bluuebunny/crossref_metadata_2025 huggingface dataset:
Thermal neuromodulation using pulsed and continuous infrared illumination in a penicillin-induced acute epilepsy model
Authors: Ismaiel Ebrahim , Fiáth Richárd , Szabó Ágnes , Horváth Ágoston Csaba , Fekete Zoltán
Published: September 2023

Infrared neuromodulation (INM) is a promising neuromodulation tool that utilizes pulsed or continuous-wave near-infrared (NIR) laser light to produce an elevation of the background temperature of the neural tissue. The INM-based cortical heating has been proven as an effective modality to induce changes in neuronal activities. In this paper, we investigate the effect of INM-based cortical heating on the characteristics of interictal epileptiform discharges (IEDs) induced by penicillin in anesthetized rats. Cortical heating was conducted using a NIR laser light guided through a needle-like silicon-based waveguide probe. We detected penicillin-induced cortical IEDs from preprocessed micro-electrocorticography ($$\mu$$
μ
ECoG) recordings, then we assessed changes in various temporal and spectral features of IEDs due to INM. Our findings show that the fast cortical heating phase obtained with continuous-wave NIR light is highly associated with a reduction of IED amplitudes, small but significant changes in the negative amplitude of IEDs compared with the baseline, and a proportional increase in the power of frequency bands related to delta/theta (2–8 Hz) and gamma (28–80 Hz) oscillations. Furthermore, a low rate of cortical heating with pulsed NIR illumination has a more inhibitory impact on the sharp negative polarity of IEDs. Our findings do not indicate a clear reduction in the frequency of IEDs in anesthetized rodents. In contrast, 2–4 min of continuous laser illumination leads to a notable increase in IED frequency. This effect of INM could potentially restrict its use in therapeutic applications related to epilepsy. However, the thermal effect of INM on cortical neurons induces changes in other characteristics of IEDs, which could prove beneficial for future applications.
Experimental investigation and quantitative prediction in interference-fit size of CFRP riveted joints under a transversal ultrasonic vibration-assisted riveting
Authors: Wang Xingxing , Shi Yunyang , Pan Haicheng , Chen Yegao
Published: September 2023

In this study, a transversal ultrasonic vibration-assisted riveting (TUVAR) process was developed to improve the uniformity of CFRP riveted lap joint interference-fit size, which provided a possibility for the quantization of riveted joint interference-fit sizes. The relationship between the process parameters of vibration amplitude, vibration duration, and roughness with interference-fit sizes by algorithms, through the minimum coefficient variance of interference-fit size (ICV-min) to confirm the riveting process parameters of the quantized average interference-fit sizes (IA). The experimental verification results showed that the mean absolute percentage error of measured IA and predicted IA is less than 10%. Furthermore, the tensile tests were carried out to investigate the effect of interference-fit size {1.4%, 1.6%, 1.8%, and 2.0%} on mechanical performances of CFRP riveted lap joints by TUVAR, and the tensile strength presents first-up then down with the interference-fit size increase, the maximum ultimate tensile strength is the riveted lap joint with the interference-fit size of 2.0%. Hence, the quantitative optimization method can well predict the riveting process parameters corresponding to the most uniform interference-fit size.
Clinical comparative analysis of culture-proven bacterial keratitis according to prior topical steroid use: a retrospective study in a tertiary referral center of South Korea
Authors: Cho Chan-Ho , Choi Nam Hyeon , Lee Sang-Bumm
Published: September 2023

This study analyzed the clinical characteristics of patients exposed to topical steroids before bacterial keratitis diagnosis (the prior topical steroid use, PS group), and compared these with those of the non-exposed group (the no prior topical steroid use, NPS group). We retrospectively analyzed 194 patients (PS, 34; NPS, 160) with culture-proven bacterial keratitis between 2007 and 2016. The microbiological profiles, epidemiology, predisposing factors, clinical characteristics, and treatment outcomes of PS and NPS were compared, and the risk factors for surgical intervention were evaluated. Pseudomonas spp. and Staphylococcus spp. were the most common isolates in PS and NPS, respectively, and no significant difference in the strain distribution between the two groups were observed. Significant differences were observed between PS and NPS for previous ocular surface disease (41.2%: 23.8%), initial BCVA < 0.1 (70.6%: 49.4%), epithelial defect size ≥ 5 mm2 (64.7%: 41.2%), epithelial healing time > 14 days (55.9%: 37.3%), and surgical intervention (23.5%: 8.8%). Prior topical steroid use, strong steroid use, and long-term steroid use groups were included in significant risk factors for surgical intervention. Previous exposure to topical steroids before the diagnosis of bacterial keratitis was associated with a worse initial clinical presentation and treatment outcomes. Additional multicenter studies should be conducted in the future.
TNFα induced by DNA-sensing in macrophage compromises retinal pigment epithelial (RPE) barrier function
Authors: Twarog Michael , Schustak Joshua , Xu YongYao , Coble Matthew , Dolan Katie , Esterberg Robert , Huang Qian , Saint-Geniez Magali , Bao Yi
Published: September 2023

Increasing evidence suggests that chronic inflammation plays an important role in the pathogenesis of age-related macular degeneration (AMD); however, the precise pathogenic stressors and sensors, and their impact on disease progression remain unclear. Several studies have demonstrated that type I interferon (IFN) response is activated in the retinal pigment epithelium (RPE) of AMD patients. Previously, we demonstrated that human RPE cells can initiate RNA-mediated type I IFN responses through RIG-I, yet are unable to directly sense and respond to DNA. In this study, we utilized a co-culture system combining primary human macrophage and iPS-derived RPE to study how each cell type responds to nucleic acids challenges and their effect on RPE barrier function in a homotypic and heterotypic manner. We find that DNA-induced macrophage activation induces an IFN response in the RPE, and compromises RPE barrier function via tight-junction remodeling. Investigation of the secreted cytokines responsible for RPE dysfunction following DNA-induced macrophages activation indicates that neutralization of macrophage-secreted TNFα, but not IFNβ, is sufficient to rescue RPE morphology and barrier function. Our data reveals a novel mechanism of intercellular communication by which DNA induces RPE dysfunction via macrophage-secreted TNFa, highlighting the complexity and potential pathological relevance of RPE and macrophage interactions.
Determinants of COVID-19 preventive health behaviors in Iranian adults based on extended parallel process model
Authors: Kordi-Kalaki Fatemeh , Dehdari Tahereh , Abolghasemi Jamileh
Published: September 2023

Performing preventive behaviors by individuals has been recognized as one of the important strategies for the prevention and control of Coronavirus Disease 2019 (COVID-19). This study aimed to assess the determinants of adopting preventive behaviors of COVID-19 in a sample of Iranian adults based on Extended Parallel Process Model (EPPM) variables. In this cross-sectional study, 300 adults from Tehran, Iran were selected using cluster sampling method from five areas of the city: north, south, west, east, and center. The participants completed a study instrument developed to assess demographic information and EPPM variables. Finally, the data were analyzed using SPSS software. The mean age of the participants was 40.11 (± 15.158) years. The results showed that 88.3% (n = 265) of the participants were in the process of danger control. Perceived self-efficacy, attitude, response efficiency, behavioral intention, and the number of hours of activity outside home were determinants of performing COVID-19 preventive behaviors among the participants. These predictors might be used to develop theory-based educational efforts based on EPPM variables due to encouraging people to adopt COVID-19 preventive behaviors. Our results suggest that because many participants were engaged in danger control, health professionals should focus on increasing perceived efficacy.
Climate-mediated population dynamics for the world’s most endangered sea turtle species
Authors: Arendt Michael D. , Schwenter Jeffrey A. , Owens David W.
Published: September 2023

Restricted range, and subsequently small population size, render Kemp’s ridley sea turtles (Lepidochelys kempii) the most globally endangered sea turtle species. For at least two decades preceding conservation, high egg harvest rates reduced annual cohort recruitment. Despite > 50 years of dedicated conservation, annual nest counts remain well below a landmark 1947 level. Prior studies attribute less robust than anticipated nest count rebound to multiple contemporary concerns; however, analyses herein convey optimistic interpretation. In objective 1, improved analysis of the ratio of hatchlings to nests since 1966 suggested age structure stabilization as a more likely basis for nest count trends after 2005 than density-dependent effects. In objective 2, multiple regression revealed a lagged (≤ 13 years prior) climate influence on nests (adj. r2 = 0.82) and hatchlings per nest (adj. r2 = 0.94) during 2006–2022. In objectives 3 and 4, a simulator modeled population response to changes in a suite of demographic rates including survival. Across 32 models, high survival and dynamic cohort sex ratio, sexual maturity age, and the ratio of clutch frequency to remigration interval best explained nesting trends during 1966–2022. These novel findings provide alternative perspective for evaluating species recovery criteria and in turn refine future nest trend expectations.
Preparation of ZnGa2O4 nanoflowers and their full-color luminescence properties
Authors: Liu Yan , Zheng Tingting , Zhang Xiuyun , Chen Chen
Published: September 2023

Gallate material, a luminescent matrix with excellent performance is normally prepared by vapor deposition or solid phase sintering method at high temperature. However, it has not been solved to prepare gallate-based fluorescent materials with full-color luminescent properties at low temperature. In this paper, ZnGa2O4 undoped or doped with Cr or Mn nanoflowers composed of nanosheet-level structure were prepared by hydrothermal method at low temperature. Under ultraviolet light irradiation, ZnGa2O4, ZnGa2O4:Mn2+ and ZnGa2O4:Cr3+ display three primary colors of blue, green and red luminescence through self-excitation, Mn2+ and Cr3+ excitation respectively. The solid fluorescence yields of blue, green, and red colors are 32.3, 36.5, and 40.7%, respectively. It is highly expected to be applied to color display, biological imaging, white light devices.
Long-term benefit of DAAs on gut dysbiosis and microbial translocation in HCV-infected patients with and without HIV coinfection
Authors: Chuaypen Natthaya , Jinato Thananya , Avihingsanon Anchalee , Nookaew Intawat , Tanaka Yasuhito , Tangkijvanich Pisit
Published: September 2023

Long-term effect of Direct-acting antivirals (DAAs) on gut microbiota, short-chain fatty acids (SCFAs) and microbial translocation in patients with hepatitis C virus (HCV) infection who achieve sustained virological response (SVR) were limited. A longitudinal study of 50 patients with HCV monoinfection and 19 patients with HCV/HIV coinfection received DAAs were conducted. Fecal specimens collected at baseline and at week 72 after treatment completion (FUw72) were analyzed for 16S rRNA sequencing and the butyryl-CoA:acetateCoA transferase (BCoAT) gene expression using real-time PCR. Plasma lipopolysaccharide binding protein (LBP) and intestinal fatty acid binding protein (I-FABP) were quantified by ELISA assays. SVR rates in mono- and coinfected patients were comparable (94% vs. 100%). The improvement of gut dysbiosis and microbial translocation was found in responders but was not in non-responders. Among responders, significant restoration of alpha-diversity, BCoAT and LBP were observed in HCV patients with low-grade fibrosis (F0–F1), while HCV/HIV patients exhibited partial improvement at FUw72. I-FABP did not decline significantly in responders. Treatment induced microbiota changes with increasing abundance of SCFAs-producing bacteria, including Blautia, Fusicatenibacter, Subdoligranulum and Bifidobacterium. In conclusion, long-term effect of DAAs impacted the restoration of gut dysbiosis and microbial translocation. However, early initiation of DAAs required for an alteration of gut microbiota, enhanced SCFAs-producing bacteria, and could reduce HCV-related complications.
Rats adaptively seek information to accommodate a lack of information
Authors: Yuki Shoko , Sakurai Yoshio , Yanagihara Dai
Published: September 2023

Metacognition is the ability to adaptively control one’s behavior by referring to one’s own cognitive processes. It is thought to contribute to learning in situations where there is insufficient information available from the environment. Information-seeking behavior is a type of metacognition in which one confirms the necessary information only when one does not have the necessary and sufficient information to accomplish a task. The rats were required to respond to a nose poke hole on one wall of the experimental box for a certain period of time and then move to the opposite side at a specific time. Unfortunately, they were unable to match the timing when responding to the hole on one side. Therefore, they had to look back and confirm that now was the right time. The results obtained by analyzing these looking-back movements using a motion capture system showed that this behavior occurred frequently and rapidly in situations of insufficient information, such as in the early stages of learning, but was hardly observed and became slower as learning progressed. These results suggest that rats can adjust their behavior in response to a lack of information more flexibly than previously assumed.
Research on prediction model of converter temperature and carbon content based on spectral feature extraction
Authors: Zhao Bo , Zhao Jinxuan , Wu Wei , Zhang Fei , Yao Tonglu
Published: September 2023

The flame of converter mouth can well reflect the change of temperature and composition of molten steel in the furnace. The flame characteristics of converter mouth collected by device can well predict the smelting process of converter. Based on the flame spectrum data set of converter mouth, this paper uses the BEADS algorithm and rough set attribute reduction algorithm optimized by genetic algorithm to extract the features of 2048-dimensional wavelength data. Through the model, eight indexes that contribute greatly to temperature and carbon content are selected, which aref-507,f-520,f-839,f-1073,f-1371,f-1528,f-1727 andf-1826. The MIC coefficients of the eight indicators with temperature and carbon content are calculated, and the MIC coefficients of the variables is small, and the selected indicators are representative. There was a significant correlation between temperature and C content. In BP neural network of temperature prediction model, it is found that the prediction accuracy of the training set is 0.99, the prediction accuracy of the test set is 0.99, the prediction accuracy of the verification set is 0.99, and the prediction accuracy of the whole set is 0.99. Through statistics, it is found that the hit rate of the temperature model in the range of ± 5 K is 88.7%, and the hit rate in the range of ± 10 K is 98.4%. and theRMSEparameter analysis shows that the average prediction error is 3.85 K. In BP neural network of carbon content prediction model, it is found that the prediction accuracy of the training set is 0.99, the prediction accuracy of the test set is 0.99, the prediction accuracy of the verification set is 0.98, and the prediction accuracy of the whole set is 0.99. Through statistics, it is found that the hit rate of the carbon contents model in the range of ± 0.05% is 94.0%, and the hit rate in the range of ± 0.10% is 98.3%, and theRMSEparameter analysis shows that the average prediction error is 0.021%. Finally, the universality of the model is verified by MIV algorithm.
The role of SOD2 and NOS2 genes in the molecular aspect of bladder cancer pathophysiology
Authors: Grębowski Radosław , Saluk Joanna , Bijak Michał , Szemraj Janusz , Wigner-Jeziorska Paulina
Published: September 2023

Bladder cancer (BC) is a severe health problem of the genitourinary system and is characterised by a high risk of recurrence. According to the recent GLOBOCAN report, bladder cancer accounts for 3% of diagnosed cancers in the world, taking 10th place on the list of the most common cancers. Despite numerous studies, the full mechanism of BC development remains unknown. Nevertheless, precious results suggest a crucial role of oxidative stress in the development of BC. Therefore, this study explores whether the c. 47 C > T (rs4880)—SOD2, (c. 1823 C > T (rs2297518) and g.-1026 C > A (rs2779249)—NOS2(iNOS) polymorphisms are associated with BC occurrence and whether the bladder carcinogenesis induces changes in SOD2 and NOS2 expression and methylation status in peripheral blood mononuclear cells (PBMCs). In this aim, the TaqMan SNP genotyping assay, TaqMan Gene Expression Assay, and methylation‐sensitive high‐resolution melting techniques were used to genotype profiling and evaluate the expression of the genes and the methylation status of their promoters, respectively. Our findings confirm that heterozygote of the g.-1026 C > A SNP was associated with a decreased risk of BC. Moreover, we detected that BC development influenced the expression level and methylation status of the promoter region of investigated genes in PBMCs. Concluding, our results confirmed that oxidative stress, especially NOS2 polymorphisms and changes in the expression and methylation of the promoters of SOD2 and NOS2 are involved in the cancer transformation initiation of the cell urinary bladder.
Prevalence and consumption pattern of kolanut among pregnant women in Ibadan metropolis
Authors: Atiba F. A. , Popoola O. A. , Odukogbe A. A. , Ihunwo A. O.
Published: September 2023

Kolanut contains caffeine and it is widely consumed in various social contexts in Nigeria and other Sub-Saharan African countries. While some studies have suggested that kolanut is consumed by pregnant women, there is a dearth of information on the prevalence, consumption pattern and reasons for kolanut consumption among this group. This study investigated kolanut use among pregnant women in Ibadan, Oyo State, Nigeria. A cross-sectional study involving 478 consenting pregnant women in all trimesters of pregnancy was conducted. Semi-structured questionnaires were used to collect data. Associations between kolanut use and respondent characteristics were investigated using the chi-square test and logistic regression analysis. The mean age of the women was 28.7 ± 6.3 years. One hundred and sixty-two (33.9%) of women reported kolanut use during pregnancy, 140 (29.3%) in the current pregnancy. Fifty-five (39.3%) pregnant women reported frequent use and 46 (32.9%) used it in high quantities. Significant associations were found between current kolanut use and Hausa respondents (p = 0.014), educational level; secondary (p = 0.032), tertiary (p = 0.006), TBA (p = 0.005). The majority (93.7%) used kolanut to prevent spitting, nausea, and vomiting. This study showed that kolanut use is quite common among pregnant women and frequently used in large quantities.
Association between epicardial adipose tissue and myocardial work by non-invasive left ventricular pressure-strain loop in people with suspected metabolic syndrome
Authors: Sun Li-juan , Xiao Cheng-wei , Zhao Xue-bing , Guo Shuai , Zhang Fang
Published: September 2023

Given the inconsistent results on the prognostic significance of epicardial adipose tissue (EAT), the purpose of the present study was to investigate the association of EAT thickness and myocardial work by non-invasive left ventricular pressure-strain loop in people with suspected metabolic syndrome (MS). A total of 194 participants imaged with echocardiography were evaluated. In accordance with the median EAT thickness, MS patients fell into thin EAT group and thick EAT group. Conventional echocardiographic parameters, global longitudinal strain (GLS) and the global myocardial work parameters obtained by pressure-strain loop analysis, comprising the global work index (GWI), global work efficiency (GWE), global constructive work (GCW) and global wasted work (GWW) were compared between the two groups. In comparison with the thin EAT group, thick EAT group achieved significantly higher values in interventricular septal thickness, end-diastolic left ventricular posterior wall thickness, left ventricular mass index and GWW (p < 0.05). while the absolute value of GLS, GWI, GCW, and GWE were notably lower in the thick EAT group (p < 0.001). EAT thickness showed a significant correlation with GWI and GCW (r = − 0.328, p = 0.001; r = − 0.253, p = 0.012), and also independently correlated with GWI and GCW in the multivariate regression analysis (β = − 0.310, p = 0.001; β = − 0.199, p = 0.049). EAT thickness is associated with left ventricular myocardial function in subjects with suspected metabolic syndrome, independently of other risk factors. Further studies are supposed to ensure the causal associations and related mechanisms.
Optimization of process parameters for trimethoprim and sulfamethoxazole removal by magnetite-chitosan nanoparticles using Box–Behnken design
Authors: Alishiri Mahsa , Gonbadi Maryam , Narimani Mehdi , Abdollahi Seyyed Amirreza , Shahsavaripour Negin
Published: September 2023

The contamination of the aquatic environment with antibiotics is among the major and developing problems worldwide. The present study investigates the potential of adsorbent magnetite-chitosan nanoparticles (Fe3O4/CS NPs) for removing trimethoprim (TMP) and sulfamethoxazole (SMX). For this purpose, Fe3O4/CS NPs were synthesized by the co-precipitation method, and the adsorbent characteristics were investigated using XRD, SEM, TEM, pHzpc, FTIR, and VSM. The effect of independent variables (pH, sonication time, adsorbent amount, and analyte concentration) on removal performance was modeled and evaluated by Box–Behnken design (BBD). The SEM image of the Fe3O4/CS adsorbent showed that the adsorbent had a rough and irregular surface. The size of Fe3O4/CS crystals was about 70 nm. XRD analysis confirmed the purity and absence of impurities in the adsorbent. TEM image analysis showed that the adsorbent had a porous structure, and the particle size was in the range of nanometers. In VSM, the saturation magnetization of Fe3O4/CS adsorbent was 25 emu g−1 and the magnet could easily separate the adsorbent from the solution. The results revealed that the optimum condition was achieved at a concentration of 22 mg L−1, a sonication time of 15 min, an adsorbent amount of 0.13 g/100 mL, and a pH of 6. Among different solvents (i.e., ethanol, acetone, nitric acid, and acetonitrile), significant desorption of TMP and SMX was achieved using ethanol. Also, results confirmed that Fe3O4/CS NPs can be used for up to six adsorption/desorption cycles. In addition, applying the Fe3O4/CS NPs on real water samples revealed that Fe3O4/CS NPs could remove TMP and SMX in the 91.23–95.95% range with RSD (n = 3) < 4. Overall, the Fe3O4/CS NPs exhibit great potential for removing TMP and SMX antibiotics from real water samples.
Maize pollen diet enhances malaria mosquito longevity and infectivity to Plasmodium parasites in Ethiopia
Authors: Ayele Shilimat , Wegayehu Teklu , Eligo Nigatu , Tamiru Girum , Lindtjørn Bernt , Massebo Fekadu
Published: September 2023

Although larval diet quality may affect adult mosquito fitness, its impact on parasite development is scarce. Plant pollen from Zea mays, Typha latifolia, and Prosopis juliflora was ultraviolet-sterilized and examined for effects on larval development, pupation rate, adult mosquito longevity, survival and infectivity. The control larvae were fed Tetramin fish food as a comparator food. Four treatment and two control groups were used for each pollen diet, and each experimental tray had 25 larvae. Female An. arabiensis were starved overnight and exposed to infectious blood using a membrane-feeding system. The Kaplan–Meier curves and log-rank test were used for analysis. The Z. mays pollen diet increased malaria mosquito survival and pupation rate (91.3%) and adult emergence (85%). Zea mays and Tetramin fish food had comparable adulthood development times. Adults who emerged from larvae fed Z. mays pollen had the longest average wing length (3.72 mm) and were more permissive to P. vivax (45%) and P. falciparum (27.5%). They also survived longer after feeding on infectious blood and had the highest number of P. vivax oocysts. Zea mays pollen improved larval development, adult mosquito longevity, survival and infectivity to Plasmodium. Our findings suggest that malaria transmission in Z. mays growing villages should be monitored.
Probing the communication patterns of different chondrocyte subtypes in osteoarthritis at the single cell level using pattern recognition and manifold learning
Authors: Wang Jiajian , Liu Caihong , Yang Litao , Chen Huixiong , Zheng Mingqi , Wan Yanbin , Hong Xiongxin , Li Sidi , Han Jing , Luo Ruibin , Wan Xing , Zhang Jian V. , Xu Ruihuan
Published: September 2023

The patterns of communication among different chondrocyte subtypes in human cartilage degeneration and regeneration help us understand the microenvironment of osteoarthritis and optimize cell-targeted therapies. Here, a single-cell transcriptome dataset of chondrocytes is used to explore the synergistic and communicative patterns of different chondrocyte subtypes. We collected 1600 chondrocytes from 10 patients with osteoarthritis and analyzed the active communication patterns for the first time based on network analysis and pattern recognition at the single-cell level. Manifold learning and quantitative contrasts were performed to analyze conserved and specific communication pathways. We found that ProCs (Proliferative chondrocytes), ECs (Effector chondrocytes), preHTCs (Prehypertrophic chondrocytes), HTCs (Hypertrophic chondrocytes), and FCs (Fibrocartilage chondrocytes) are more active in incoming and outgoing signaling patterns, which is consistent with studies on their close functional cooperation. Among them, preHTCs play multiple roles in chondrocyte communication, and ProCs and preHTCs have many overlapping pathways. These two subtypes are the most active among all chondrocyte subtypes. Interestingly, ECs and FCs are a pair of “mutually exclusive” subtypes, of which ECs are predominant in incoming patterns and FCs in outgoing patterns. The active signaling pathways of ECs and FCs largely do not overlap. COLLAGEN and LAMININ are the main pivotal pathways, which means they are very important in the repair and expansion of joint homeostasis. Notably, only preHTCs assume multiple roles (including sender, receiver, mediator, and influencer) and are involved in multiple communication pathways. We have examined their communication patterns from the perspective of cellular interactions, revealed the relationships among different chondrocyte subtypes, and, in particular, identified a number of active subtypes and pathways that are important for targeted therapy in the osteoarthritic microenvironment. Our findings provide a new research paradigm and new insights into understanding chondrocyte activity patterns in the osteoarthritic microenvironment.
Selective steroidogenic cytochrome P450 haem iron ligation by steroid-derived isonitriles
Authors: Richard Alaina M. , Wong Nathan R. , Harris Kurt , Sundar Reethy , Scott Emily E. , Pochapsky Thomas C.
Published: September 2023

Alkyl isonitriles, R—NC, have previously been shown to ligate the heme (haem) iron of cytochromes P450 in both accessible oxidation states (ferrous, Fe2+, and ferric, Fe3+). Herein, the preparation of four steroid-derived isonitriles and their interactions with several P450s, including the steroidogenic CYP17A1 and CYP106A2, as well as the more promiscuous drug metabolizers CYP3A4 and CYP2D6, is described. It was found that successful ligation of the heme iron by the isonitrile functionality for a given P450 depends on both the position and stereochemistry of the isonitrile on the steroid skeleton. Spectral studies indicate that isonitrile ligation of the ferric heme is stable upon reduction to the ferrous form, with reoxidation resulting in the original complex. A crystallographic structure of CYP17A1 with an isonitrile derived from pregnanalone further confirmed the interaction and identified the absolute stereochemistry of the bound species.
Boosting inhibition performance of natural polyphenols for the prevention of calcium oxalate kidney stones through synergistic cooperativity
Authors: Li Si , Zhou Donghui , Zhu Zuoxuan , Tan Xiaoyue , Tang Weiwei , Gong Junbo
Published: September 2023

Binary drug combination usually targets different pathways to achieve cooperative therapy, but the exploitation of synergistic cooperativity between crystal growth modifiers that bind to the same site for preventing pathological biomineralization has yet to be realized. Here, we report that the binary inhibitor combinations of citrate with natural polyphenols can boost the inhibitory efficacy of calcium oxalate monohydrate crystallization, a primary component of kidney stones, up to four-fold greater than citrate alone. A combination of experimental and simulation techniques shows a strong synergy of four citrate-polyphenol inhibitor pairs on suppressing calcium oxalate monohydrate growth with minimal amounts of inhibitor, resulting from the reduction of growth kinetic constant paralleled with suppressing the crystallization driving force. Further, the inhibitor pairs demonstrated both in vitro and in vivo synergistic reductions of crystal-cell interactions, renal calcium oxalate deposition, and kidney injury, collectively presenting an effective therapeutic strategy for preventing calcium oxalate stones by boosting the inhibition efficacy of potent inhibitor pairs.
Serum lipidomics reveal the mechanism of memory disorder improvement by Qifu decoction
Authors: Deng Fanying , Zhao Fuxia , Wang Wenhui , Liu Shiqi , Wang Yan
Published: September 2023

Memory disorder (MD) is a neurodegenerative disease that seriously affects the quality of life of the elderly in China.
Small molecules and conjugates as theranostic agents
Authors: Pratihar Sumon , Bhagavath Krithi K. , Govindaraju Thimmaiah
Published: September 2023

Small molecules with therapeutic and imaging capabilities can provide the desired theranostic effect for personalized medicine, either independently or when conjugated with a disease-specific targeting component.
Reconfigurable spin tunnel diodes by doping engineering VS2 monolayers
Authors: Yu Sheng , Shi Wenwu , Li Qiliang , Xu Feixiang , Gu Li , Wang Xinzhong
Published: September 2023

This device demonstrated a magnetization-controlled diode-like behavior with forward-allowed current under antiparallel magnetizations and reverse-forbidden current under parallel magnetizations of the two electrodes.
Growth of a quasicrystal-related structure and superstructure for ultrathin Ce–Ti–O films on Pt(111)
Authors: Li Xu , Chan Lap Hong , Takakura Sho-ichi , Nakatake Masashi , Yamada Tsunetomo , Tamura Ryuji , Yuhara Junji
Published: September 2023

An oxide quasicrystal-related structure with dodecagonal clusters and a Ce–Ti–O-(3 × 3) honeycomb superstructure of ultrathin Ce–Ti–O films on Pt(111).
Three-dimensional lead iodide perovskites based on complex ions
Authors: Wang Hebin , Yu Yinye , Lu Haolin , Wang Teng , Haruta Yuki , Wei Xingzhan , Xing Guichuan , Saidaminov Makhsud I. , Zhou Yecheng , Long Guankui
Published: September 2023

3D perovskites based on complex ions, Cu(NH3)2PbI3, Ag(NH3)2PbI3 and Au(NH3)2PbI3 are proposed. Ag(NH3)2PbI3 and Au(NH3)2PbI3 are found not only structural 3D but also electronic 3D, which are good candidates towards high-performance solar cells.
Tetra S-confused porphyrinoids
Authors: Mishra Vishnu , Udaya Hosahalli S. , Anand Venkataramanarao G.
Published: September 2023

Maximum confusion in porphyrinoids can be achieved by inter-linking heterocycles only through 2,4-connectivity.
Molecular inspired electrocatalyst materials for environmental remediation
Authors: Calvillo Solis Jonathan J. , Castillo Alexandria , Yin Sheng , Sandoval-Pauker Christian , Ocuane Neidy , Puerto-Diaz Diego , Jafari Nasim , Villagrán Dino
Published: September 2023

The increasing presence of chemical contaminants in the environment due to demands associated with a growing population and industrial development poses risks to human health due to their exposure.
A novel broadband windmill‐shaped metasurface antenna with stable radiation patterns
Authors: Chen Dongxu , Liu Xizhao , Ye Sang , Yang Wanchen , Che Wenquan , Xue Quan
Published: September 2023

A novel windmill‐shaped metasurface (MTS) structure is firstly presented and applied to realise broadband antennas with stable radiation patterns. Different from conventional square MTS structure, the proposed windmill‐shaped MTS structure is formed by etching several triangular sawtooth slots instead of rectangular slots on the radiating square patch. Through the characteristic mode analysis, it can be found that the proposed MTS structure exhibits a much stable broadside radiation within a large bandwidth of 45.9%. Besides, the tapered edges resulted from the sawtooth slots can be regarded as smoother transitions, which would bring a better impedance matching. Based on above analysis, two antennas with different aperture sizes using the proposed windmill‐shaped MTS are well designed accordingly. Both antennas demonstrate the capability to achieve large impedance bandwidths over 40% and stable radiations (2‐dB gain bandwidth >33%). Compared with the conventional MTS‐based antenna, these proposed antennas improve the bandwidth and radiation performances effectively, showing great promises for modern wireless communication systems.
Analysis and modelling of a phase‐locked loop based on a novel cascade structure of SOGI
Authors: Ke Shanwen , Li Yuren
Published: September 2023

In order to attenuate the oscillations on the estimated frequency of a phase‐locked loop (PLL), the effective suppression of low‐order harmonics in grid voltage is a crucial issue in three‐phase grid‐connected inverters, which use the standard PLL based on a double second‐order generalized integrator (DSOGI‐PLL). Analysis shows that the SOGI module exerts a stronger filtering effect in generating the quadrature signal than the in‐phase signal. In this context, two novel cascaded SOGI module filtering structures have been developed, based on which the PLLs are proposed. In comparison to the previously proposed method for addressing the problem of input voltage harmonics, the proposed method has stronger filtering ability and can flexibly select the levels of SOGI module cascading based on the degree of grid voltage distortion to achieve a balance between system dynamic performance and filtering performance. The proposed PLLs' approximation small signal model is established, and the method for designing the system control parameters is also provided. In the case of frequency steps, phase angle jumps, harmonic injection, and unbalanced voltage sag, Matlab modelling and experimental results demonstrate that the proposed PLLs can efficiently extract the frequency and phase of the fundamental positive sequence component and behave better in steady‐state and dynamic performance.
A collaborative training approach for multi energy systems in low‐carbon parks accounting for response characteristics
Authors: Bao Huiyu , Sun Yi , Zheng Shunlin
Published: September 2023

Existing researches lack systematic design of the operation mechanism and overall implementation process of park oriented multi‐state energy system; The existing researches on multi‐state energy systems ignored the dynamic response characteristics of load and the coupling effect of units considering the impact of carbon emissions, and did not go deep into the collaborative management of multiple multi state energy system parks. To this end, this paper first proposes a two‐stage multi‐energy system operation architecture for low carbon parks, and establishes a mathematical model considering carbon emissions, operating costs and other objectives. The response space of load is optimized by considering the dynamic interaction characteristics of load response and the coupling characteristics of unit operation. Then, considering the problems of data security and training efficiency, F‐DDPG technology is used to conduct collaborative training for multiple campus systems. Finally, an example is given to prove the effectiveness of the method, which is not only conducive to reducing the operating cost of the system and the carbon emissions on the supply side, but also improves the convergence of model training. In the case of collaborative training in multiple parks, the method in this paper converges faster and has better economic benefits.
Leadership of urban digital innovation for public value: A competency framework
Authors: Bastidas Viviana , Oti‐Sarpong Kwadwo , Nochta Timea , Wan Li , Tang Junqing , Schooling Jennifer
Published: September 2023

Leading digital innovation projects in smart cities requires the right human resources with the right set of competencies. Such requirement is challenging because city managers and built environment professionals are traditionally trained and work in disciplinary and professional silos. This results in a lack of knowledge, abilities, and tools to produce optimal outcomes for communities across multiple sectors. Guided by a socio‐technical and multidisciplinary approach, the DC2‐CF framework is proposed to help urban planners identify, develop and expand the competencies they need to effectively steer responsible digital innovation and ensure public value creation. The DC2‐CF proposes a digital innovation process model to facilitate the delivery of successful urban digital innovation projects based on the lessons learned from working with city digital leaders. In addition, the DC2‐CF provides a delivery structure which identifies specific tasks, competencies, and roles necessary to enable the use off the innovation process model in practice and break down the professional silos currently existing in cities. The framework is envisioned to assist city planners in fostering leadership capacity in local authorities and the private sector in digital city development, contributing to enhancing collaborative working and effective public value creation.
Quasi-periodic oscillation detected in γ-rays in blazar PKS 0346−27
Authors: Prince Raj , Banerjee Anuvab , Sharma Ajay , Kumar das Avik , Gupta Alok C. , Bose Debanjan
Published: September 2023

Aims. We present a variability study of the blazar PKS 0346−27 conducted between December 2018 and January 2022 using archival γ-ray observations from Fermi-LAT.

Methods. We used Lomb–Scargle periodogram and weighted wavelet transform methods to detect the presence of periodicity or quasi-periodicity and localize this feature in time and frequency space. We estimated the significance of the periodicity feature using a Monte Carlo simulation approach. We also determined the global significance of the periodicity to test the robustness of our claim. To explore the most probable scenario, we modeled the light curve with both a straight-jet and a curved-jet model.

Results. We detect a periodicity feature of ∼100 days in the entire period of observation with a statistical significance of 3σ, which amounts to a 99.7% confidence level. The global significance of this feature is found to be 96.96%. Based on the Akaike information criterion, the most probable explanation is that the observed emission is enhanced due to the helical motion of a blob within a curved jet.

Conclusions. The origin of this quasi-periodic oscillation is very likely a region of enhanced emission moving helically inside a curved jet. This work presents strong evidence for jet curvature in the source and an independent (albeit a little serendipitous) procedure to estimate the curvature in blazar jets.
Aromatic cycles are widespread in cold clouds
Authors: Agúndez M. , Marcelino N. , Tercero B. , Cernicharo J.
Published: September 2023

We report the detection of large hydrocarbon cycles toward several cold dense clouds. We observed four sources (L1495B, Lupus-1A, L483, and L1527) in the Q band (31−50 GHz) using the Yebes 40 m radiotelescope. Using the line stack technique, we find statistically significant evidence of benzonitrile (C6H5CN) in L1495B, Lupus-1A, and L483 at levels of 31.8σ, 15.0σ, and 17.2σ, respectively, while there is no hint of C6H5CN in the fourth source, L1527. The column densities derived are in the range (1.7−3.8) × 1011 cm−2, which is somewhat below the value derived toward the cold dense cloud TMC-1. When we simultaneously analyze all the benzonitrile abundances derived toward cold clouds in this study and in the literature, a clear trend emerges in that the higher the abundance of HC7N, the more abundant C6H5CN is. This indicates that aromatic cycles are especially favored in those interstellar clouds where long carbon chains are abundant, which suggests that the chemical processes that are responsible for the formation of linear carbon chains are also behind the synthesis of aromatic rings. We also searched for cycles other than benzonitrile, and found evidence of indene (C9H8), cyclopentadiene (C5H6), and 1-cyano cyclopentadiene (1-C5H5CN) at levels of 9.3σ, 7.5σ, and 8.4σ, respectively, toward L1495B, which shows the strongest signal from C6H5CN. The relative abundances between the various cycles detected in L1495B are consistent – within a factor of three – with those previously found in TMC-1. It is therefore likely that not only C6H5CN but also other large aromatic cycles are abundant in clouds rich in carbon chains.
Phenomenological footprints of Λ varying gravity theories inspired from quantum gravity models in the multi-messenger era
Authors: Good Michael R R , Zarikas Vasilios
Published: September 2023

An interesting phenomenological consequence of Λ varying gravity theories inspired by quantum gravity models is reported. The treatment in the present work is quite general and applicable to several different actions with Λ varying, especially those used in RG approaches to quantum gravity. An effective gravitational action with a scale varying cosmological constant, Λ, which depends on the system’s characteristics, like the length and the energy density, is the key feature. If the system is an astrophysical object, like a cluster of galaxies, a black hole, etc, non-negligible corrections arise to several observable quantities. Distinctive footprints could refer to luminosity distance and strong/weak lensing measurements, among others. The present study focuses on the SNIa luminosity distance observable.
Rotational wave packet of NO+ created upon strong-field ionization of NO
Authors: Fukahori Shinichi , Hasegawa Hirokazu
Published: September 2023

We theoretically investigate the creation of the rotational wave packet in molecular ions upon the strong-field ionization of diatomic molecules by a femtosecond laser pulse. The rotational excitation of molecular cation is ascribed to the dependence of the strong-field ionization probability on the orientation angle of the molecular axis with respect to the laser polarization direction. By extending the molecular strong-field approximation theory, we calculate the rovibrational state distribution of the ground electronic X

1

Σ
+

state of NO+ after the ionization of NO in the electronic ground X

2

Π

1

/

2

state. We also show that the extent of the rotational excitation of NO+ is enhanced by the stimulated impulsive Raman processes both in neutral NO and in NO+ cation. The resultant time evolution of the rotational wave packet of NO+ is in good agreement with the delay dependent NO2+ yield recorded experimentally in our previous pump–probe study.
Elliptical high-order harmonic generation from current-carrying orbitals of prealigned molecules
Authors: Wang Kaiyi , Ding Yulin , Wang Feng , Zhang Xiaofan , Liao Qing
Published: September 2023

The polarization of high harmonics generated from current-carrying state of nitric oxide molecules irradiated by linear laser fields is investigated by numerically solving the three-dimensional time-dependent Schrödinger equation. It is found that the ellipticity of high harmonics is obviously dependent on the polar angle between the driving laser polarization and molecular axis which is interpreted by the strong field approximation model. Moreover, our results also show that the helicity of near-threshold harmonics is opposite to that of plateau harmonics when the molecule is at any polar angle. To analyze this phenomenon, we simulate the dipole matrix element numerically. Finally, the attosecond pulses with opposite helicities can be obtained by synthesizing near-threshold and plateau harmonics. The ellipticity can be tuned by the alignment angle of molecules. Our work may provide a theoretical guiding and detection tool for the electron dynamics of molecular current-carrying states.
Physics of large thermoelectric power factors in SnSe nanoflakes in mid-temperature range
Authors: Panwar Anjali , Sonnathi Neeleshwar , Mahanti Subhendra D , Malik Vikas , Bagga Anjana
Published: September 2023

We have theoretically investigated the underlying physics of observed high electrical conductivity (σ), simultaneous increase of σ and Seebeck coefficient (S) with temperature, and large power factors (PFs) in nominally undoped SnSe nanoflakes sintered at different temperatures, reported recently in Mandava et al (2022 Nanotechnology
33 155710). Given the fact that S and σ show unusual temperature trends and that the undoped SnSe samples are highly porous and disordered, the conventional Boltzmann theory does not appear to be an appropriate model to describe their transport properties. We have, instead, used a strong disorder model based on percolation theory where charge and energy transport take place through hopping between localized states to understand these observations. Our model is able to explain the observed temperature dependence of σ and S with temperature. Large σ can be explained by a high density of localized states and a large hopping rate. The sample sintered at a higher temperature has lower disorder (σ
DOS) and higher hopping rate (1/τ
0). We find σ
DOS = 0.151 eV and 1/τ
0 = 0.143 × 1015 s−1 for sample sintered at 673 K and σ
DOS = 0.044 eV and 1/τ
0 = 2.023 × 1015 s−1 for sample sintered at 703 K. These values are comparable to the reported values of transition frequencies, confirming that the dominant charge transport mechanism in these SnSe nanoflakes is hopping transport. Finally, we suggest that hopping transport via localized states can result in enhanced thermoelectric properties in disordered polycrystalline materials.