bluuebunny/crossref_metadata_2025 huggingface dataset:
Electrically-pumped compact topological bulk lasers driven by band-inverted bound states in the continuum
Authors: Han Song , Cui Jieyuan , Chua Yunda , Zeng Yongquan , Hu Liangxing , Dai Mingjin , Wang Fakun , Sun Fangyuan , Zhu Song , Li Lianhe , Davies Alexander Giles , Linfield Edmund Harold , Tan Chuan Seng , Kivshar Yuri , Wang Qi Jie
Published: June 2023

One of the most exciting breakthroughs in physics is the concept of topology that was recently introduced to photonics, achieving robust functionalities, as manifested in the recently demonstrated topological lasers. However, so far almost all attention was focused on lasing from topological edge states. Bulk bands that reflect the topological bulk-edge correspondence have been largely missed. Here, we demonstrate an electrically pumped topological bulk quantum cascade laser (QCL) operating in the terahertz (THz) frequency range. In addition to the band-inversion induced in-plane reflection due to topological nontrivial cavity surrounded by a trivial domain, we further illustrate the band edges of such topological bulk lasers are recognized as the bound states in the continuum (BICs) due to their nonradiative characteristics and robust topological polarization charges in the momentum space. Therefore, the lasing modes show both in-plane and out-of-plane tight confinements in a compact laser cavity (lateral size ~3λlaser). Experimentally, we realize a miniaturized THz QCL that shows single-mode lasing with a side-mode suppression ratio (SMSR) around 20 dB. We also observe a cylindrical vector beam for the far-field emission, which is evidence for topological bulk BIC lasers. Our demonstration on miniaturization of single-mode beam-engineered THz lasers is promising for many applications including imaging, sensing, and communications.
The human genome harbours widespread exclusive yin yang haplotypes
Authors: Curtis David , Amos William
Published: June 2023

There have been reports of examples of exclusive yin yang haplotypes, differing at every locus, but there has been no systematic search for them. Unphased whole genome sequence data for 2504 unrelated 1000 Genomes subjects was searched for chains of SNPs having global minor allele frequency (MAF) > =0.1 made up of at least 20 SNPs in complete linkage disequilibrium with each other and with no pair being separated by more than 9 other SNPs. The global distribution of these haplotypes was investigated, along with their ancestral origins and associations with genes and phenotypes. A number of previously unrecognised repeats were noted, flagged by all or most subjects being called as heterozygotes, and these were discarded. There were 5114 exclusive yin yang haplotypes each consisting of on average 34.8 SNPs, each spanning on average 15.7 kb and cumulatively covering 80 Mb. Although for some haplotypes the MAF varied markedly between populations the average global fixation index was similar to that for SNPs elsewhere in the genome and there was no evidence of enrichment for genes or gene ontologies. For all but 92 haplotypes there were partial forms present in the chimpanzee and/or Neanderthal genome, indicating that they had been formed in a gradual process but that intermediate haplotypes were now absent from modern humans. Exclusive yin yang haplotypes cover over 2% of the human genome. The mechanisms accounting for their formation and preservation are unclear. They may serve as useful markers of the dispersal of chromosomal regions through human history.
Modelling genetic stability in engineered cell populations
Authors: Ingram Duncan , Stan Guy-Bart
Published: June 2023

Predicting the evolution of engineered cell populations is a highly sought-after goal in biotechnology. While models of evolutionary dynamics are far from new, their application to synthetic systems is scarce where the vast combination of genetic parts and regulatory elements creates a unique challenge. To address this gap, we here-in present a framework that allows one to connect the DNA design of varied genetic devices with mutation spread in a growing cell population. Users can specify the functional parts of their system and the degree of mutation heterogeneity to explore, after which our model generates host-aware transition dynamics between different mutation phenotypes over time. We show how our framework can be used to generate insightful hypotheses across broad applications, from how a device’s components can be tweaked to optimise long-term protein yield and genetic shelf life, to generating new design paradigms for gene regulatory networks that improve their functionality.
Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design
Authors: Moussaoui Dihia , Robblee James P. , Robert-Paganin Julien , Auguin Daniel , Fisher Fabio , Fagnant Patricia M. , Macfarlane Jill E. , Schaletzky Julia , Wehri Eddie , Mueller-Dieckmann Christoph , Baum Jake , Trybus Kathleen M. , Houdusse Anne
Published: June 2023

Malaria results in more than 500,000 deaths per year and the causative Plasmodium parasites continue to develop resistance to all known agents, including different antimalarial combinations. The class XIV myosin motor PfMyoA is part of a core macromolecular complex called the glideosome, essential for Plasmodium parasite mobility and therefore an attractive drug target. Here, we characterize the interaction of a small molecule (KNX-002) with PfMyoA. KNX-002 inhibits PfMyoA ATPase activity in vitro and blocks asexual blood stage growth of merozoites, one of three motile Plasmodium life-cycle stages. Combining biochemical assays and X-ray crystallography, we demonstrate that KNX-002 inhibits PfMyoA using a previously undescribed binding mode, sequestering it in a post-rigor state detached from actin. KNX-002 binding prevents efficient ATP hydrolysis and priming of the lever arm, thus inhibiting motor activity. This small-molecule inhibitor of PfMyoA paves the way for the development of alternative antimalarial treatments.
Chemoselectivity change in catalytic hydrogenolysis enabling urea-reduction to formamide/amine over more reactive carbonyl compounds
Authors: Iwasaki Takanori , Tsuge Kazuki , Naito Naoki , Nozaki Kyoko
Published: June 2023

The selective transformation of a less reactive carbonyl moiety in the presence of more reactive ones can realize straightforward and environmentally benign chemical processes. However, such a transformation is highly challenging because the reactivity of carbonyl compounds, one of the most important functionalities in organic chemistry, depends on the substituents on the carbon atom. Herein, we report an Ir catalyst for the selective hydrogenolysis of urea derivatives, which are the least reactive carbonyl compounds, affording formamides and amines. Although formamide, as well as ester, amide, and carbamate substituents, are considered to be more reactive than urea, the proposed Ir catalyst tolerated these carbonyl groups and reacted with urea in a highly chemoselective manner. The proposed chemo- and regioselective hydrogenolysis allows the development of a strategy for the chemical recycling of polyurea resins.
Machine learning optimization of candidate antibody yields highly diverse sub-nanomolar affinity antibody libraries
Authors: Li Lin , Gupta Esther , Spaeth John , Shing Leslie , Jaimes Rafael , Engelhart Emily , Lopez Randolph , Caceres Rajmonda S. , Bepler Tristan , Walsh Matthew E.
Published: June 2023

Therapeutic antibodies are an important and rapidly growing drug modality. However, the design and discovery of early-stage antibody therapeutics remain a time and cost-intensive endeavor. Here we present an end-to-end Bayesian, language model-based method for designing large and diverse libraries of high-affinity single-chain variable fragments (scFvs) that are then empirically measured. In a head-to-head comparison with a directed evolution approach, we show that the best scFv generated from our method represents a 28.7-fold improvement in binding over the best scFv from the directed evolution. Additionally, 99% of designed scFvs in our most successful library are improvements over the initial candidate scFv. By comparing a library’s predicted success to actual measurements, we demonstrate our method’s ability to explore tradeoffs between library success and diversity. Results of our work highlight the significant impact machine learning models can have on scFv development. We expect our method to be broadly applicable and provide value to other protein engineering tasks.
Non-volatile electrically programmable integrated photonics with a 5-bit operation
Authors: Chen Rui , Fang Zhuoran , Perez Christopher , Miller Forrest , Kumari Khushboo , Saxena Abhi , Zheng Jiajiu , Geiger Sarah J. , Goodson Kenneth E. , Majumdar Arka
Published: June 2023

Scalable programmable photonic integrated circuits (PICs) can potentially transform the current state of classical and quantum optical information processing. However, traditional means of programming, including thermo-optic, free carrier dispersion, and Pockels effect result in either large device footprints or high static energy consumptions, significantly limiting their scalability. While chalcogenide-based non-volatile phase-change materials (PCMs) could mitigate these problems thanks to their strong index modulation and zero static power consumption, they often suffer from large absorptive loss, low cyclability, and lack of multilevel operation. Here, we report a wide-bandgap PCM antimony sulfide (Sb2S3)-clad silicon photonic platform simultaneously achieving low loss (<1.0 dB), high extinction ratio (>10 dB), high cyclability (>1600 switching events), and 5-bit operation. These Sb2S3-based devices are programmed via on-chip silicon PIN diode heaters within sub-ms timescale, with a programming energy density of $$\sim 10\,{fJ}/n{m}^{3}$$
~
10

f
J
/
n

m

3

. Remarkably, Sb2S3 is programmed into fine intermediate states by applying multiple identical pulses, providing controllable multilevel operations. Through dynamic pulse control, we achieve 5-bit (32 levels) operations, rendering 0.50 ± 0.16 dB per step. Using this multilevel behavior, we further trim random phase error in a balanced Mach-Zehnder interferometer.
Tunable coupling in magnetic thin film heterostructures with a magnetic phase transition
Authors: Stojak Repa Kristen , Kirby Brian J. , Miller Casey W.
Published: June 2023

The magnetic properties of permalloy-based trilayers of the form Py0.8Cu0.2/Py0.4Cu0.6/Py/IrMn were studied as the spacer layer undergoes a paramagnetic to ferromagnetic phase transition. We find the coupling between the free Py0.8Cu0.2 layer and the exchange bias pinned Py to be strongly temperature-dependent: there is negligible coupling above the Curie temperature of the Py0.4Cu0.6 spacer layer, strong ferromagnetic coupling below that temperature, and a tunable coupling between these extremes. Polarized neutron reflectometry was used to measure the depth profile of the magnetic order in the system, allowing us to correlate the order parameter with the coupling strength. The thickness dependence shows that these are interface effects with an inverse relationship to thickness, and that there is a magnetic proximity effect that enhances the Curie temperature of the spacer layer with characteristic length scale of about 7 nm. As a demonstration of potential functionality of such a system, the structure is shown to spontaneously flip from the antiparallel to parallel magnetic configuration once the spacer layer has developed long-range magnetic order.
Deforestation for oil palm increases microclimate suitability for the development of the disease vector Aedes albopictus
Authors: Saager E. S. , Iwamura T. , Jucker T. , Murray K. A.
Published: June 2023

A major trade-off of land-use change is the potential for increased risk of infectious diseases, a.o. through impacting disease vector life-cycles. Evaluating the public health implications of land-use conversions requires spatially detailed modelling linking land-use to vector ecology. Here, we estimate the impact of deforestation for oil palm cultivation on the number of life-cycle completions ofAedes albopictusvia its impact on local microclimates. We apply a recently developed mechanistic phenology model to a fine-scaled (50-m resolution) microclimate dataset that includes daily temperature, rainfall and evaporation. Results of this combined model indicate that the conversion from lowland rainforest to plantations increases suitability forA. albopictusdevelopment by 10.8%, moderated to 4.7% with oil palm growth to maturity. Deforestation followed by typical plantation planting-maturation-clearance-replanting cycles is predicted to create pulses of high development suitability. Our results highlight the need to explore sustainable land-use scenarios that resolve conflicts between agricultural and human health objectives.
Prediction of microseismic events in rock burst mines based on MEA-BP neural network
Authors: Lan Tianwei , Guo Xutao , Zhang Zhijia , Liu Mingwei
Published: June 2023

Microseismic monitoring is an important tool for predicting and preventing rock burst incidents in mines, as it provides precursor information on rock burst. To improve the prediction accuracy of microseismic events in rock burst mines, the working face of the Hegang Junde coal mine is selected as the research object, and the research data will consist of the microseismic monitoring data from this working face over the past 4 years, adopts expert system and temporal energy data mining method to fuse and analyze the mine pressure manifestation regularity and microseismic data, and the "noise reduction" data model is established. By comparing the MEA-BP and traditional BP neural network models, the results of the study show that the prediction accuracy of the MEA-BP neural network model was higher than that of the BP neural network. The absolute and relative errors of the MEA-BP neural network were reduced by 247.24 J and 46.6%, respectively. Combined with the online monitoring data of the KJ550 rock burst, the MEA-BP neural network proved to be more effective in microseismic energy prediction and improved the accuracy of microseismic event prediction in rock burst mines.
Formalin-evoked pain triggers sex-specific behavior and spinal immune response
Authors: Pepino Lucie , Malapert Pascale , Saurin Andrew J. , Moqrich Aziz , Reynders Ana
Published: June 2023

Mounting evidence shows sex-related differences in the experience of pain with women suffering more from chronic pain than men. Yet, our understanding of the biological basis underlying those differences remains incomplete. Using an adapted model of formalin-induced chemical/inflammatory pain, we report here that in contrast to male mice, females distinctly display two types of nocifensive responses to formalin, distinguishable by the duration of the interphase. Females in proestrus and in metestrus exhibited respectively a short-lasting and a long-lasting interphase, underscoring the influence of the estrus cycle on the duration of the interphase, rather than the transcriptional content of the dorsal horn of the spinal cord (DHSC). Additionally, deep RNA-sequencing of DHSC showed that formalin-evoked pain was accompanied by a male-preponderant enrichment in genes associated with the immune modulation of pain, revealing an unanticipated contribution of neutrophils. Taking advantage of the male-enriched transcript encoding the neutrophil associated protein Lipocalin 2 (Lcn2) and using flow cytometry, we confirmed that formalin triggered the recruitment of LCN2-expressing neutrophils in the pia mater of spinal meninges, preferentially in males. Our data consolidate the contribution of female estrus cycle to pain perception and provide evidence supporting a sex-specific immune regulation of formalin-evoked pain.
Forecasting of potential anti-inflammatory targets of some immunomodulatory plants and their constituents using in vitro, molecular docking and network pharmacology-based analysis
Authors: Khairy Asmaa , Ghareeb Doaa A. , Celik Ismail , Hammoda Hala M. , Zaatout Hala H. , Ibrahim Reham S.
Published: June 2023

Most synthetic immunomodulatory medications are extremely expensive, have many disadvantages and suffer from a lot of side effects. So that, introducing immunomodulatory reagents from natural sources will have great impact on drug discovery. Therefore, this study aimed to comprehend the mechanism of the immunomodulatory activity of some natural plants via network pharmacology together with molecular docking andin vitrotesting. Apigenin, luteolin, diallyl trisulfide, silibinin and allicin had the highest percentage of C-T interactions while, AKT1, CASP3, PTGS2, NOS3, TP53 and MMP9 were found to be the most enriched genes. Moreover, the most enriched pathways were pathways in cancer, fluid shear stress and atherosclerosis, relaxin signaling pathway, IL-17 signaling pathway and FoxO signaling pathway. Additionally,Curcuma longa,Allium sativum,Oleu europea, Salvia officinalis,Glycyrrhiza glabraandSilybum marianumhad the highest number of P-C-T-P interactions. Furthermore, molecular docking analysis of the top hit compounds against the most enriched genes revealed that silibinin had the most stabilized interactions with AKT1, CASP3 and TP53, whereas luteolin and apigenin exhibited the most stabilized interactions with AKT1, PTGS2 and TP53.In vitroanti-inflammatory and cytotoxicity testing of the highest scoring plants exhibited equivalent outcomes to those of piroxicam.
Disparity in the use of Alzheimer's disease treatment in Southern Brazil
Authors: De Marco Maisa , Brandi Ana Laura , Bieger Andrei , Krug Bárbara , Camozzato Analuiza , Picon Paulo D. , Chaves Marcia Lorena Fagundes , Castilhos Raphael Machado
Published: June 2023

Alzheimer's disease (AD) treatment is freely available in the Brazilian public health system. However, the prescription pattern and its associated factors have been poorly studied in our country. We reviewed all granted requests for AD treatment in the public health system in October 2021 in the Rio Grande do Sul (RS) state, Southern Brazil. We performed a spatial autocorrelation analysis with the population-adjusted patients receiving any AD medication as the outcome and correlated it with several socioeconomic variables. 2382 patients with AD were being treated during the period analyzed. The distribution of the outcome variable was not random (Moran's I 0.17562, P <.0001), with the most developed regions having a higher number of patients/100,000 receiving any AD medication. We show that although AD medications are available through the public health system, there is a clear disparity between regions of RS state. Factors related to socioeconomic development partly explain this finding.
Compositional and functional variability of the gut microbiome in children with infantile colic
Authors: Kozhakhmetov Samat , Meiirmanova Zarina , Mukhanbetzhanov Nurislam , Jarmukhanov Zharkyn , Vinogradova Elizaveta , Mureyev Shamil , Kozhakhmetova Saniya , Morenko Marina , Shnaider Kseniya , Duisbayeva Arailym , Kushugulova Almagul
Published: June 2023

The inconsolable crying of a child for no apparent reason at an early age is a source of excitement and anxiety for parents. Previous studies have reported that crying may be caused by discomfort associated with the occupation of the intestines of the newborn by microbiota and its vital activity. We conducted a prospective observational study in which 62 newborns and their mothers were recruited. The study comprised two groups, each consisting of 15 infants with colic and 21 controls. Colic and control groups were vaginally born and exclusively breastfed. Fecal samples from children were collected over time from day 1 to 12 months. Full metagenomic sequencing of fecal samples from children and their mothers was carried out. It was determined that the trajectory of the development of the intestinal microbiome of children with colic was different from the group without colic. In the colic group, a depleted relative abundance of Bifidobacterium and enrichment of Bacteroides Clostridiales was found, while the microbial biodiversity in this group was enriched. Metabolic pathway profiling showed that the non-colic group was enriched by amino acid biosynthetic pathways, while the feces microbiome of the colic group was enriched by glycolysis metabolic pathways that correlated with the Bacteroides taxon. This study shows that infantile colic has a definite relationship with the microbiome structure of infants.
Potential of bacteriophage therapy in managing Staphylococcus aureus infections during chemotherapy for lung cancer patients
Authors: Li Jiaqi , Zheng Huangliang , Leung Sharon Shui Yee
Published: June 2023

Respiratory Staphylococcus aureus infection represents a common complication in lung cancer patients, which is characterized with progressively and recurrently intratumor invasion. Although bacteriophages are widely reported as an effective bioweapon for managing bacterial infections, its applicability in handling infectious complications during cancer chemotherapy remains unknown. In this work, we hypothesized cancer chemotherapeutics would influence the efficacy of bacteriophages. To verify this end, interactions between four anticancer drugs (Gemcitabine, Doxorubicin, Cisplatin, and Irinotecan) with phage K were investigated, where Cisplatin directly reduced phage titers while Gemcitabine and Doxorubicin partially inhibited its propagation. The antibacterial efficacy of drug-phage K combinations was tested in a S. aureus infected cancer cell model. Doxorubicin enhanced the antibacterial capacity of phage K, destroying 22-folds of cell-associated bacteria than that of phage K alone use. Also, S. aureus migration was remarkably reduced by Doxorubicin. Overall, our data suggested that Doxorubicin had synergistic effects with phage K in combating S. aureus intracellular infection and migration. This work may broaden the options of indication for phage clinical transformation and also provide reference for the adjunctive application of chemo drugs in intracellular infection management.
From MEG to clinical EEG: evaluating a promising non-invasive estimator of defense-related muscle sympathetic nerve inhibition
Authors: Eskelin John J. , Lundblad Linda C. , Wallin B. Gunnar , Karlsson Tomas , Riaz Bushra , Lundqvist Daniel , Schneiderman Justin F. , Elam Mikael
Published: June 2023

Sudden, unexpected stimuli can induce a transient inhibition of sympathetic vasoconstriction to skeletal muscle, indicating a link to defense reactions. This phenomenon is relatively stable within, but differs between, individuals. It correlates with blood pressure reactivity which is associated with cardiovascular risk. Inhibition of muscle sympathetic nerve activity (MSNA) is currently characterized through invasive microneurography in peripheral nerves. We recently reported that brain neural oscillatory power in the beta spectrum (beta rebound) recorded with magnetoencephalography (MEG) correlated closely with stimulus-induced MSNA inhibition. Aiming for a clinically more available surrogate variable reflecting MSNA inhibition, we investigated whether a similar approach with electroencephalography (EEG) can accurately gauge stimulus-induced beta rebound. We found that beta rebound shows similar tendencies to correlate with MSNA inhibition, but these EEG data lack the robustness of previous MEG results, although a correlation in the low beta band (13–20 Hz) to MSNA inhibition was found (p = 0.021). The predictive power is summarized in a receiver-operating-characteristics curve. The optimum threshold yielded sensitivity and false-positive rate of 0.74 and 0.33 respectively. A plausible confounder is myogenic noise. A more complicated experimental and/or analysis approach is required for differentiating MSNA-inhibitors from non-inhibitors based on EEG, as compared to MEG.
A touchless user interface based on a near-infrared-sensitive transparent optical imager
Authors: Kamijo Takeshi , van Breemen Albert J. J. M. , Ma Xiao , Shanmugam Santhosh , Bel Thijs , de Haas Gerard , Peeters Bart , Petre Razvan , Tordera Daniel , Verbeek Roy , Akkerman Hylke B. , Hagelsieb Luis Moreno , de Roose Florian , Lieberman Itai , Yamaguchi Fujito , Janssen René A. J. , Meulenkamp Eric A. , Kronemeijer Auke Jisk , Gelinck Gerwin H.
Published: June 2023

Touchless user interfaces that are based on gestures typically rely on near-infrared cameras. However, such systems are often hampered by their limited field of view and high-accuracy calibration requirements. Here we report a touchless user interface that is based on a visually transparent near-infrared-sensitive organic photodetector array and can be used on top of a display. Optical transparency is achieved by using a printed copper grid as a bottom transparent conductive electrode and an array of patterned organic photodetector subpixels. Electro-optical modelling is used to optimize the design of the image sensor, leading to a photodetectivity of approximately 1012 Jones at 850 nm and a high visible-light transmittance of 70%. We show that the imager can be used as a penlight-controlled and gesture-controlled touchless user interface when combined with a commercial display.
Itaconic acid underpins hepatocyte lipid metabolism in non-alcoholic fatty liver disease in male mice
Authors: Weiss Jonathan M. , Palmieri Erika M. , Gonzalez-Cotto Marieli , Bettencourt Ian A. , Megill Emily L. , Snyder Nathaniel W. , McVicar Daniel W.
Published: June 2023

Itaconate, the product of the decarboxylation of cis-aconitate, regulates numerous biological processes. We and others have revealed itaconate as a regulator of fatty acid β-oxidation, generation of mitochondrial reactive oxygen species and the metabolic interplay between resident macrophages and tumors. In the present study, we show that itaconic acid is upregulated in human non-alcoholic steatohepatitis and a mouse model of non-alcoholic fatty liver disease. Male mice deficient in the gene responsible for itaconate production (immunoresponsive gene (Irg)-1) have exacerbated lipid accumulation in the liver, glucose and insulin intolerance and mesenteric fat deposition. Treatment of mice with the itaconate derivative, 4-octyl itaconate, reverses dyslipidemia associated with high-fat diet feeding. Mechanistically, itaconate treatment of primary hepatocytes reduces lipid accumulation and increases their oxidative phosphorylation in a manner dependent upon fatty acid oxidation. We propose a model whereby macrophage-derived itaconate acts in trans upon hepatocytes to modulate the liver’s ability to metabolize fatty acids.
Quantitative SERS detection of multiple breast cancer miRNAs based on duplex specific nuclease-mediated signal amplification
Authors: Xu Wei , Zhang Yu , Hou Dianhai , Shen Jianjun , Dong Jinhua , Gao Zhiqin , Liu Honglin
Published: June 2023

Simultaneous and ultrasensitive detection of multiple microRNA (miRNA) biomarkers is an essential precondition for early cancer diagnosis and treatment.
Isotopic enrichment in lanthanide coordination complexes: contribution to single-molecule magnets and spin qudit insights
Authors: Pointillart Fabrice , Bernot Kevin , Le Guennic Boris , Cador Olivier
Published: June 2023

Isotopic enrichment in lanthanide compounds is a powerful tool to enhance our knowledge and the performance of single-molecule magnets and Qudit behaviors for potential applications in high density data storage and quantum information processing.
Molecular unravelling of the mechanism of overpotential change at the carbon nanotubes-modified gold electrode surface
Authors: Zhang Yanyan , Jin Jing , Xue Yifei , Zhao Yao , Luo Qun , Mao Lanqun , Wang Fuyi
Published: June 2023

Herein, we molecularly in situ probed the electrochemical interfacial chemistry altered by carbon nanotubes modification using electrochemical liquid SIMS technique.
Nickel-doped iridium echinus-like nanosheets for stable acidic water splitting
Authors: Xie Yuhua , Feng Yumei , Jin Siyu , Li Chen , Li Chunsheng , Sun Yan , Luo Fang , Yang Zehui
Published: June 2023

Nickel-doped iridium echinus-like nanosheets (NiIr-ENS) have a superior acidic oxygen evolution reaction (OER) activity with a TOF of 1.72 s−1 at an overpotential of 300 mV, 8.6-fold higher than that of IrO2.
Na3(VO)(PO4)(CO3): a synthetic member of the bradleyite phosphate carbonate family with a new type of crystal structure
Authors: Yakubovich Olga , Kiriukhina Galina , Simonov Sergey , Volkov Anatoly , Dimitrova Olga
Published: June 2023

The synthesis and characterization of a (VO)2+ representative in the bradleyite family of compounds is reported. The character of the Na atom distribution in the structure allows considering Na3(VO)(PO4)(CO3) as a potential cathode material.
Rationalizing the formation of porosity in mechanochemically-synthesized polymers
Authors: Krusenbaum Annika , Hinojosa Steffi Krause , Fabig Sven , Becker Valentin , Grätz Sven , Borchardt Lars
Published: June 2023

The generation of a matrix of 144 mechanochemically-synthesized polymers reveals that the physical state, molecular size, geometry, flexibility, and electronic structure of the building blocks are crucial for polymer porosity.
Ag10Cu16 nanoclusters with triple-ligand protection: total structure and electronic structure analysis
Authors: Sun Xueli , Li Simin , Tian Guolong , Gao Yanli , Wei Jianyu , Shen Hui
Published: June 2023

Total structure and electronic structure analysis of a Ag10Cu16(C8H9S)16(PPh3)4(CF3CO2)8 nanocluster with triple-ligand protection is presented. The cluster exhibits high stability due to the electronic and steric closure.
Nucleic acids as templates and catalysts in chemical reactions: target-guided dynamic combinatorial chemistry and in situ click chemistry and DNA/RNA induced enantioselective reactions
Authors: Saha Puja , Panda Deepanjan , Dash Jyotirmayee
Published: June 2023

This review article highlights the scope and utility of nucleic acid templated synthetic strategies for the development of potential and therapeutically relevant drug candidates.
Bifunctionality of Zn dust in Ullmann C–C cross-coupling by Ni/Pd dual catalysis: theoretical insight
Authors: Gao Rong-Wan , Dong Yu-Jiao , Zhu Bo , Guan Wei
Published: June 2023

Zinc powder presents bifunctionality for heterogeneous single-electron reduction and homogeneous transmelation in Ullmann C–C bond cross-coupling by Ni/Pd dual catalysis.
Oxychloridoselenites(iv) with cubane-derived anions and stepwise chlorine-to-oxygen exchange
Authors: Bonnin Maxime A. , Feldmann Claus
Published: June 2023

Novel oxychloridoselenites(iv) are prepared from SeCl4, SeOCl2, and/or SeO2 near room temperature. Composition and structure can be derived from heterocubane-type (SeCl4)4.
Chitosan–silica nanocomposites induced resistance in faba bean plants against aphids (Acyrthosiphon pisum)
Authors: Ji Haihua , Wang Jinghong , Xue Aiyuan , Chen Feiran , Guo Huijuan , Xiao Zhenggao , Wang Zhenyu
Published: June 2023

Chitosan–silica nanocomposites enhanced faba bean plant resistance against aphids by increasing the production of anti-insect metabolites.
A systematic review of the inhibitory effect of extracts from edible parts of nuts on α-glucosidase activity
Authors: Farazi Mena , Houghton Michael J. , Murray Margaret , Williamson Gary
Published: June 2023

Inhibition of α-glucosidases can slow carbohydrate digestion to reduce postprandial glycaemia and lower risk of type 2 diabetes. Our systematic review found no studies that tested the inhibitory potential of nut extracts against human α-glucosidases.
A polysaccharide from Allium tenuissimum L. flowers relieves ulcerative colitis by regulating the inflammatory signaling pathway and gut microbiota
Authors: Zhang Yan , Yu Siyu , Liu Jia , Liu Ying , Luo Jie , Liu Yong
Published: June 2023

A novel polysaccharide named ATFP, extracted from Allium tenuissimum L., alleviates DSS-induced colitis by regulating the TLR4/MyD88/NF-κB signaling pathway and remodeling the gut microbiota structure.
The environmental impact and economic feasibility assessment of composite calcium alginate bioplastics derived from Sargassum
Authors: Mohammed Akeem , Ward Keeran , Lee Koon-Yang , Dupont Valerie
Published: June 2023

For much of the Caribbean, plastic pollution and the great Atlantic Sargassum belt has led to significant regional loss. To elevate these problematic areas, we present a novel calcium alginate bioplastic process from the lens of techno-economic and life cycle assessments.
Design, synthesis and evaluation of l-quebrachitol derivatives against α-glycosidase
Authors: Zhang Maoying , Liang Xinjie , Cai Pengcheng , Feng Qixun , Chen Yongsong , Yu Xiaoxi , Zhang Kuo , Bao Xuefei , Chen Guoliang
Published: June 2023

A novel hypoglycemic drug with potential, a derivative of l-quebrachitol.
Kinetic and thermodynamic sorption studies of Fe(iii) and Zr(iv) by DFO@Purolite, a desferrioxamine B based chelating resin
Authors: Alberti Giancarla , Zanoni Camilla , Losi Vittorio , Rovertoni Sara , Magnaghi Lisa Rita , Fonquernie Osian , Brandès Stéphane , Amati Agnese , Chambron Jean-Claude , Maudoux Nicolas , Biesuz Raffaela , Meyer Michel
Published: June 2023

DFO@Purolite resin efficiently sorbs Fe(iii) and Zr(iv) above pH 1. The Gibbs–Donnan model enabled to determine the stoichiometry and stability of the complexes formed in the solid phase and to predict the sorption behaviour of the material.
The effect of tartrate on the mild leaching of low-grade polymetallic complex chalcopyrite ore in acidic ferric chloride solution
Authors: Liu Xin-Jie , Liao Yalong , Liu Qingfeng , Wu Min
Published: June 2023

The mild leaching of low-grade polymetallic complex chalcopyrite ore (LPCCO) is of great significance, but is limited by the passive film.
Computational assessment of amino acid-coupled benzanthrone 2-aminoacetamides as molecular probes for insulin amyloid fibril visualization
Authors: Francis Reshma Rensil , Ebenezer Cheriyan , Vijay Solomon Rajadurai , Wilson Paul
Published: June 2023

Fluorescent proteins are currently the most extensively studied fluorescent markers used in bio-imaging, and many such fluorescent markers are used in research to label amino acids and proteins.
Growth of few-layer WTe2 by a salt-assisted double-tube chemical vapor deposition method with high infrared photosensitivity
Authors: Zhao Zhengui , Dong Fangfei , Wang Yuyan , Sun Jiacheng , Ye Huanyu , Wang Rongming , Zhang Junying
Published: June 2023

High-quality 2D WTe2 is obtained by one-step salt-assisted double-tube CVD, and the fabricated photodetector exhibits outstanding infrared photosensitivity at room temperature.
Preparation of expandable vertically aligned carbon nanotube arrays/polydimethylsiloxane membrane by a modular splicing method and its application inin situethanol recovery from ethanol fermentation
Authors: Yang Decai , Kang Wei , Fang Xueyang , Gao Fei , Cheng Chi , Zhao Zongbin , Chen Shi , Bao Yongming , Xue Chuang
Published: June 2023

A module splicing method is developed for preparing an area expandable membrane that is applied to coupled fermentation and separation.
Assessment of biomass-derived carbon dots as highly sensitive and selective templates for the sensing of hazardous ions
Authors: Singh Permender , Arpita  , Kumar Sandeep , Kumar Parmod , Kataria Navish , Bhankar Vinita , Kumar Krishan , Kumar Ravi , Hsieh Chien-Te , Khoo Kuan Shiong
Published: June 2023

Green synthesis route, basic structure, fluorescent nature and sensing mechanism of biomass-derived carbon dots.
Optimized core–shell lanthanide nanoparticles with ultrabright Ce3+-modulated second near-infrared emission for “lighting” plants
Authors: Wang Jikun , Li Chunsheng , Cui Yujie , Wang Qiang , Ye Jin , Yang Jie , Liu Zhongyuan , Zhang Su , Fu Yujie , Xu Jiating
Published: June 2023

The Er3+/Tm3+ cooperated core together with Ce3+/Yb3+ co-doped shell endows LDNPs with ultrabright NIR-II emission, which could be used to “light” plants for observing the uptake and transport of nanoparticles in vivo.
Dual functionality of ferrocene-based metallopolymers as radical scavengers and nanoparticle stabilizing agents
Authors: Alsharif Nizar B. , Halmágyi Tibor Gergo , Hempenius Mark A. , Vancso G. Julius , Nardin Corinne , Szilagyi Istvan
Published: June 2023

The surface of latex nanoparticles was functionalized with ferrocene-based metallopolymers to obtain an efficient radical scavenger composite with remarkable colloidal stability.
Preparation, performance and mechanism of metal oxide modified catalytic ceramic membranes for wastewater treatment
Authors: Huang Yangbo , Guan Zeyu , Li Qiang , Li Qian , Xia Dongsheng
Published: June 2023

Catalytic ceramic membranes (CMs) integrated with different metal oxides were designed and fabricated by an impregnation-sintering method.
The influence of DC voltage on the conductivity of chloroprene rubber-carbon black composites for flexible resistive heating elements
Authors: Berzina Astrida , Klemenoks Igors , Knite Maris
Published: June 2023

Three mechanisms are responsible for the electrical conductivity in chloroprene rubber and carbon black composites for voltages up to 10 V.
Chemoselective derivatisation and ultrahigh resolution mass spectrometry for the determination of hydroxyl functional groups within complex bio-oils
Authors: Palacio Lozano Diana Catalina , Jones Hugh E. , Barrow Mark P. , Wills Martin
Published: June 2023

Mass spectrometry in combination with a targeted derivatisation can be used for profiling molecular compositions containing hydroxyl groups in bio-oils.
Site-selective radiolabeling using mushroom tyrosinase and the strain-promoted oxidation-controlled 1,2-quinone cycloaddition
Authors: Rodriguez Cindy , Delaney Samantha , Sebastiano Joni , Sarrett Samantha M. , Cornejo Mike A. , Thau Sarah , Hosny Meena M. , Zeglis Brian M.
Published: June 2023

For the first time, mushroom tyrosinase and the strain-promoted oxidation-controlled 1,2-quinone (SPOCQ) cycloaddition have been harnessed for the site-selective bioconjugation of a radioimmunoconjugate.
A focus on sustainable energy management for self-powered IoT devices via indoor photovoltaics
Authors: Docampo Pablo
Published: June 2023

Michaels et al. (Chem. Sci., 2023 https://doi.org/10.1039/D3SC00659J) show how employing a dye combination that matches the indoor light spectrum maximises the efficiency of dye cells to power autonomous Internet of Things systems.
Functionalized nanozyme with drug loading for enhanced tumour combination treatment of catalytic therapy and chemotherapy
Authors: Song Qian , Chi Bin , Gao Haiqing , Wang Junke , Wu Miaomiao , Xu Yi , Wang Yingxi , Xu Zushun , Li Ling , Wang Jing , Zhang Run
Published: June 2023

We report the development of Zr/Ce-MOFs/DOX/MnO2 as a new nanozyme for enhanced combination catalytic therapy and chemotherapy of cancer in vitro and in vivo.
Theoretical insight into the intrinsic electronic transport properties of graphene–biphenylene–graphene nanosheets and nanoribbons: a first-principles study
Authors: Luo Cheng , Chen Tong , Dong Xiansheng , Xie Luzhen , Qin Danfeng , Huang Lin , Li Huili , Xiao Xianbo
Published: June 2023

The I–V curves of 2D G–BPN–G devices exhibit intrinsic NDR characteristics. Adjustable metal-to-semiconductor devices can be achieved by varying the combination of H and O passivated cells in Q1D G–BPN–G nanoribbons based nanodevices.
Classification of Cushing's syndrome PKAc mutants based upon their ability to bind PKI
Authors: Omar Mitchell H. , Kihiu Maryanne , Byrne Dominic P. , Lee Kyung-Soon , Lakey Tyler M. , Butcher Erik , Eyers Patrick A. , Scott John D.
Published: June 2023

Cushing's syndrome is an endocrine disorder caused by excess production of the stress hormone cortisol. Precision medicine strategies have identified single allele mutations within the PRKACA gene that drive adrenal Cushing's syndrome. These mutations promote perturbations in the catalytic core of protein kinase A (PKAc) that impair autoinhibition by regulatory subunits and compartmentalization via recruitment into AKAP signaling islands. PKAcL205R is found in ∼45% of patients, whereas PKAcE31V, PKAcW196R, and L198insW and C199insV insertion mutants are less prevalent. Mass spectrometry, cellular, and biochemical data indicate that Cushing's PKAc variants fall into two categories: those that interact with the heat-stable protein kinase inhibitor PKI, and those that do not. In vitro activity measurements show that wild-type PKAc and W196R activities are strongly inhibited by PKI (IC50 < 1 nM). In contrast, PKAcL205R activity is not blocked by the inhibitor. Immunofluorescent analyses show that the PKI-binding variants wild-type PKAc, E31V, and W196R are excluded from the nucleus and protected against proteolytic processing. Thermal stability measurements reveal that upon co-incubation with PKI and metal-bound nucleotide, the W196R variant tolerates melting temperatures 10°C higher than PKAcL205. Structural modeling maps PKI-interfering mutations to a ∼20 Å diameter area at the active site of the catalytic domain that interfaces with the pseudosubstrate of PKI. Thus, Cushing's kinases are individually controlled, compartmentalized, and processed through their differential association with PKI.
Non‐linear multivariable permanent magnet synchronous machine control: A robust non‐linear generalized predictive controller approach
Authors: Djouadi Hafidh , Ouari Kamel , Belkhier Youcef , Lehouche Houcine , Ibaouene Cylia , Bajaj Mohit , AboRas Kareem M. , Khan Baseem , Kamel Salah
Published: June 2023

Permanent magnet synchronous motors (PMSM) have become prevalent in industry and play an essential role in managing industrial processes, automation systems, and renewable energy sources due to their superior efficiency, torque, and power density. However, because it operates like a non‐linear system with quick dynamics, variable parameters during operation, and unknown disturbances, PMSM presents challenges for machine control. Non‐linear controls are required to account for the non‐linearities of the permanent magnet synchronous machine. Recently, predictive control techniques for non‐linear multi‐variable systems have gained popularity. In this work, a novel approach to robust non‐linear generalized predictive control (RNGPC) has been developed for PMSM, with the aim of tracking the reference speed while maintaining minimum reactive power, robustness to external disturbances, and parameter uncertainties. A new finite horizon cost function is integrated, with an integral action introduced in the control law. The main advantage of this technique is that it does not require the measurement and observation of external disturbance as well as parametric uncertainties. The control strategy method has been tested in the MATLAB/Simulink environment with various operating conditions. The results showed good robustness against parameter changes and ensured fast convergence.
Coordinated planning of integrated electricity–heat–gas energy system considering renewable energy consumption
Authors: Li Peng , Jiang Lei , Zhang Chunyan , Wang Jiahao , Wang Nan , Liu Haitao , Dou Zhenlan , Pan Youpeng , Zhou Xichao , Zeng Pingliang
Published: June 2023

Development and utilization of renewable energy is an effective way to deal with global warming. In this context, integrated electricity–heat–gas energy system (IEHGES) provides a new way for the efficient use of renewable energy. Existing IEHGES planning methods focus on the improvement of cost and energy efficiency, while not designing a capacity configuration scheme for high renewable energy penetration scenarios. Here, a coordinated planning method for IEHGES considering renewable energy consumption is proposed. Firstly, electricity/gas/heat storage, electric boiler and power to gas are co‐configured to realize heat‐electricity decoupling operation of combined heat and power, providing flexible and controllable electricity supply for the system. Then, coordinated planning method of IEHGES is proposed which takes into account the coordination of multi‐energy and the coordination between optimal planning and optimal operation. The spare capacity factors are included in the planning and cost of environmental penalty and renewable energy generation subsidy are included in operation cost. In view of the uncertainties, complementary characteristics between electricity, gas and heat supply systems in IEHGES are combined with k‐means to obtain optimal schemes of coordinated planning. Finally, the correctness and validity of the proposed method are verified by three indexes in a case study.
Gate‐controlled series capacitor: A new methodology for mitigating sub‐synchronous resonance in a series‐compensated DFIG‐based wind farm
Authors: Abdeen Mohamed , El‐Dabah Mahmoud A. , Domínguez‐García Jose Luis , Kamel Salah
Published: June 2023

Series‐compensated transmission lines can lead to a sub‐synchronous resonance (SSR) phenomenon at high compensation levels, where the system lacks stability. Gate‐controlled series capacitor (GCSC) is widely used to damp the SSR. Here, an effective and new methodology for damping the SSR is presented. The proposed method aims to alleviate the SSR phenomenon based on estimating both the frequency and the maximum value of the voltage magnitude signal rather than using the Proportional Integral controller. The appropriate turn‐off angle corresponding to the maximum value of the voltage magnitude signal is applied to the GCSC on the condition that the estimated frequency of the voltage magnitude signal is within the range of the SSR frequency. If the estimated frequency of the voltage magnitude signal is out of the range of the SSR frequency, the steady‐state turn‐off angle (1130) is applied to the GCSC. The capability of the proposed method for damping the SSR under various compensation levels, various wind speeds, and sub‐synchronous control interaction (SSCI) is validated by time‐domain simulation and eigenvalue analysis. Compared to the presented latest method for SSR damping using GCSC, all the obtained results demonstrate that the oscillations converge faster when the proposed method is activated.
Restored tufa-depositing streams: a dynamic interface between terrestrial and aquatic ecosystems
Authors: Gulin Beljak Vesna , Vlaičević Barbara , Sertić Perić Mirela , Matoničkin Kepčija Renata
Published: June 2023

Stream periphyton has implications for ecosystem processes, yet little is known about its function in response to restoration efforts. In this study, we compared the taxonomic and functional composition of periphytic ciliates between restored and unrestored (control) streams for two different immersion periods to identify species with indicator potential, identify ciliate functional traits that differ between the two stream types, and examine the effects of environmental parameters on species and functional trait composition. Our study showed that restored streams differed from control streams in terms of species and functional trait composition. In restored streams, better competitors, i.e., omnivorous and bacterivorous free-swimming ciliates predominated, utilizing a wider range of different niches created by the greater microhabitat complexity due to retention of allochthonous organic matter particles and precipitation of calcite crystals, i.e., tufa. One of these species was Platyophrya vorax, which was identified as a species with indicator potential for restored tufa-depositing streams. The relationship between habitat heterogeneity, ciliate functional traits, and organic matter dynamics suggests that restoration of tufa-depositing streams affects ecosystem functioning by influencing its functional components, highlighting the need to investigate such ecosystems through the prism of connected lotic and terrestrial ecosystems rather than isolated ecosystems.