co-doped carbon-coated Na3V2(PO4)2F3 (NVPF-NSC) and was found to exhibit high specific discharge capacity and excellent cycle performance.
Tunable Schottky barrier height of a Pt–CuO junction via a triboelectric nanogenerator
Authors: Meng Jianping , Li Qi , Huang Jing , Li Zhou
Published: September 2021

This graphic provides a schematic diagram of the diffusion of ionized oxygen vacancies after impact by the output voltage of a TENG.
Forest waste to clean water: natural leaf-guar-derived solar desalinator
Authors: Caratenuto Andrew , Aljwirah Abdulrahman , Tian Yanpei , Liu Xiaojie , Wan Yinsheng , Zheng Yi
Published: September 2021

A new natural material made from fallen tree leaves is demonstrated as a highly efficient solar evaporation device. With a low cost and simple fabrication, this material is poised to help mitigate both water scarcity and waste mismanagement crises.
Ferroelectric transistors with asymmetric double gate for memory window exceeding 12 V and disturb-free read
Authors: Mulaosmanovic Halid , Kleimaier Dominik , Dünkel Stefan , Beyer Sven , Mikolajick Thomas , Slesazeck Stefan
Published: September 2021

The asymmetric double-gate hafnium oxide based ferroelectric field-effect transistor displays a memory window exceeding 12 V and multi-level storage of 4 bit per cell with a disturb-free read.
Control of RNA with quinone methide reversible acylating reagents
Authors: Park Hyun Shin , Jash Biswarup , Xiao Lu , Jun Yong Woong , Kool Eric T.
Published: September 2021

Reversible quinone methide acylating reagents are designed for the rapid control of RNAs (e.g. mRNA) in vitro and in cells.
Gradient copolymer prepared from alternating ring-opening metathesis of three monomers
Authors: Boadi Francis O. , Sampson Nicole S.
Published: September 2021

A binary gradient copolymer in which the gradient is comprised of two copolymer dyads (1a-alt-2 and 1b-alt-2) is formed by metathesis of two different strained bicyclo[4.2.0]-amides (1a and 1b) and an unstrained cyclohexene monomer (2).
Poly[N-(2-chloroprop-2-en-1-yl)aniline]s: synthesis, polymer analogous reaction, and physicochemical properties
Authors: Mustafin Akhat G. , Latypova Lyaysan R. , Andriianova Anastasiia N. , Usmanova Gulsum S.
Published: September 2021

A series of new soluble N-substituted poly(β-haloallylanilines) were synthesized by oxidative polymerization. Based on these polymers and polyphosphoric acid, various functionalized polyindoles of a new type were obtained in high yields.
Synthesis and sequencing of informational poly(amino phosphodiester)s
Authors: Roszak Ian , Oswald Laurence , Al Ouahabi Abdelaziz , Bertin Annabelle , Laurent Eline , Felix Olivier , Carvin-Sergent Isaure , Charles Laurence , Lutz Jean-François
Published: September 2021

The inclusion of main-chain tertiary amines in digital poly(phosphodiester)s allows synthesis of molecularly-defined achiral polymers and simplifies tandem mass spectrometry sequencing.
Stable cycling of Prussian blue/Zn battery in a nonflammable aqueous/organic hybrid electrolyte
Authors: Xu Zheng , Xiang Bo , Liu Chunli , Sun Yunpo , Xie Jian , Tu Jian , Xu Xiongwen , Zhao Xinbing
Published: September 2021

Aqueous FeHCF/Zn battery with a hybrid electrolyte exhibits ultralong cycle life with 51.4% capacity retention after 19 000 cycles.
Hydrogen-etched CoS2 to produce a Co9S8@CoS2 heterostructure electrocatalyst for highly efficient oxygen evolution reaction
Authors: Dong Yucan , Ran Jiaqi , Liu Qun , Zhang Guoqiang , Jiang Xingdong , Gao Daqiang
Published: September 2021

Herein, we report the outstanding OER performance of Co9S8@CoS2 heterojunctions synthesized by hydrogen etched CoS2, where the optimized heterojunction shows a low η50 of 396 mV and a small Tafel slope of 181.61 mV dec−1.
Synthesis of spirocyclic Δ4-isoxazolines via [3 + 2] cycloaddition of indanone-derived ketonitrones with alkynes
Authors: Liu Yilin , Liu Jiaxue , Liu Yan-Yun , Tang Boxiao , Lin Hongwei , Li Yuanxiang , Zhang Lin
Published: September 2021

A [3 + 2] cycloaddition of indanone-derived nitrones with alkynes under mild conditions has been developed. It is a highly efficient and straightforward method for the synthesis of diverse spirocyclicindenyl isoxazolines.
Application of an inorganic sulfur-modified expanded graphite anode for sodium storage at low temperatures
Authors: Zhou Li-Feng , Gao Yi-Jing , Gong He , Liu Li-Ying , Du Tao
Published: September 2021

An inorganic sulfur-modified expanded graphite was successfully prepared via both liquid fusion process and thermal expansion process. It exhibits high sodium storage and life-span performance at low temperature with the excellent kinetics.
pH-Dependent complexation and polyelectrolyte chain conformation of polyzwitterion–polycation coacervates in salted water
Authors: Lin Kehua , Jing Benxin , Zhu Yingxi
Published: September 2021

Effect of pH on the phase behavior and polyelectrolyte conformational structure of polyzwitterion and weak polycation coacervation in salted water.
Pattern formation, localized and running pulsation on active spherical membranes
Authors: Ghosh Subhadip , Gutti Sashideep , Chaudhuri Debasish
Published: September 2021

Coupling of active actin-myosin cortex and the cell membrane allows the cell to deform, move, and undergo division. Our calculations show emergence of pattern formation, localized pulsation, and pole-to-pole running pulsation on spherical membranes.
Importance of small loops within PIM-1 topology on gas separation selectivity in thin film composite membranes
Authors: Foster Andrew B. , Beal Joseph L. , Tamaddondar Marzieh , Luque-Alled Jose Miguel , Robertson Ben , Mathias Michael , Gorgojo Patricia , Budd Peter M.
Published: September 2021

Studies of blends of topologically distinct samples of the polymer of intrinsic microporosity PIM-1 provide, for the CO2/N2 gas pair, insight into the optimum loop topology required for high selectivity and permeance of thin film composite (TFC) membranes.
V2C/VO2 nanoribbon intertwined nanosheet dual heterostructure for highly flexible and robust lithium–sulfur batteries
Authors: Xu Mengyao , Wu Tianli , Qi Jing , Zhou Dan , Xiao Zhubing
Published: September 2021

V2C/VO2 nanoribbon intertwined V2C/VO2 nanosheet dual heterostructure is designed for flexible Li–S batteries. The flexible pouch cells deliver superior areal capacity and excellent capacity retention, showing great promise for future flexible electronic devices.
Retraction: Superior adsorption capacity of hierarchical iron oxide@magnesium silicate magnetic nanorods for fast removal of organic pollutants from aqueous solution
Authors: Zhang Shouwei , Xu Wenqing , Zeng Meiyi , Li Jie , Li Jiaxing , Xu Jinzhang , Wang Xiangke
Published: September 2021

Retraction of ‘Superior adsorption capacity of hierarchical iron oxide@magnesium silicate magnetic nanorods for fast removal of organic pollutants from aqueous solution’ by Shouwei Zhang et al., J. Mater. Chem. A, 2013, 1, 11691–11697, DOI: 10.1039/C3TA12767B.
Stepwise oxidations play key roles in the structural and functional regulations of DJ-1
Authors: Song In-Kang , Kim Mi-Sun , Ferrell Jr. James E. , Shin Dong-Hae , Lee Kong-Joo
Published: September 2021

DJ-1 is known to play neuroprotective roles by eliminating reactive oxygen species (ROS) as an antioxidant protein. However, the molecular mechanism of DJ-1 function has not been well elucidated. This study explored the structural and functional changes of DJ-1 in response to oxidative stress. Human DJ-1 has three cysteine residues (Cys46, Cys53 and Cys106). We found that, in addition to Cys106, Cys46 is the most reactive cysteine residue in DJ-1, which was identified employing an NPSB-B chemical probe (Ctag) that selectively reacts with redox-sensitive cysteine sulfhydryl. Peroxidatic Cys46 readily formed an intra-disulfide bond with adjacent resolving Cys53, which was identified with nanoUPLC-ESI-q-TOF tandem mass spectrometry (MS/MS) employing DBond algorithm under the non-reducing condition. Mutants (C46A and C53A), not forming Cys46–Cys53 disulfide cross-linking, increased oxidation of Cys106 to sulfinic and sulfonic acids. Furthermore, we found that DJ-1 C46A mutant has distorted unstable structure identified by biochemical assay and employing hydrogen/deuterium exchange-mass spectrometry (HDX-MS) analysis. All three Cys mutants lost antioxidant activities in SN4741 cell, a dopaminergic neuronal cell, unlike WT DJ-1. These findings suggest that all three Cys residues including Cys46–Cys53 disulfide cross-linking are required for maintaining the structural integrity, the regulation process and cellular function as an antioxidant protein. These studies broaden the understanding of regulatory mechanisms of DJ-1 that operate under oxidative conditions.
Impact of Type II LRRK2 inhibitors on signaling and mitophagy
Authors: Tasegian Anna , Singh Francois , Ganley Ian G. , Reith Alastair D. , Alessi Dario R.
Published: September 2021

Much effort has been devoted to the development of selective inhibitors of the LRRK2 as a potential treatment for LRRK2 driven Parkinson's disease. In this study, we first compare the properties of Type I (GSK3357679A and MLi-2) and Type II (GZD-824, Rebastinib and Ponatinib) kinase inhibitors that bind to the closed or open conformations of the LRRK2 kinase domain, respectively. We show that Type I and Type II inhibitors suppress phosphorylation of Rab10 and Rab12, key physiological substrates of LRRK2 and also promote mitophagy, a process suppressed by LRRK2. Type II inhibitors also display higher potency towards wild-type LRRK2 compared with pathogenic mutants. Unexpectedly, we find that Type II inhibitors, in contrast with Type I compounds, fail to induce dephosphorylation of a set of well-studied LRRK2 biomarker phosphorylation sites at the N-terminal region of LRRK2, including Ser935. These findings emphasize that the biomarker phosphorylation sites on LRRK2 are likely reporting on the open vs closed conformation of LRRK2 kinase and that only inhibitors which stabilize the closed conformation induce dephosphorylation of these biomarker sites. Finally, we demonstrate that the LRRK2[A2016T] mutant which is resistant to MLi-2 Type 1 inhibitor, also induces resistance to GZD-824 and Rebastinib suggesting this mutation could be exploited to distinguish off target effects of Type II inhibitors. Our observations provide a framework of knowledge to aid with the development of more selective Type II LRRK2 inhibitors.
Our evolving understanding of the role of the γδ T cell receptor in γδ T cell mediated immunity
Authors: Gully Benjamin S. , Rossjohn Jamie , Davey Martin S.
Published: September 2021

The γδ T cell immune cell lineage has remained relatively enigmatic and under-characterised since their identification. Conversely, the insights we have, highlight their central importance in diverse immunological roles and homeostasis. Thus, γδ T cells are considered as potentially a new translational tool in the design of new therapeutics for cancer and infectious disease. Here we review our current understanding of γδ T cell biology viewed through a structural lens centred on the how the γδ T cell receptor mediates ligand recognition. We discuss the limited knowledge of antigens, the structural basis of such reactivities and discuss the emerging trends of γδ T cell reactivity and implications for γδ T cell biology.
A Preliminary Investigation of Social Justice Perceptions Among U.S. Speech-Language Pathologists: Clinical Implications
Authors: Unger Julia P. , DeBonis David A. , Amitrano Anthony R.
Published: September 2021

Purpose

The purpose of this survey research is to provide preliminary data regarding speech-language pathologists' (SLPs') perceptions of the role that social justice (SJ) plays in their work. As our professional organizations call us to advocate and communicate with regulatory agencies and legislative bodies to promote quality care for all individuals, this topic has become particularly important at this time. At present, there is a lack of data in peer-reviewed publications within the discipline of communication disorders on SJ and even less regarding the perceptions of SLPs on SJ.

Method

The survey was sent to American Speech-Language-Hearing Association (ASHA)-certified SLPs, identified by the ASHA ProFind database, across six U.S. geographic regions, including both urban and rural communities. Four themes were explored through the survey: (a) importance of SJ, (b) awareness of SJ, (c) current practices related to SJ, and (d) barriers to SJ implementation.

Results

The majority of respondents view SJ as important to the profession (91.2%) and value the work of creating equality among groups (96.0%). Many SLPs are actively involved in implementing SJ principles in their own practice by accepting Medicaid (40.7%), engaging in political outreach (55.0%), and providing transdisciplinary educational outreach (77.9%). Identified barriers to incorporating SJ include time (62.7%), resources (65.6%), and finances (70.0%).

Conclusions

Working for SJ is important to a majority of the respondents, and various efforts are implemented to create equal opportunities for service to clients. Barriers continue to exist that limit the degree to which SLPs can work toward SJ. A list of actions to be considered in order to promote SJ in the field is provided.

Supplemental Material

https://doi.org/10.23641/asha.16584044
Distribution network hosting capacity assessment: Incorporating probabilistic harmonic distortion limits using chance constrained optimal power flow
Authors: Sun Wei , Harrison Gareth P.
Published: September 2021

The capacity of renewable distributed generation (DG) connected in distribution networks is increasing. Use of power electronic interfaces means DG can inject harmonic currents through the point of common coupling into upstream networks. The limits stipulated in harmonic emission standards may create challenges for accommodating DG. To explore the impact of harmonic regulations on the ability of distribution networks to host DG, this work incorporates harmonic voltage constraints into a network hosting capacity assessment. A novel hosting capacity assessment approach is presented, incorporating percentile‐based harmonic compliance levels as chance constraints over multiple periods into AC optimal power flow. The case study shows that network hosting capacity for DG could be evidently lower under rigorous compliance with harmonic distortion limits, but that relaxation of the risk constraints has significant value. Furthermore, the complex inter‐connectivity between DG sites means that voltage, thermal and harmonic constraints all influence the locational feasibility for DG capacity.
Probing the atmosphere of WASP-69 b with low- and high-resolution transmission spectroscopy
Authors: Khalafinejad S. , Molaverdikhani K. , Blecic J. , Mallonn M. , Nortmann L. , Caballero J. A. , Rahmati H. , Kaminski A. , Sadegi S. , Nagel E. , Carone L. , Amado P. J. , Azzaro M. , Bauer F. F. , Casasayas-Barris N. , Czesla S. , von Essen C. , Fossati L. , Güdel M. , Henning Th. , López-Puertas M. , Lendl M. , Lüftinger T. , Montes D. , Oshagh M. , Pallé E. , Quirrenbach A. , Reffert S. , Reiners A. , Ribas I. , Stock S. , Yan F. , Zapatero Osorio M. R. , Zechmeister M.
Published: September 2021

Consideration of both low- and high-resolution transmission spectroscopy is key for obtaining a comprehensive picture of exoplanet atmospheres. In studies of transmission spectra, the continuum information is well established with low-resolution spectra, while the shapes of individual lines are best constrained with high-resolution observations. In this work, we aim to merge high- with low-resolution transmission spectroscopy to place tighter constraints on physical parameters of the atmospheres. We present the analysis of three primary transits of WASP-69 b in the visible (VIS) channel of the CARMENES instrument and perform a combined low- and high-resolution analysis using additional data from HARPS-N, OSIRIS/GTC, and WFC3/HST already available in the literature. We investigate the Na I D1 and D2 doublet, Hα, the Ca II infra-red triplet (IRT), and K I λ7699 Å lines, and we monitor the stellar photometric variability by performing long-term photometric observations with the STELLA telescope. During the first CARMENES observing night, we detected the planet Na I D2 and D1 lines at ~7 and ~3σ significance levels, respectively. We measured a D2/D1 intensity ratio of 2.5 ± 0.7, which is in agreement with previous HARPS-N observations. Our modelling of WFC3 and OSIRIS data suggests strong Rayleigh scattering, solar to super-solar water abundance, and a highly muted Na feature in the atmosphere of this planet, in agreement with previous investigations of this target. We use the continuum information retrieved from the low-resolution spectroscopy as a prior to break the degeneracy between the Na abundance, reference pressure, and thermosphere temperature for the high-resolution spectroscopic analysis. We fit the Na I D1 and D2 lines individually and find that the posterior distributions of the model parameters agree with each other within 1σ. Our results suggest that local thermodynamic equilibrium processes can explain the observed D2 /D1 ratio because the presence of haze opacity mutes the absorption features.
The key impact of the host star’s rotational history on the evolution of TOI-849b
Authors: Pezzotti C. , Attia M. , Eggenberger P. , Buldgen G. , Bourrier V.
Published: September 2021

Context. TOI-849b is one of the few planets populating the hot-Neptune desert and it is the densest Neptune-sized one discovered so far. Its extraordinary proximity to the host star, together with the absence of a massive H/He envelope on top of the 40.8 M⊕ rocky core, calls into question the role played by the host star in the evolution of the system.

Aims. We aim to study the impact of the host star’s rotational history on the evolution of TOI-849b, particularly focussing on the planetary migration due to dynamical tides dissipated in the stellar convective envelope, and on the high-energy stellar emission.

Methods. Rotating stellar models of TOI-849 are coupled to our orbital evolution code to study the evolution of the planetary orbit. The evolution of the planetary atmosphere is studied by means of the JADE code, which uses realistic X-ray and extreme-ultraviolet (XUV) fluxes provided by our rotating stellar models.

Results. Assuming that the planet was at its present-day position (ain = 0.01598 AU) at the protoplanetary disc dispersal, with mass 40.8 M⊕, and considering a broad range of host star initial surface rotation rates (Ωin ∈ [3.2, 18] Ω⊙), we find that only for Ωin ≤ 5 Ω⊙ do we reproduce the current position of the planet, given that for Ωin >  5 Ω⊙ its orbit is efficiently deflected by dynamical tides within the first ∼40 Myr of evolution. We also simulated the evolution of the orbit for values of ain ≠ 0.01598 AU for each of the considered rotational histories, confirming that the only combination suited to reproduce the current position of the planet is given by ain = 0.01598 AU and Ωin ≤ 5 Ω⊙. We tested the impact of increasing the initial mass of the planet on the efficiency of tides, finding that a higher initial mass (Min = 1 MJup) does not change the results reported above. Based on these results we computed the evolution of the planetary atmospheres with the JADE code for a large range of initial masses above a core mass of 40.8 M⊕, finding that the strong XUV-flux received by the planet is able to remove the entirety of the envelope within the first 50 Myr, even if it formed as a Jupiter-mass planet.