bluuebunny/crossref_metadata_2025 huggingface dataset:
nnSVG for the scalable identification of spatially variable genes using nearest-neighbor Gaussian processes
Authors: Weber Lukas M. , Saha Arkajyoti , Datta Abhirup , Hansen Kasper D. , Hicks Stephanie C.
Published: July 2023

Feature selection to identify spatially variable genes or other biologically informative genes is a key step during analyses of spatially-resolved transcriptomics data. Here, we propose nnSVG, a scalable approach to identify spatially variable genes based on nearest-neighbor Gaussian processes. Our method (i) identifies genes that vary in expression continuously across the entire tissue or within a priori defined spatial domains, (ii) uses gene-specific estimates of length scale parameters within the Gaussian process models, and (iii) scales linearly with the number of spatial locations. We demonstrate the performance of our method using experimental data from several technological platforms and simulations. A software implementation is available athttps://bioconductor.org/packages/nnSVG.
Oxidation kinetics and non-Marcusian charge transfer in dimensionally confined semiconductors
Authors: Xu Ning , Shi Li , Pei Xudong , Zhang Weiyang , Chen Jian , Han Zheng , Samorì Paolo , Wang Jinlan , Wang Peng , Shi Yi , Li Songlin
Published: July 2023

Electrochemical reactions represent essential processes in fundamental chemistry that foster a wide range of applications. Although most electrochemical reactions in bulk substances can be well described by the classical Marcus-Gerischer charge transfer theory, the realistic reaction character and mechanism in dimensionally confined systems remain unknown. Here, we report the multiparametric survey on the kinetics of lateral photooxidation in structurally identical WS2and MoS2monolayers, where electrochemical oxidation occurs at the atomically thin monolayer edges. The oxidation rate is correlated quantitatively with various crystallographic and environmental parameters, including the density of reactive sites, humidity, temperature, and illumination fluence. In particular, we observe distinctive reaction barriers of 1.4 and 0.9 eV for the two structurally identical semiconductors and uncover an unusual non-Marcusian charge transfer mechanism in these dimensionally confined monolayers due to the limit in reactant supplies. A scenario of band bending is proposed to explain the discrepancy in reaction barriers. These results add important knowledge into the fundamental electrochemical reaction theory in low-dimensional systems.
Molecular conformation of polyelectrolytes inside Layer-by-Layer assembled films
Authors: Gutfreund Philipp , Higy Christophe , Fragneto Giovanna , Tschopp Michel , Felix Olivier , Decher Gero
Published: July 2023

Among all methods available for the preparation of multifunctional nanostructured composite materials with remarkable functional properties, Layer-by-Layer (LbL) assembly is currently one of the most widely used techniques due to its environmental friendliness, its ease of use and its versatility in combining a plethora of available colloids and macromolecules into finely tuned multicomponent architectures with nanometer scale control. Despite the importance of these systems in emerging technologies, their nanoscopic 3D structure, and thus the ability to predict and understand the device performance, is still largely unknown. In this article, we use neutron scattering to determine the average conformation of individual deuterated polyelectrolyte chains inside LbL assembled films. In particular, we determine that in LbL-films composed of poly(sodium 4-styrenesulfonate) (PSS) and poly(allylamine hydrochloride) (PAH) multilayers prepared from 2 M sodium chloride solutions the PSS chains exhibit a flattened coil conformation with an asymmetry factor of around seven. Albeit this highly non-equilibrium state of the polymer chain, its density profiles follow Gaussian distributions occupying roughly the same volume as in the bulk complex.
Individual bat virome analysis reveals co-infection and spillover among bats and virus zoonotic potential
Authors: Wang Jing , Pan Yuan-fei , Yang Li-fen , Yang Wei-hong , Lv Kexin , Luo Chu-ming , Wang Juan , Kuang Guo-peng , Wu Wei-chen , Gou Qin-yu , Xin Gen-yang , Li Bo , Luo Huan-le , Chen Shoudeng , Shu Yue-long , Guo Deyin , Gao Zi-Hou , Liang Guodong , Li Jun , Chen Yao-qing , Holmes Edward C. , Feng Yun , Shi Mang
Published: July 2023

Bats are reservoir hosts for many zoonotic viruses. Despite this, relatively little is known about the diversity and abundance of viruses within individual bats, and hence the frequency of virus co-infection and spillover among them. We characterize the mammal-associated viruses in 149 individual bats sampled from Yunnan province, China, using an unbiased meta-transcriptomics approach. This reveals a high frequency of virus co-infection (simultaneous infection of bat individuals by multiple viral species) and spillover among the animals studied, which may in turn facilitate virus recombination and reassortment. Of note, we identify five viral species that are likely to be pathogenic to humans or livestock, based on phylogenetic relatedness to known pathogens or in vitro receptor binding assays. This includes a novel recombinant SARS-like coronavirus that is closely related to both SARS-CoV and SARS-CoV-2. In vitro assays indicate that this recombinant virus can utilize the human ACE2 receptor such that it is likely to be of increased emergence risk. Our study highlights the common occurrence of co-infection and spillover of bat viruses and their implications for virus emergence.
ARIH1 activates STING-mediated T-cell activation and sensitizes tumors to immune checkpoint blockade
Authors: Liu Xiaolan , Cen Xufeng , Wu Ronghai , Chen Ziyan , Xie Yanqi , Wang Fengqi , Shan Bing , Zeng Linghui , Zhou Jichun , Xie Bojian , Cai Yangjun , Huang Jinyan , Liang Yingjiqiong , Wu Youqian , Zhang Chao , Wang Dongrui , Xia Hongguang
Published: July 2023

Despite advances in cancer treatment, immune checkpoint blockade (ICB) only achieves complete response in some patients, illustrating the need to identify resistance mechanisms. Using an ICB-insensitive tumor model, here we discover cisplatin enhances the anti-tumor effect of PD-L1 blockade and upregulates the expression of Ariadne RBR E3 ubiquitin-protein ligase 1 (ARIH1) in tumors. Arih1 overexpression promotes cytotoxic T cell infiltration, inhibits tumor growth, and potentiates PD-L1 blockade. ARIH1 mediates ubiquitination and degradation of DNA-PKcs to trigger activation of the STING pathway, which is blocked by the phospho-mimetic mutant T68E/S213D of cGAS protein. Using a high-throughput drug screen, we further identify that ACY738, less cytotoxic than cisplatin, effectively upregulates ARIH1 and activates STING signaling, sensitizing tumors to PD-L1 blockade. Our findings delineate a mechanism that tumors mediate ICB resistance through the loss of ARIH1 and ARIH1-DNA-PKcs-STING signaling and indicate that activating ARIH1 is an effective strategy to improve the efficacy of cancer immunotherapy.
Macrophage-based therapy for intervertebral disc herniation: preclinical proof-of-concept
Authors: Ribeiro-Machado Cláudia , Santos Susana G. , Amaral Inês A. , Caldeira Joana , Pereira Paulo , Barbosa Mário A. , Cunha Carla
Published: July 2023

Intervertebral disc (IVD) degeneration and herniation is a leading cause of disability globally and a large unmet clinical need. No efficient non-surgical therapy is available, and there is an urgency for minimally invasive therapies capable of restoring tissue function. IVD spontaneous hernia regression following conservative treatment is a clinically relevant phenomenon that has been linked to an inflammatory response. This study establishes the central role of macrophages in IVD spontaneous hernia regression and provides the first preclinical demonstration of a macrophage-based therapy for IVD herniation. A rat model of IVD herniation was used to test complementary experimental setups: (1) macrophage systemic depletion via intravenous administration of clodronate liposomes (Group CLP2w: depletion between 0 and 2 weeks post-lesion; Group CLP6w: depletion between 2 and 6 weeks post-lesion), and (2) administration of bone marrow-derived macrophages into the herniated IVD, 2 weeks post-lesion (Group Mac6w). Herniated animals without treatment were used as controls. The herniated area was quantified by histology in consecutive proteoglycan/collagen IVD sections at 2 and 6 weeks post-lesion. Clodronate-mediated macrophage systemic depletion was confirmed by flow cytometry and resulted in increased hernia sizes. Bone marrow-derived macrophages were successfully administered into rat IVD hernias resulting in a 44% decrease in hernia size. No relevant systemic immune reaction was identified by flow cytometry, cytokine, or proteomic analysis. Furthermore, a possible mechanism for macrophage-induced hernia regression and tissue repair was unveiled through IL4, IL17a, IL18, LIX, and RANTES increase. This study represents the first preclinical proof-of-concept of macrophage-based immunotherapy for IVD herniation.
Manifestation of depression in speech overlaps with characteristics used to represent and recognize speaker identity
Authors: Dumpala Sri Harsha , Dikaios Katerina , Rodriguez Sebastian , Langley Ross , Rempel Sheri , Uher Rudolf , Oore Sageev
Published: July 2023

The sound of a person’s voice is commonly used to identify the speaker. The sound of speech is also starting to be used to detect medical conditions, such as depression. It is not known whether the manifestations of depression in speech overlap with those used to identify the speaker. In this paper, we test the hypothesis that the representations of personal identity in speech, known as speaker embeddings, improve the detection of depression and estimation of depressive symptoms severity. We further examine whether changes in depression severity interfere with the recognition of speaker’s identity. We extract speaker embeddings from models pre-trained on a large sample of speakers from the general population without information on depression diagnosis. We test these speaker embeddings for severity estimation in independent datasets consisting of clinical interviews (DAIC-WOZ), spontaneous speech (VocalMind), and longitudinal data (VocalMind). We also use the severity estimates to predict presence of depression. Speaker embeddings, combined with established acoustic features (OpenSMILE), predicted severity with root mean square error (RMSE) values of 6.01 and 6.28 in DAIC-WOZ and VocalMind datasets, respectively, lower than acoustic features alone or speaker embeddings alone. When used to detect depression, speaker embeddings showed higher balanced accuracy (BAc) and surpassed previous state-of-the-art performance in depression detection from speech, with BAc values of 66% and 64% in DAIC-WOZ and VocalMind datasets, respectively. Results from a subset of participants with repeated speech samples show that the speaker identification is affected by changes in depression severity. These results suggest that depression overlaps with personal identity in the acoustic space. While speaker embeddings improve depression detection and severity estimation, deterioration or improvement in mood may interfere with speaker verification.
Link between the Nankai underthrust turbidites and shallow slow earthquakes
Authors: Park Jin-Oh , Jamali Hondori Ehsan
Published: July 2023

Trench sediments such as pelagic clay or terrigenous turbidites have long been invoked to explain the seismogenic behavior of the megathrust fault (i.e., décollement). Recent numerous studies suggest that slow earthquakes may be associated with huge megathrust earthquake; however, controls on the slow earthquake occurrence remain poorly understood. We investigate seismic reflection data along the Nankai Trough subduction zone to understand the correlations between the spatial distribution of the broad turbidites and along-strike variations in shallow slow earthquakes and slip-deficit rates. This report presents a unique map of regional distribution of the three discrete Miocene turbidites that underthrust apparently along the décollement beneath the Nankai accretionary prism. A comparison of distributions of the Nankai underthrust turbidites, shallow slow earthquakes, and slip-deficit rates enables us to infer that the underthrust turbidites may cause primarily low pore-fluid overpressures and high effective vertical stresses across the décollement, leading to potentially inhibiting the slow earthquake occurrence. Our findings provide a new insight into potential role of the underthrust turbidites for shallow slow earthquakes at subduction zone.
Luminescent materials with dual-mode excitation and tunable emission color for anti-counterfeiting applications
Authors: Jaroch Nina , Czajka Justyna , Szczeszak Agata
Published: July 2023

GdVO4-based dual-mode phosphors were successfully synthesized via a hydrothermal approach. The X-ray diffraction analysis determined the tetragonal structure as well as I41/amd space group of products by comparing with a reference pattern no. ICDD #01-072-0277. The morphology of yielded phosphors was confirmed by transmission electron microscopy and scanning electron microscopy. Detailed spectroscopy analysis revealed tunable luminescence properties with an increasing Yb3+ content in series of GdVO4: x% Yb3+, y% Tm3+, 5% Eu3+ (x = 5, 10, 15, 20; y = 0.1, 0.5, 1) phosphors. For Yb3+, Tm3+, and Eu3+- codoped phosphors we observed bands related to the 1G4 → 3H6 and 1G4 → 3F4 transitions of Tm3+ ions, occurred through the cooperative up-conversion mechanism, where two nearby Yb3+ ions were involved in near-infrared absorption. Moreover, the GdVO4: 20% Yb3+, 0.5% Tm3+, 5% Eu3+ showed the most outstanding color tunability from red color (x = 0.6338, y = 0.3172) under UV to blue color (x = 0.2640, y = 0.1988) under NIR excitation, which can be applied in anti-counterfeiting activity.
Prevalence of surgical site infections after open reduction and internal fixation for mandibular fractures: a systematic review and meta-analysis
Authors: Kostares Evangelos , Kostare Georgia , Kostares Michael , Kantzanou Maria
Published: July 2023

Our study aims to estimate the prevalence of surgical site infections (SSI) following open reduction and internal fixation (ORIF) for mandibular fractures and to determine the effect of potential moderators on it. A systematic literature search (Medline and Scopus databases) was conducted independently by two reviewers. The pooled prevalence with 95% confidence intervals was estimated. Quality assessment as well as outlier and influential analysis were performed. Additionally, subgroup and meta-regression analysis were conducted in order the effect of categorical and continuous variables on the estimated prevalence to be investigated. In total, seventy-five eligible studies (comprising a sum of 5825 participants) were included in this meta-analysis. The overall prevalence of SSI following ORIF for mandibular fractures was estimated as high as 4.2% (95% CI 3.0–5.6%) with significant heterogeneity between studies. One study was identified to be critically influential. In the subgroup analysis, the prevalence was 4.2% (95% CI 2.2–6.6%) among studies conducted in Europe, 4.3% (95% CI 3.1–5.6%) among studies conducted in Asia and higher among those conducted in America (7.3%) (95% CI 4.7–10.3%). It is important for healthcare professionals to be aware of the etiology of these infections, despite the relatively low rate of SSI in these procedures. However, further, well-designed prospective and retrospective studies need to be conducted in order this issue to be fully clarified.
Biocompatible topical delivery system of high-molecular-weight hyaluronan into human stratum corneum using magnesium chloride
Authors: Fujii Mika Y. , Okishima Anna , Ichiwata Hiroko S. , Oka Takashi
Published: July 2023

Non-invasive delivery of hyaluronan into the stratum corneum (SC) is extremely difficult because of its high molecular weight and the strong barrier of the SC. We developed a safe method of administering hyaluronan into the human SC and determined its penetration route. The amount of hyaluronan that penetrated into the SC was 1.5–3 times higher in the presence of magnesium chloride hexahydrate (MgCl2) than other metal chlorides. The root-mean-square radius of hyaluronan in water decreased with the addition of MgCl2. Moreover, MgCl2 solutions maintained their dissolved state on a plastic plate for a long time, suggesting that size compaction and inhibition of hyaluronan precipitation on the skin enhanced hyaluronan into the SC. Our results also strongly suggest that an intercellular route contributes to the penetration of hyaluronan from the upper to the middle layer of the SC. No disruption to the SC barrier was observed after continuous use once a day for 1 month, demonstrating the potential of our method for the safe, topical application of hyaluronan.
Charge transfer and X-ray absorption investigations in aluminium and copper co-doped zinc oxide nanostructure for perovskite solar cell electrodes
Authors: Kaur Mandeep , Gautam Sanjeev , Chae Keun Hwa , Klysubun Wantana , Goyal Navdeep
Published: July 2023

This study explores influence of charge transfer and X-ray absorption characteristics in aluminum (Al) and copper (Cu) co-doped zinc oxide (ZnO) nanostructures for perovskite solar cell electrodes. Sol-gel technique was employed to synthesize the nanostructures, and their optical and morphological properties were investigated. X-ray diffraction (XRD) analysis confirmed high crystallinity and also single-phase composition of all the samples, particularly up to 5% Al co-doping. Field emission scanning electron microscopy (FESEM) exhibited the formation of pseudo-hexagonal wurtzite nanostructure and the transition to nanorods at 5% Al co-doping. Diffuse reflectance spectroscopy indicated a reduction in the optical band gap of co-doped zinc oxide from 3.11 to 2.9 eV with increasing Al doping. Photoluminescence spectra (PL) exhibited a decrease in peak intensity, suggesting enhanced conductivity in ZnO, also confirmed from I-V measurements. Near-edge X-ray absorption fine structure (NEXAFS) analysis depicts that charge transfer from Al to oxygen (O) species enhanced the photosensing properties of the nanostructure, which was supported by FESEM micrographs and PL spectra. Furthermore, the study discovered that 5% Al co-doping significantly reduced the density of emission defects (deep-level) in Cu–ZnO nanostructure. These findings highlight the potential of Cu and Al co-doped ZnO materials for perovskite solar cell electrodes, as their improved optical and morphological properties resulting from charge transfer could enhance device performance. The investigation of charge transfer and X-ray absorption characteristics provides valuable insights into the underlying mechanisms and behaviors of the co-doped ZnO nanostructures. However, further research is required to delve into the intricate hybridization resulting from charge transfer and explore the broader impact of co-doping on other properties of the nanostructures, enabling a comprehensive understanding of their potential applications in perovskite solar cells.
Hydroxyapatite coatings on cement paste as barriers against radiological contamination
Authors: Cumberland Susan A. , Hamilton Andrea , Renshaw Joanna C. , Tierney Kieran M. , Lunn Rebecca J.
Published: July 2023

A novel method for precipitating hydroxyapatite (HAp) onto cement paste is investigated for protecting concrete infrastructure from radiological contamination. Legacy nuclear sites contain large volumes of contaminated concrete and are expensive and dangerous to decommission. One solution is to ‘design for decommissioning’ by confining contaminants to a thin layer. Current layering methods, including paints or films, offer poor durability over plant lifespans. Here, we present a mineral-HAp-coated cement, which innovatively serves as a barrier layer to radioactive contaminants (e.g. Sr, U). HAp is shown to directly mineralise onto a cement paste block in a layer several microns thick via a two-step process: first, applying a silica-based scaffold onto a cement paste block; and second, soaking the resulting block in a PO4-enriched Ringer’s solution. Strontium ingression was tested on coated and uncoated cement paste (~ 40 × 40 × 40mm cement, 450 mL, 1000 mg L− 1 Sr) for a period of 1-week. While both coated and uncoated samples reduced the solution concentration of Sr by half, Sr was held within the HAp layer of coated cement paste and was not observed within the cement matrix. In the uncoated samples, Sr had penetrated further into the block. Further studies aim to characterise HAp before and after exposure to a range of radioactive contaminants and to develop a method for mechanical layer separation.
Beneficial sterols in selected edible insects and their associated antibacterial activities
Authors: Mudalungu Cynthia Muhavi , Mokaya Hosea Oginda , Tanga Chrysantus Mbi
Published: July 2023

Edible insects are increasingly gaining popularity as research reveals multiple benefits. However, the rediscovery of natural products from insects as medicinal agents has received limited attention. This study aimed at evaluating the diversity of sterols in extracts of nine edible insects and potential antibacterial activities. Dichloromethane extracts of these insects were analyzed using gas chromatography–mass spectrometry to identify important sterols, followed by evaluation of their anti-bacterial activities. Nineteen sterols were identified with the highest recorded in African fruit beetle [Pachnoda sinuata (47.37%)], crickets [Gryllus bimaculatus (36.84%) and Scapsipedus icipe (31.58%)]. Cholesterol was the most prevalent, except in black soldier fly (Hermetia illucens). Bioactivity revealed S. icipe as the most potent extract against Escherichia coli and Bacillus subtilis whereas G. bimaculatus was highest against Methicillin-susceptible Staphylococcus aureus 25923. These findings unravels the diversity of sterols in edible insects and their possible application in food, pharmaceutical and cosmetic industries.
Synthesis, characterization, and lead removal efficiency of orange peel powder and orange peel powder doped iron (III) oxide-hydroxide
Authors: Praipipat Pornsawai , Ngamsurach Pimploy , Joraleeprasert Tanyaporn
Published: July 2023

Lead contamination in wastewater causes toxicity to aquatic life, the environment, and water quality, and it causes many human dysfunctions and diseases. Thus, it is necessary to remove lead from wastewater before discharging it into the environment. Orange peel powder (OP) and orange peel powder doped iron (III) oxide-hydroxide (OPF) were synthesized, characterized, and investigated lead removal efficiencies by batch experiments, adsorption isotherms, kinetics, and desorption experiments. The specific surface area of OP and OPF were 0.431 and 0.896 m2/g, and their pore sizes were 4.462 and 2.575 nm, respectively which OPF had a higher surface area than OP, whereas its pore size was smaller than OP. They were semi-crystalline structures that presented the specific cellulose peaks, and OPF also detected the specific iron (III) oxide-hydroxide peaks. The surface morphologies of OP and OPF were irregular and porous surfaces. Carbon (C), oxygen (O), calcium (Ca), O–H, C–H, C=C, C–O, C=O, and –COOH were observed in both materials. The pHpzcof OP and OPF were 3.74 and 4.46. For batch experiments, OPF demonstrated a higher lead removal efficiency than OP because of spending less on material dosage than OP, and OPF demonstrated high lead removal by more than 95% while OP could remove lead at only 67%. Thus, the addition of iron (III) oxide-hydroxide helped to increase material efficiency for lead adsorption. Both materials corresponded to the Freundlich model relating to physiochemical adsorption, and they also corresponded to a pseudo-second-order kinetic model relating to a chemisorption process. Moreover, both materials could be reusable for more than 5 cycles for lead adsorption of more than 55%. Therefore, OPF was potential material to apply for lead removals in industrial applications.
Comparative transcriptome analysis of unfractionated peripheral blood leukocytes after exercise in human
Authors: Nie Mingkun , Liu Qingling , Jia Ruoling , Li Zhuoyi , Li Xiaoru , Meng Xiangtao
Published: July 2023

Exercise has profound but variable effects on the immune system. However, only limited information exists about the changes of exercise-induced gene expression in whole immune cells. The aim of this study is to unravel the potential molecular changes of genes which are related to immunity after exercise. The raw expression data and corresponding clinical of GSE18966 were downloaded from Gene Expression Omnibus database. The differentially expressed genes between control group and treat groups were performed by in-house developed perl scripts. A total of 83 differentially expressed genes (DEGs) (|log2 FC|> 1, FDR < 0.05) were identified between control and treat group 1 (0 h after exercise), 128 DEGs (|log2 FC|> 1, FDR < 0.05) between control and treat group 2 (4 h after exercise), and there was no significant difference between control and treat group 3 (20 h after exercise). Next, we identified 51 overlapping genes between treat group 1 (0 h after exercise) and treat group 2 (4 h after exercise) using Venn analysis. Protein–protein interaction (PPI) network was constructed by Cytoscape 3.7.2, and nine hub genes (S100A12, FCGR3B, FPR1, VNN2, AQP9, MMP9, OSM, NCF4, HP) were identified. Finally, 9 hub genes were identified as the potential biomarkers of exercise using validation set (GSE83578) verification analysis. These hub genes might serve as potential molecular targets of monitoring exercise and training processes in the further.
Enhancing saltiness perception by chemosensory interaction: an fMRI study
Authors: Faridi Esfanjani Afshin , Mohebbi Mohebbat
Published: July 2023

Neuroimaging studies that focus on taste, odor, and their interactions can specify their capability to elicit brain regions responsible for flavor perception and reward. Such information would be useful for formulating healthy food products, such as low salt food. In this study, a sensory experiment was conducted to investigate the capability of cheddar cheese odor, monosodium glutamate (MSG), and their interactions to enhance saltiness perception and preference of NaCl solutions. The activated brain areas in response to odor-taste-taste interactions were then investigated using an fMRI study. The results of the sensory tests showed that saltiness and preference of NaCl solutions were enhanced in the presence of MSG + cheddar cheese odor. According to the fMRI study, the stimulus with a higher salty rate activated the rolandic operculum, and the stimulus with a higher preference activated the rectus, medial orbitofrontal cortex, and substantia nigra. Moreover, the activation of multiple regions, such as the orbitofrontal cortex (OFC), anterior cingulate cortex (ACC), temporal pole, and amygdala was observed in response to (cheddar cheese odor + MSG + NaCl) minus (odorless air + NaCl).
Aroma characterization and consumer acceptance of four cookie products enriched with insect (Ruspolia differens) meal
Authors: Ochieng Brian O. , Anyango Joseph O. , Nduko John M. , Mudalungu Cynthia M. , Cheseto Xavier , Tanga Chrysantus M.
Published: July 2023

This research aims to advance knowledge on the impact of four processing methods on volatile compounds from insect-based baked products (cookies) to provide insights on consumer acceptance. Samples were exposed to double step enzyme digestive test, volatiles characterized through headspace analysis, while semi-trained panelists were recruited for the sensory test. Blanched and boiled samples of R. differens had considerably higher digestibility (83.42% and 81.61%, respectively) (p < 0.05) than toasted and deep-fried samples. Insect-based cookie products integrated with blanched and boiled R. differens meal expressed higher digestibility (80.41% and 78.73%, respectively) that was comparable to that of commercial cookie products (control cookies-CTRC with 88.22%). Key volatile compounds common between the various cookie products included, nonanal, octanal, methyl-pyrazine, hexanal, tetradecane, 2-pentylfuran, 2-heptanone, 2E-octenal, 2E-heptenal and dodecane. Among the volatile compounds, pleasant aromas observed were 2E,4E-dodecadienal, pentanal, octanal, methyl pyrazine, furfurals, benzaldehyde, and 2-pentyl furan, which were more pronounced in cookies fortified with boiled, toasted and deep-fried R. differens meal. There was a greater resemblance of sensory characteristics between control cookies and those fortified with deep-fried R. differens. These findings underscore the significant influence of aroma compounds on consumer acceptability and preference for insect-based baked food products, which allows for future process-modification of innate aromas of insect-based meals to produce high-valued pleasant consumer driven market products.
Photocatalytic-ozonation process in oxytetracycline degradation in aqueous solution: composite characterization, optimization, energy consumption, and by-products
Authors: Mehralipour Jamal , Darvishali Siamak , Bagheri Susan , Kermani Majid
Published: July 2023

In this research, we synthesized BiOI/NH2-MIL125(Ti) via solvo-thermal method to investigation of oxytetracycline (OTC) degradation in photocatalytic-ozonation process. The results of the XRD, FESEM, EDAX, FTIR, UV–Vis, TEM, XPS, and BET analyzes indicated that the catalyst BiOI/MOF was synthesized with excellent quality. Design of experiment (DOE), ANOVA statistical analysis, interaction of parameters and predicated optimum condition was done based on CCD. The effect of catalyst dose (0.25–0.5 mg/l), pH (4–8), reaction time (30–60 min) and O3 concentration (20–40 mN) at 10 mg/l of OTC on PCO/O3 process was optimized. Based on P-value and F-value coefficients (0.0001, 450.3 respectively) the model of OTC (F-value = 2451.04) and (P-value = 0.0001) coefficients, the model of COD removal was quadratic model. Under optimum condition pH 8.0, CD = 0.34 mg/l, RT = 56 min and O3 concentration = 28.7 mN, 96.2 and 77.2% of OTC and COD removed, respectively. The reduction of TOC was 64.2% in optimal conditions, which is less than the reduction of COD and OTC. The kinetics of reaction followed pseudo-first-order kinetic (R2 = 0.99). Synergistic effect coefficient was 1.31 that indicated ozonation, presence of catalyst and photolysis had a synergistic effect on OTC removal. The stability and reusability of the catalyst in six consecutive operating steps was acceptable and 7% efficiency decreased only. Cations (Mg2+, and Ca2+), SO42− had no influence on performing the process, but other anions, organic scavengers, and nitrogen gas, had an inhibitory effect. Finally, the OTC degradation probably pathway includes direct and indirect oxidation that decarboxylation, hydroxylation, demethylation and were the main mechanism in OTC degradation.
From superhydrophilicity to superhydrophobicity: high-resolution neutron imaging and modeling of water imbibition through porous surfaces treated with engineered nano-coatings
Authors: Zemajtis Filip , Hasan Abul Borkot Md Rafiqul , Yetik Okan , Trtik Pavel , Pillai Krishna M. , Sobolev Konstantin
Published: July 2023

This paper reports on a superhydrophilic to superhydrophobic transformation of TiO2 nanoparticles doped zinc phosphate coating systems when a hydrophobic agent is applied. The objective of the reported research was to demonstrate the feasibility of a neutron imaging technique for evaluating the performance of the proposed nano-coating system and reveal the differences in water ingress mechanisms which are specific to plain, superhydrophilic, overhydrophobic, and superhydrophobic specimens. The engineered nano-coatings were designed to improve hydrophobic response with inducing the required roughness pattern and introducing the photocatalytic performance. The effectiveness of the coatings was assessed using high-resolution neutron imaging (HR-NI), SEM, CLSM, and XRD techniques. High-resolution neutron imaging revealed that the superhydrophobic coating effectively prevents water ingress into the porous ceramic substrate, whereas water imbibition was observed for superhydrophilic coating during the test duration. The moisture transport kinetics was modeled based on the Richards equation for plain ceramic and superhydrophilic specimens using obtained penetration depth values from HR-NI. SEM, CLSM, and XRD studies confirm the desired TiO2-doped zinc phosphate coatings with increased surface roughness, photocatalytic reactivity, and chemical bonding. The research results demonstrated that a two-layer superhydrophobic system is capable of creating effective water barriers on the surface with contact angles of 153°, which remained effective even after surface damage.
Organic/inorganic phosphorus partition and transformation in long-term paddy cultivation in the Pearl River Delta, China
Authors: Tang Xian , Liu Hongyi , Qin Hailong , Zhao Jianrong , Wang Hong , Li Bo , Lu Ying
Published: July 2023

Identification and quantification of different soil phosphorus (P) fractions level are important for improving agricultural productivity and developing sustainable management practices in these agricultural soils under long-term cultivation. However, few studies have been conducted to investigate P fractions level and their transformation in these soils. This study was conducted to characterize P fractions as affected by different paddy cultivation ages (200, 400-yr and 900-yr) among soils of the Pearl River Delta Plain in China. A sequential chemical fractionation scheme and 31P nuclear magnetic resonance spectroscopy (31P NMR) were employed to quantify various P fractions and speciation. Results showed soil easily-labile P, moderately-labile P and non-labile P had a positive relationship with total P (TP) and available P (AP). Analysis with 31P NMR spectroscopy revealed that inorganic P including orthophosphate (Ortho-P) and pyrophosphate (Pyro-P) increased with cultivation age, while organic species monoester phosphate (Mono-P) and diester phosphate (Diester-P) decreased. Moreover, acid phosphatase (AcP), neutral phosphatase (NeP), exchangeable Ca and sand contents are the main factors that affected the transformation of soil P composition, and non-labile P (Dil.HCl-Pi) and Pyro-P had significant contribution to soil P availability by affecting P activation coefficient. Therefore, long-term paddy cultivation, influenced by these soil parameters including NeP, AcP, exchangeable Ca and sand, accelerated the transformation of soil organic P/non-labile P to inorganic P.
Liquid tumor microenvironment enhances WNT signaling pathway of peritoneal metastasis of gastric cancer
Authors: Xu Huawei , Hao Zhibin , Wang Yujie , Zhang Deng , Li Jie , Chen Ling , Yao Ninghua , Qian Binbin , Peng Xiaobo , Zhan Xianbao
Published: July 2023

Gastric cancer remains one of the most prevalent tumors worldwide and peritoneal metastasis is responsible for approximately 60% of death in advanced gastric cancer patients. However, the underlying mechanism of peritoneal metastasis is poorly understood. We have established organoids derived from malignant ascites (MA) of gastric cancer patients and noticed that MA supernatant could strongly increase the colony formation of organoids. Thus, we realized the interaction between exfoliated cancer cells (ECCs) and liquid tumor microenvironment contributes to peritoneal metastasis. Further, we designed a medium component control test which proved that exosomes derived from MA could not enhance the growth of organoids. Using Immunofluorescence and confocal imaging as well as dual-luciferase reporter assay, our data showed WNT signaling pathway was upregulated by high concentrations of WNT ligands (wnt3a and wnt5a), which was verified by ELISA. Besides, suppressing WNT signaling pathway diminished the growth promoting function of MA supernatant. This result implicated WNT signaling pathway as a potential therapeutic target for peritoneal metastasis of gastric cancer.
Bacillus coagulans MZY531 alleviates intestinal mucosal injury in immunosuppressive mice via modulating intestinal barrier, inflammatory response, and gut microbiota
Authors: Zhao Zhongwei , Sun Manqing , Cui Xinmu , Chen Jiaxin , Liu Chunhong , Zhang Xuewu
Published: July 2023

Bacillus coagulans has a potential role in improving intestinal injury. However, the specific mechanism is still unclear. In this study, the protective effect of B. coagulans MZY531 on intestinal mucosa injury in cyclophosphamide (CYP)-induced immunosuppressed mice were investigated. The results indicated that the immune organ (thymus and spleen) indices of B. coagulans MZY531 treatment groups were significantly increased compared to the CYP group. B. coagulans MZY531 administration promotes the expression of immune proteins (IgA, IgE, IgG, and IgM). B. coagulans MZY531 could upregulate the ileum levels of IFN-γ, IL-2, IL-4, and IL-10 in immunosuppressed mice. Moreover, B. coagulans MZY531 restores the villus height and crypt depth of the jejunum and alleviates injury of intestinal endothelial cells caused by CYP. Furthermore, the western blotting results showed that B. coagulans MZY531 ameliorated CYP-induced intestinal mucosal injury and inflammatory via up-regulates the ZO-1 pathway and down-regulates the expression of the TLR4/MyD88/NF-κB pathway. After treatment with B. coagulans MZY531, the relative abundance of Firmicutes phylum was dramatically increased, as well as the genera of Prevotella and Bifidobacterium, and reducing harmful bacteria. These findings suggested that B. coagulans MZY531 has a potential immunomodulatory activity on chemotherapy-induced immunosuppression.
Interannual fires as a source for subarctic summer decadal climate variability mediated by permafrost thawing
Authors: Kim Ji-Eun , Yamaguchi Ryohei , Rodgers Keith B. , Timmermann Axel , Lee Sun-Seon , Stein Karl , Danabasoglu Gokhan , Lamarque Jean-Francois , Fasullo John T. , Deser Clara , Rosenbloom Nan , Edwards Jim , Stuecker Malte F.
Published: July 2023

Climate model simulations run under the Coupled Model Intercomparison Project Phase 6 (CMIP6) use an inhomogeneous biomass burning aerosol (BBA) emission dataset, which exhibits pronounced interannual variability from 1997–2014 due to the infusion of satellite data. Using the Community Earth System Model version 2 Large Ensemble (CESM2-LE) with original and smoothed CMIP6 BBA forcings, we show that the CMIP6 data inhomogeneity causes spurious decadal subarctic land warming. During years with reduced aerosol concentrations, increased solar radiation can trigger abrupt subarctic permafrost thawing, increased soil water drainage, upper soil drying, and subsequent surface warming. This slow process, which is further amplified by nonlinear cloud-aerosol interactions, cannot be completely offset during years of increased aerosol fluxes, thereby reddening surface temperature spectra in response to large-amplitude interannual aerosol forcing. More generally, our CESM2 experiments identify a pathway for generating decadal variability in high latitudes, involving interannual shortwave forcing and slow nonlinear soil responses.
Continuing large-scale global trade and illegal trade of highly hazardous chemicals
Authors: Zou Hongyan , Wang Tao , Wang Zhong-Liang , Wang Zhanyun
Published: July 2023

Pollution caused by anthropogenic chemicals contributes to interlinked planetary crises, together with climate change and biodiversity loss. One of the key treaties adopted to regulate the transboundary movements of hazardous chemicals is the Rotterdam Convention, which created a framework for countries to better handle the international trade of certain hazardous chemicals. To date, research examining the effectiveness of the Convention has been scarce. Here we analysed 66,156 trade records from the United Nations Comtrade database using a workflow that comprehensively addresses data-quality issues in the database. We found that for 46 listed chemicals, at least 64.5 megatonnes were traded in 2004–2019, and illegal trade was prevalent, reaching at least 25,324 trade records and 25.7 megatonnes. For over 70% of the listed chemicals, the Convention has played a positive role, but large-scale trade of some well-known chemicals such as tetraethyl and tetramethyl lead continues. Concerted efforts are warranted to improve how highly hazardous chemicals are traded globally, including enhancing enforcement of the Convention, addressing illegal trade and swiftly listing problematic chemicals (for example, chrysotile asbestos) in the Convention.
Highly accurate and large-scale collision cross sections prediction with graph neural networks
Authors: Guo Renfeng , Zhang Youjia , Liao Yuxuan , Yang Qiong , Xie Ting , Fan Xiaqiong , Lin Zhonglong , Chen Yi , Lu Hongmei , Zhang Zhimin
Published: July 2023

The collision cross section (CCS) values derived from ion mobility spectrometry can be used to improve the accuracy of compound identification. Here, we have developed the Structure included graph merging with adduct method for CCS prediction (SigmaCCS) based on graph neural networks using 3D conformers as inputs. A model was trained, evaluated, and tested with >5,000 experimental CCS values. It achieved a coefficient of determination of 0.9945 and a median relative error of 1.1751% on the test set. The model-agnostic interpretation method and the visualization of the learned representations were used to investigate the chemical rationality of SigmaCCS. An in-silico database with 282 million CCS values was generated for three different adduct types of 94 million compounds. Its source code is publicly available at https://github.com/zmzhang/SigmaCCS. Altogether, SigmaCCS is an accurate, rational, and off-the-shelf method to directly predict CCS values from molecular structures.
Approaching a thermal tipping point in the Eurasian boreal forest at its southern margin
Authors: Rao Mukund Palat , Davi Nicole K. , Magney Troy S. , Andreu-Hayles Laia , Nachin Baatarbileg , Suran Byambagerel , Varuolo-Clarke Arianna M. , Cook Benjamin I. , D’Arrigo Rosanne D. , Pederson Neil , Odrentsen Lkhagvajargal , Rodríguez-Catón Milagros , Leland Caroline , Burentogtokh Jargalan , Gardner William R. M. , Griffin Kevin L.
Published: July 2023

Climate change is increasing the intensity and frequency of extreme heat events. Ecological responses to extreme heat will depend on vegetation physiology and thermal tolerance. Here we report thatLarix sibirica, a foundation species across boreal Eurasia, is vulnerable to extreme heat at its southern range margin due to its low thermal tolerance (Tcritof photosynthesis: ~ 37–48 °C). Projections from CMIP6 Earth System Models (ESMs) suggest that leaf temperatures might exceed the 25thpercentile ofLarix sibirica’s Tcritby two to three days per year within the next two to three decades (by 2050) under high emission scenarios (SSP3-7.0 and SSP5-8.5). This degree of warming will threaten the biome’s continued ability to assimilate and sequester carbon. This work highlights that under high emission trajectories we may approach an abrupt ecological tipping point in southern boreal Eurasian forests substantially sooner than ESM estimates that do not consider plant thermal tolerance traits.
Dichotomy between freshwater and heat flux effects on oceanic conveyor belt stability and global climate
Authors: Hu Aixue , Meehl Gerald A. , Abe-Ouchi Ayako , Han Weiqing , Otto-Bliesner Bette , He Feng , Wu Tongwen , Rosenbloom Nan , Strand Warren G. , Edwards James
Published: July 2023

The Atlantic meridional overturning circulation is an important global-scale oceanic circulation, and its changes may be responsible for past abrupt climate change events. By using two versions of a coupled climate model, here we show that the stability of this circulation depends not only on the background climate, but also on the type of primary external forcing: freshwater vs. greenhouse gases. When freshwater forcing is dominant, hysteresis of this circulation (an abrupt collapse/reactivation) becomes possible only under simulated glacial conditions with closed Bering Strait. Under present day and future conditions, both freshwater and greenhouse gas forcings could collapse this circulation, but only greenhouse gas forcing produced a bi-stable equilibrium state comparable to abrupt climate change. Our results demonstrate that the Bering Strait status (open vs. closed) may facilitate or prohibit the existence of this circulation’s hysteresis, irrespective of the background climate conditions, but is directly related to the primary forcing.
Introduction of a multilayered fluorescent nanofilm into lateral flow immunoassay for ultrasensitive detection of Salmonella typhimurium in food samples
Authors: Yu Qing , Xia Xuan , Xu Changyue , Wang Wenqi , Zheng Shuai , Wang Chongwen , Gu Bing , Wang Chaoguang
Published: July 2023

An ultrasensitive LFIA based on multilayered fluorescent nanofilm-guided signal amplification was developed for the rapid and quantitative determination of Salmonella typhimurium in complex food samples.
Construction of unsymmetrical heterobiaryls via the Cp*Rh(iii)-catalysed C–H/C–H coupling of heteroarenes
Authors: Parmar Diksha , Sharma Tamanna , Sharma Akhilesh K. , Sharma Upendra
Published: July 2023

Herein, a concise method for the Rh(iii)-catalyzed, directing-group-assisted C–H/C–H cross-coupling of N-heterocycles with other heteroarenes is disclosed for the synthesis of unsymmetrical heterobiaryl compounds in good to excellent yields.
Rare-earth metal-N6 centers in porous carbon for electrocatalytic CO2 reduction
Authors: Zeng Xianshi , Liao Luliang , Wang Meishan , Wang Hongming
Published: July 2023

Computational screening of rare-earth metal-N6 centers in porous carbon as efficient catalysts for carbon dioxide reduction reaction.
Ga–Pt supported catalytically active liquid metal solutions (SCALMS) prepared by ultrasonication – influence of synthesis conditions onn-heptane dehydrogenation performance
Authors: Sebastian Oshin , Al-Shaibani Asem , Taccardi Nicola , Sultan Umair , Inayat Alexandra , Vogel Nicolas , Haumann Marco , Wasserscheid Peter
Published: July 2023

The preparation of supported catalytically active metal solutions has been investigated using ultrasonication. Sonication conditions and solvents influence the Ga droplet formation and hence the catalytic performance in heptane dehydrogenation.
Upgrading the reflux method as novel route for competitive catalysts in alkane selective oxidation
Authors: Massó Ramírez Amada , de Arriba Agustín , Ivars-Barceló Francisco , Ykrelef Adel , Solsona Benjamín , López Nieto José M.
Published: July 2023

Optimized reflux synthesis of MoVTeNbo catalysts.
CoP nanoparticles embedded in three-dimensional porous network-like structured N, O co-doped carbon nanofibers as an effective bi-functional electrocatalyst for rechargeable zinc–air batteries
Authors: Deng Nanping , Zeng Qiang , Feng Yang , Gao Hongjing , Wang Gang , Yan Jing , Zheng Tinglu , Liu Yong , Kang Weimin , Cheng Bowen
Published: July 2023

ZIF-67-derived CoP nanoparticles embedded in three-dimensional porous network-like structured N, O co-doped carbon nanofibers as an efficient ORR/OER bi-functional electrocatalyst.
A transferable double exponential potential for condensed phase simulations of small molecules
Authors: Horton Joshua T. , Boothroyd Simon , Behara Pavan Kumar , Mobley David L. , Cole Daniel J.
Published: July 2023

The Open Force Field software stack is employed to automatically train a transferable, small molecule force field, based on the double exponential functional form, on over 1000 experimental condensed phase physical properties.
Adding open spectral data to MassBank and PubChem using open source tools to support non-targeted exposomics of mixtures
Authors: Elapavalore Anjana , Kondić Todor , Singh Randolph R. , Shoemaker Benjamin A. , Thiessen Paul A. , Zhang Jian , Bolton Evan E. , Schymanski Emma L.
Published: July 2023

Adding mass spectra from complex mixtures of chemicals relevant for exposomics to open spectral libraries such as MassBank and chemical databases like PubChem empowers identification efforts for non-target high resolution mass spectrometry workflows.