bluuebunny/crossref_metadata_2025 huggingface dataset:
Platelet count in heart failure patients undergoing left ventricular assist device
Authors: Luo Jun , Li Zhenhan , Luo Yuxiang , Li Tong , Shi Rui , Chen Dan , Wu Qingchen , Luo Suxin , Huang Bi , Tie Hongtao
Published: June 2024

Aims

Left ventricular assist device (LVAD) implantation, a therapy for end‐stage heart failure, is associated with platelet (PLT) activation. This study aims to evaluate the prognostic impact of PLT count in patients with LVAD implantation.

Methods and Results

Data from the Interagency Registry for Mechanically Assisted Circulatory Support (INTERMACS) registry were investigated, and patients were divided into three groups according to tertiles. The dynamic change of PLT counts and its associations with long‐term outcomes were analysed. The primary outcome was long‐term mortality. A total of 19 517 patients who received the first continuous‐flow LVAD were identified from the INTERMACS registry. The PLT count underwent a dynamic change towards normalization after LVAD implantation. Compared with intermediate, both high (hazard ratio [HR], 1.09, 95% confidence interval [CI]: 1.01 to 1.17, P = 0.033) and low (HR, 1.18, 95% CI: 1.10 to 1.27, P < 0.001) pre‐implant PLT counts were associated with an increased risk of 2 year mortality. Compared with intermediate, a high post‐implant PLT count was associated with an increased risk of 4 year mortality (HR, 1.38, 95% CI: 1.26 to 1.52, P < 0.001). Besides, both pre‐ and post‐implant PLT counts exhibit a U‐shaped association with the risk of mortality.

Conclusions

LVAD implantation could improve the PLT count towards normalization. Abnormal pre‐/post‐implant PLT counts were independently associated with increased risks of long‐term mortality.
Computational Study of Equilibria Formed by Diiodine (I2) and the Pincer Complex [2,6‐bis{(Me2NCH2)2}C6H3]PtIII: Intramolecular Mobility of I2 Using ′Pt‐I2′, ′Pt‐I ⋅ ⋅ ⋅ I2′ and ′Cpara ⋅ ⋅ ⋅ I2′ Species
Authors: Canty Allan J. , van Koten Gerard
Published: June 2024

DFT computation indicates the presence of solution equilibria with very low barriers when diiodine interacts with the square‐planar platinum(II) pincer complex Pt(NCN)I (NCN=[2,6‐bis{(dimethylamino)methyl}phenyl‐N,C,N]−) in dichloromethane. Species present include square‐planar Pt(NCN)(η1‐I3) and square‐pyramidal Pt(NCN)I(η1‐I2) interconverted via a triangular transition state with I2 bridging a Pt−I bond, and interaction of diiodine at the para‐position of the arene ring interconverted with Pt(NCN)I(η1‐I2) via a transition state with diiodine bridging the Cortho‐ and Cmeta‐positions. Similar facile intramolecular rearrangements occur for a model system with a molar ratio of 1 : 2 for Pt : I2, exhibiting species such as Pt(NCN)(η1‐I3)(η1‐I2) and mobility of diiodine over the (pincer)PtI plane.
Electrofluidic control for textile‐based cell culture: Identification of appropriate conditions required to integrate cell culture with electrofluidics
Authors: Abeywardena Sujani B. Y. , Yue Zhilian , Wallace Gordon G. , Innis Peter C.
Published: June 2024

Electric field–driven microfluidics, known as electrofluidics, is a novel attractive analytical tool when it is integrated with low‐cost textile substrate. Textile‐based electrofluidics, primarily explored on yarn substrates, is in its early stages, with few studies on 3D structures. Further, textile structures have rarely been used in cellular analysis as a low‐cost alternative. Herein, we investigated novel 3D textile structures and develop optimal electrophoretic designs and conditions that are favourable for direct 3D cell culture integration, developing an integrated cell culture textile‐based electrofluidic platform that was optimised to balance electrokinetic performance and cell viability requirements. Significantly, there were contrasting electrolyte compositional conditions that were required to satisfy cell viability and electrophoretic mobility requiring the development of and electrolyte that satisfied the minimum requirements of both these components within the one platform. Human dermal fibroblast cell cultures were successfully integrated with gelatine methacryloyl (GelMA) hydrogel‐coated electrofluidic platform and studied under different electric fields using 5 mM TRIS/HEPES/300 mM glucose. Higher analyte mobility was observed on 2.5% GelMA‐coated textile which also facilitated excellent cell attachment, viability and proliferation. Cell viability also increased by decreasing the magnitude and time duration of applied electric field with good cell viability at field of up to 20 V cm−1.
Septal stimulation attenuates hippocampal seizure with subregion specificity
Authors: Zhang Qingyang , Wang Yu , Wang Fei , Jiang Dongxiao , Song Yingjie , Yang Lin , Zhang Mengdi , Wang Yi , Ruan Yeping , Fang Jiajia , Fei Fan
Published: June 2024

Objective

Deep brain stimulation (DBS) is a promising approach for the treatment of epilepsy. However, the optimal target for DBS and underlying mechanisms are still not clear. Here, we compared the therapeutic effects of DBS on distinct septal subregions, aimed to find the precise targets of septal DBS and related mechanisms for the clinical treatment.

Methods

Assisted by behavioral test, electroencephalography (EEG) recording and analyzing, selectively neuronal manipulation and immunohistochemistry, we assessed the effects of DBS on the three septal subregions in kainic acid (KA)‐induced mouse seizure model.

Results

DBS in the medial septum (MS) not only delayed generalized seizure (GS) development, but reduced the severity; DBS in the vertical diagonal band of Broca (VDB) only reduced the severity of GS, while DBS in the horizontal diagonal band of Broca (HDB) subregion showed no anti‐seizure effect. Notably, DBS in the MS much more efficiently decreased abnormal activation of hippocampal neurons. EEG spectrum analysis indicated that DBS in the MS and VDB subregions mainly increased the basal hippocampal low‐frequency (delta and theta) rhythm. Furthermore, ablation of cholinergic neurons in the MS and VDB subregions blocked the anti‐seizure and EEG‐modulating effects of septal DBS, suggesting the seizure‐alleviating effect of DBS was dependent on local cholinergic neurons.

Significance

DBS in the MS and VDB, rather than HDB, attenuates hippocampal seizure by activation of cholinergic neurons‐augmented hippocampal delta/theta rhythm. This may be of great therapeutic significance for the clinical treatment of epilepsy with septal DBS.

Plain Language Summary

The optical target of deep brain stimulation in the septum is still not clear. This study demonstrated that stimulation in the medial septum and vertical diagonal band of Broca subregions, but not the horizontal diagonal band of Broca, could alleviate hippocampal seizure through cholinergic neurons‐augmented hippocampal delta/theta rhythm. This study may shed light on the importance of precise regulation of deep brain stimulation therapy in treating epileptic seizures.
Cross‐divide difference in channel‐head steady‐state elevation controls drainage‐divide migration
Authors: Ye Yijia , Tan Xibin , Zhou Chao , Bian Shuang , Liu Yiduo , Shi Feng
Published: June 2024

It is generally agreed that the channel‐head steady‐state elevations (
) across a drainage divide are different when the drainage divide is moving. However, whether it is the hillslope or river channel that absorbs the cross‐divide difference in channel‐head steady‐state elevation (
) remains unclear. These different views have consequences for both the methods used to measure drainage‐divide stability and tectonic reconstructions from channel profiles. Two methods for determining drainage‐divide stability include Gilbert metrics and χ‐plots, which emphasise the role of hillslopes and river channels, respectively. Here, we address this issue by deducing equations for estimating
and identifying the absorbers of
using numerical simulations and two natural cases. Our results show that both hillslopes and river channels absorb parts of
in each case; however, the proportion absorbed varies from case to case. When the hillslope absorbs a greater proportion of
, the river channel absorbs less, and vice versa. We suggest that both Gilbert metrics and χ‐plots should be applied when evaluating drainage‐divide stability; if either suggests the divide is unstable, then it is indeed unstable. Moreover, the river channel profiles on both sides of a drainage divide are in disequilibrium when the divide is moving, and the erosion rates are greater and less than the uplift rates at the expanding and shrinking sides, respectively. This underscores that drainage‐divide migration can significantly hinder the extraction of uplift history from channel profiles.
Tailored Metal‐Porphyrin Based Molecular Electrocatalysts for Enhanced Artificial Nitrogen Fixation to Green Ammonia
Authors: Salerno Giorgia , Bettucci Ottavia , Manfredi Norberto , Stendardo Luca , Veronese Eleonora , Metrangolo Pierangelo , Abbotto Alessandro
Published: June 2024

Electrochemical nitrogen reduction (E‐NRR) is one of the most promising approaches to generate green NH3. However, scarce ammonia yields and Faradaic efficiencies (FE) still limit their use on a large scale. Thus, efforts are focusing on different E‐NRR catalyst structures and formulations. Among present strategies, molecular electrocatalysts such as metal‐porphyrins emerge as an encouraging option due to their planar structures which favor the interaction involving the metal center, responsible for adsorption and activation of nitrogen. Nevertheless, the high hydrophobicity of porphyrins limits the aqueous electrolyte–catalyst interaction lowering yields. This work introduces a new class of metal‐porphyrin based catalysts, bearing hydrophilic tris(ethyleneglycol) monomethyl ether chains (metal = Cu(II) and CoII)). Experimental results show that the presence of hydrophilic chains significantly increases ammonia yields and FE, supporting the relevance of fruitful catalyst‐electrolyte interactions. This study also investigates the use of hydrophobic branched alkyl chains for comparison, resulting in similar performances with respect to the unsubstituted metal‐porphyrin, taken as a reference, further confirming that the appropriate design of electrocatalysts carrying peripheral hydrophilic substituents is able to improve device performances in the generation of green ammonia.
Poor sleep quality is an important modifiable risk factor for dementia: Population attributable fraction of poor sleep in a Brazilian population‐based study
Authors: Borelli Wyllians Vendramini , Noll Giovani , Tonon André C. , Leotti Vanessa Bielefeldt , Castilhos Raphael Machado , Zimmer Eduardo R.
Published: June 2024

Objectives

The populational impact of poor sleep quality and the risk of dementia is unclear. We analyzed the Population Attributable Fraction (PAF) of poor sleep quality for dementia, and its association with other two sleep parameters through self‐reported and single questions collected in a large‐scale Brazilian cohort (ELSI‐Brazil).

Methods

A subset of the ELSI‐Brazil with complete responses to sleep quality was retrieved for this study. This is a large representative sample of the Brazilian elderly population with an extensive assessment of sociodemographic and health risk variables. Prevalence of poor sleep quality was estimated according to the complex sample design, and its PAF was measured using a meta‐analytic relative risk. A total of 6024 (56.3% women, mean 62.8 ± 9.5 years of age) individuals had complete responses.

Results

The prevalence of poor sleep quality was 24.9% (95%CI 23%–26%), and the PAF of poor sleep quality including other 10 modifiable risk factors of dementia was 52.5% in Brazil. Secondary analyses identified that sleep quality, restorative sleep and sleep drug usage varied considerably according to age ranges, race, and gender.

Conclusions

Poor sleep quality is an important populational modifiable risk factor for dementia in Brazil. Targeted interventions may provide an important impact in preventing dementia in low‐ and middle‐income countries.
Is anchoring at ‘dead’ a theoretical requirement for health state valuation?
Authors: Sampson Chris , Parkin David , Devlin Nancy
Published: June 2024

Values that accompany generic health measures are typically anchored at 1 = full health and 0 = dead. Some health states may then be considered ‘worse than dead’ (WTD) and assigned negative values, which causes fundamental measurement problems. In this paper, we challenge the assumption that anchoring values at ‘dead = 0’ is necessary for quality‐adjusted life year (QALY) estimation. We summarise the role of ‘dead’ in health state valuation and consider three critical questions: (i) whether the measurement properties of health state values require ‘dead’; (ii) whether ‘dead’ needs to be valued relative to health states; and (iii) whether values for states WTD are meaningful or useful. We conclude that anchoring 0 at dead is not a requirement of health status measurement or cost‐effectiveness analysis. This results from reframing QALYs as the relevant unit of measurement and reframing values as being derived from QALYs rather than the reverse.
Primary central nervous system lymphomas: EHA–ESMO Clinical Practice Guideline for diagnosis, treatment and follow‐up
Authors: Ferreri Andrés J. M. , Illerhaus Gerald , Doorduijn Jeanette K. , Auer Dorothee P. , Bromberg Jacoline E. C. , Calimeri Teresa , Cwynarski Kate , Fox Christopher P. , Hoang‐Xuan Khê , Malaise Denis , Ponzoni Maurilio , Schorb Elisabeth , Soussain Carole , Specht Lena , Zucca Emanuele , Buske Christian , Jerkeman Mats , Dreyling Martin ,   EHA and ESMO Guidelines Committees
Published: June 2024

Highlights

This EHA‐ESMO Clinical Practice Guideline provides key recommendations for managing primary DLBCL of the CNS.

The guideline covers clinical, imaging and pathological diagnosis, staging and risk assessment, treatment and follow‐up.

Algorithms for first‐line and salvage treatments are provided.

The author group encompasses a multidisciplinary group of experts from different institutions and countries in Europe.

Recommendations are based on available scientific data and the authors' collective expert opinion.
Impact of pharmacist‐led discharge medication reconciliation on error and patient harm prevention at a large academic medical center
Authors: Zheng Linda , Pon Tiffany , Bajorek Sarah , Le Kathie , Hluhanich Rebecca , Ren Yunyi , Wilson Machelle
Published: June 2024

Introduction

Medication errors during hospital discharge can lead to adverse outcomes, medication‐related readmissions, and increased health care costs. Pharmacist‐led medication reconciliation at discharge is a potential solution to mitigate poor outcomes and optimize medication safety.

Objectives

This study aimed to quantify medication errors identified at discharge and characterize the severity of patient harm prevented following pharmacist‐led discharge medication reconciliation. Cost avoidance analysis was conducted to determine its associated financial impact.

Methods

Patients, who were discharged from an adult internal medicine service during October 2022, were included in this one‐month pilot prospective quality improvement study. The number of errors at discharge were documented, categorized by type, and adjudicated for severity of potential harm. Error severity was classified based on a modified National Coordinating Council for Medication Error Reporting and Prevention Medication Error Index. Cost avoidance was calculated based on whether each error would have resulted in additional medical encounters and length of stay.

Results

Thirty‐one patients were included in the analysis. Forty errors were identified by pharmacist‐led medication reconciliation at discharge, with a mean of 1.3 ± 1.9 errors per patient and 68% of patients having at least one error. The most common errors were duplication of therapy (25%) and medication access barriers at discharge (25%). The severity of errors included low (22.5%), serious (75%), and life‐threatening harm (2.5%). Thirty‐five percent of errors could have led to emergency visits or hospital readmissions. The estimated total cost for errors was $25 600. Pharmacist labor cost for reconciliation was $816. Cost avoidance was $24 784 from the 14 errors at discharge that could have resulted in additional emergency or inpatient visits.

Conclusion

Pharmacist‐led medication reconciliation at discharge may prevent harm from reaching patients, decrease cost from unnecessary health encounters, and stop the error from continuing across transitions of care.
The role of microenvironments on computed vibrationally‐resolved emission spectra: The case of oxazines
Authors: Nguyen Thi Minh Nghia , König Carolin
Published: June 2024

Oxazine dyes act as reporters of their near environment by the response of their fluorescence spectra. At the same time, their fluorescence spectra exhibit a pronounced vibrational progression. In this work, we computationally investigate the impact of near‐environment models consisting of aggregated water as well as betaine molecules on the vibrational profile of fluorescence spectra of different oxazine derivatives. For aggregated betaine and a water molecule located above the plane of the dyes, we observe a distinct modification of the vibrational profile, which is more pronounced than the effect of a continuum description of a solvent environment. Our analysis shows that this effect cannot be explained by a pure change in the electronic structure, but that also vibrational degrees of freedom of the environment can be decisive for the vibrational profile and should, hence, not generally be neglected.
Clinical performance of fecal calprotectin, lactoferrin, and hemoglobin for evaluating the disease activity of IBD and detecting colorectal tumors
Authors: Yamakawa Tsukasa , Miyake Takakazu , Yokoyama Yoshihiro , Kazama Tomoe , Hayashi Yuki , Hirayama Daisuke , Yoshii Shinji , Yamano Hiro‐o , Takahashi Satoshi , Nakase Hiroshi
Published: June 2024

Background and Aim

Recently, noninvasive fecal markers have been used as indicators of intestinal inflammation in patients with inflammatory bowel disease (IBD). We conducted a clinical validation study to measure fecal calprotectin (Cp), lactoferrin (Lf), and hemoglobin (Hb) levels using an all‐in‐one kit in patients with IBD and colorectal tumors and aimed to clarify the utility of these fecal markers.

Methods

In this study, 104 patients were analyzed, including 25 patients with ulcerative colitis (UC), 20 with Crohn's disease (CD), 48 with colorectal tumors, and 13 healthy controls (HC). Of the 48 patients with colorectal tumors, 14 had invasive cancer. We validated the utility of fecal Cp, Lf, and Hb levels by simultaneously measuring fecal markers in patients with IBD and colorectal tumors.

Results

Fecal Cp and Lf had almost equivalent abilities in detecting clinical remission in patients with UC; however, fecal Cp was slightly superior to Lf. Regarding colorectal tumors, fecal Cp and Lf levels tended to be higher in patients with adenomas and colorectal cancer than in HCs. Although fecal Hb alone had the best sensitivity and specificity for detecting colorectal cancer, it had relatively low sensitivity for detecting advanced neoplasms and colorectal cancer.

Conclusion

Fecal Cp and Lf can be used as almost equivalent biomarkers to assess the clinical activity in patients with UC. Fecal Hb is the most useful marker for screening colorectal cancer; however, adding fecal Cp and Lf may compensate for the low sensitivity of detecting for advanced colorectal tumors based on Hb alone.
Association between influenza vaccination and one‐year all‐cause and cardiovascular mortality risk: A self‐controlled case series and matched case‐control study
Authors: Ma Yuan , Li Wei , Li Juan , Qian Jie , Jiang Mingyue , Sun Yanxia , Ma Yue , Yang Weizhong , Feng Luzhao
Published: June 2024

Debates surrounding the efficacy of influenza vaccination for survival benefits persist, and there is a lack of data regarding its duration of protection. A self‐controlled case series (SCCS) and a 1:4 matched case‐control study were conducted using the National Health Interview Survey (NHIS) and public‐use mortality data from 2005 to 2018 in the United States. The SCCS study identified participants who received influenza vaccination within 12 months before the survey and subsequently died within 1 year of postvaccination. The matched case‐control study paired participants who died during the influenza season at the time of survey with four survivors. Among 1167 participants in the SCCS study, there was a 46% reduction in all‐cause mortality and a 43% reduction in cardiovascular mortality within 29–196 days of postvaccination. The greatest protection was observed during days 29–56 (all‐cause mortality: RI: 0.19; 95% CI: 0.12–0.29; cardiovascular mortality: RI: 0.28; 95% CI: 0.14–0.56). Among 626 cases and 2504 controls included in the matched case‐control study, influenza vaccination was associated with a reduction in all‐cause mortality (OR: 0.74, 95% CI: 0.60–0.92) and cardiovascular mortality (OR: 0.64, 95% CI: 0.44–0.93) during the influenza season. This study highlights the importance of influenza vaccination in reducing the risks of all‐cause and cardiovascular mortality, with effects lasting for approximately 6 months.
The artificial neural network approach for the transmission of malicious codes in wireless sensor networks with Caputo derivative
Authors: Khan Zia Ullah , ur Rahman Mati , Arfan Muhammad , Waseem  , Boulaaras Salah
Published: June 2024

The current manuscript investigates a six compartmental mathematical model for malicious Codes in Wireless Sensor Network is consider for investigation under the fractional operator of Caputo along with their numerical scheme. The six agent nodes of the network sensors are transferable like in infection with in their community of different nodes. With the help of fixed point theory the presentation of existence and uniqueness of solution of the said model are also given. The scheme of numerical solution under fractional format is developed with the choice of fractional orders which increasing the degree of freedom for such type of network analysis. The numerical simulation of all the six agents are given on different fractional orders along with sensitivity of the fractional orders and some used parameters. The new analysis artificial neural network (ANN) method has been utilized for the considered model and compared with Adams–Bashforth (AB) method. We divided the data set into three categories training, testing and validation with ANN method and the analysis is presented in this work.
Lebensmittel‐Authentizitätsprüfung mittels NGS‐Metabarcoding
Authors: Rammouz Sina , Reichstein Anne , Riehle Jochen , Ferner Ansgar , Fischer Markus , Schäfers Christian
Published: June 2024

Die Authentizitätsprüfungen von Lebensmitteln und deren Rohstoffen ist in der amtlichen Lebensmittelüberwachung schon seit einiger Zeit ein großes Themenfeld – es geht um die Aspekte Lebensmitteltäuschung und Lebensmittelsicherheit. Eine effiziente und kostengünstige Untersuchungsmethode stellt das DNA‐basierte Next Generation Sequencing (NGS) dar, hier speziell das Metabarcoding. Hierbei wird eine Hochdurchsatzsequenzierung mittels short‐read sequencing (Illumina MiSeq) durchgeführt.
2‐Cyanopropan‐2‐yl versus 1‐Cyanocyclohex‐1‐yl Leaving Group: Comparing Reactivities of Symmetrical Trithiocarbonates in RAFT Polymerization
Authors: Ivanchenko Oleksandr , Odnoroh Maksym , Rolle Faustine , Kroeger Asja A. , Mallet‐Ladeira Sonia , Mazières Stéphane , Guerre Marc , Coote Michelle L. , Destarac Mathias
Published: June 2024

This study introduces bis(1‐cyanocyclohex‐1‐yl)trithiocarbonate (TTC‐bCCH) as a novel trithiocarbonate chain transfer agent and compares its reactivity with the previously described bis(2‐cyanopropan‐2‐yl)trithiocarbonate (TTC‐bCP) for the reversible addition‐fragmentation chain transfer (RAFT) polymerization of styrene (St), n‐butyl acrylate (nBA), and methyl methacrylate (MMA). Significant findings include the effective control of Mn and low dispersities from the onset of polymerization of St and nBA showing swift addition‐fragmentation kinetics, leading to similar behaviors between the two RAFT agents. In contrast, a fourfold decrease of the chain transfer constant to MMA is established for TTC‐bCCH over TTC‐bCP. This trend is confirmed through density functional theory (DFT) calculations. Finally, the study compares thermoplastic elastomer properties of all‐(meth)acrylic ABA block copolymers produced with both RAFT agents. The impact of dispersity of PMMA blocks on thermomechanical properties evaluated via rheological analysis reveals a more pronounced temperature dependence of the storage modulus (G′) for the triblock copolymer synthesized with TTC‐bCCH, indicating potential alteration of the phase separation.
Investigating Temperature‐Dependent Microscopic Deformation in Tough and Self‐Healing Hydrogel Using Time‐Resolved USAXS
Authors: Chu Zhaoyang , He Kaining , Huang Siqi , Zhang Wenhua , Li Xueyu , Cui Kunpeng
Published: June 2024

Tough and self‐healing hydrogels are typically sensitive to loading rates or temperatures due to the dynamic nature of noncovalent bonds. Understanding the structure evolution under varying loading conditions can provide valuable insights for developing new tough soft materials. In this study, polyampholyte (PA) hydrogel with a hierarchical structure is used as a model system. The evolution of the microscopic structure during loading is investigated under varied loading temperatures. By combining ultra‐small angle X‐ray scattering (USAXS) and Mooney–Rivlin analysis, it is elucidated that the deformation of bicontinuous hard/soft phase networks is closely correlated with the relaxation dynamics or strength of noncovalent bonds. At high loading temperatures, the gel is soft and ductile, and large affine deformation of the phase‐separated networks is observed, correlated with the fast relaxation dynamics of noncovalent bonds. At low loading temperatures, the gel is stiff, and nonaffine deformation occurs from the onset of loading due to the substantial breaking of noncovalent bonds and limited chain mobility as well as weak adaptation of phase deformation to external stretch. This work provides an in‐depth understanding of the relationship between structure and performance of tough and self‐healing hydrogels.
An efficient hybrid deep learning architecture for predicting short antimicrobial peptides
Authors: Nguyen Quang H. , Nguyen‐Vo Thanh‐Hoang , Do Trang T. T. , Nguyen Binh P.
Published: June 2024

Short‐length antimicrobial peptides (AMPs) have been demonstrated to have intensified antimicrobial activities against a wide spectrum of microbes. Therefore, exploration of novel and promising short AMPs is highly essential in developing various types of antimicrobial drugs or treatments. In addition to experimental approaches, computational methods have been developed to improve screening efficiency. Although existing computational methods have achieved satisfactory performance, there is still much room for model improvement. In this study, we proposed iAMP‐DL, an efficient hybrid deep learning architecture, for predicting short AMPs. The model was constructed using two well‐known deep learning architectures: the long short‐term memory architecture and convolutional neural networks. To fairly assess the performance of the model, we compared our model with existing state‐of‐the‐art methods using the same independent test set. Our comparative analysis shows that iAMP‐DL outperformed other methods. Furthermore, to assess the robustness and stability of our model, the experiments were repeated 10 times to observe the variation in prediction efficiency. The results demonstrate that iAMP‐DL is an effective, robust, and stable framework for detecting promising short AMPs. Another comparative study of different negative data sampling methods also confirms the effectiveness of our method and demonstrates that it can also be used to develop a robust model for predicting AMPs in general. The proposed framework was also deployed as an online web server with a user‐friendly interface to support the research community in identifying short AMPs.
Expression of a viral ecdysteroid UDP‐glucosyltransferase enhanced the insecticidal activity of the insect pathogenic fungus Beauveria bassiana
Authors: Zhu Shengan , Feng Xueyao , Liu Yu , Jin Dan , Luo Xingyou , Fan Yanhua
Published: June 2024

BACKGROUND

Entomopathogenic fungi, such as Beauveria bassiana, hold promise as biological control agents against insect pests. However, the efficacy of these fungi can be hindered by insect immune responses. One strategy to enhance fungal virulence is to manipulate host immune by targeting key regulatory molecules like 20‐hydroxyecdysone (20E).

RESULTS

In this study, we engineered B. bassiana strains to constitutively express the enzyme ecdysteroid UDP‐glucosyltransferase (EGT), which inactivates 20E, a crucial insect molting hormone. The engineered strain Bb::EGT‐1 exhibited robust expression of EGT, leading to a significant reduction in insect 20E levels upon infection. Moreover, infection with Bb::EGT‐1 resulted in accelerated larval mortality. Immune responses analysis revealed repression of insect immune response genes and decreased phenoloxidase (PO) activity in larvae infected with Bb::EGT‐1. Microbiome analysis indicated alterations in bacterial composition within infected insects, with increased abundance observed during infection with Bb::EGT‐1. Additionally, the presence of bacteria hindered hyphal emergence from insect cadavers, suggesting a role for microbial competition in fungal dissemination.

CONCLUSIONS

Constitutive expression of EGT in B. bassiana enhances fungal virulence by reducing insect 20E levels, suppressing immune responses, and altering the insect microbiome. These findings highlighted the potential of engineered fungi as effective biocontrol agents against insect pests and provide insights into the complex interactions between entomopathogenic fungi, their hosts, and associated microbes. © 2024 Society of Chemical Industry.
The G143S mutation in cytochrome b confers high resistance to pyraclostrobin in Fusarium pseudograminearum
Authors: Zhang Ziyang , Li Yige , Xu Jinke , Zou Huaihao , Guo Yu , Mao Yushuai , Zhang Jie , Cai Yiqiang , Wang Jianxin , Zhu Chunhua , Wang Xiaoqing , Zhou Mingguo , Duan Yabing
Published: June 2024

BACKGROUND

Wheat crown rot (WCR), primarily caused by Fusarium pseudograminearum has become more and more prevalent in winter wheat areas in China. However, limited fungicides have been registered for the control of WCR in China so far. Pyraclostrobin is a representative quinone outside inhibitor (QoI) with excellent activity against Fusarium spp. There is currently limited research on the resistance risk and resistance mechanism of F. pseudograminearum to pyraclostrobin.

RESULTS

Here, we determined the activity of pyraclostrobin against F. pseudograminearum. The EC50 values ranged from 0.022 to 0.172 μg mL−1 with an average EC50 value of 0.071 ± 0.030 μg mL−1. Four highly pyraclostrobin‐resistant mutants were obtained from two sensitive strains by ultraviolet (UV) mutagenesis in the laboratory. The mutants showed decreased mycelial growth rate and virulence as compared with the corresponding wild‐type strains, indicating that pyraclostrobin resistance suffered a fitness penalty in F. pseudograminearum. It was found that the high resistance of four mutants was caused by the G143S mutation in Cytb. Molecular docking analysis also further confirms that the G143S mutation in Cytb decreased the binding affinity between pyraclostrobin and Cytb.

CONCLUSION

The resistance risk of F. pseudograminearum to pyraclostrobin could be low to medium. Although a mutation at the G143S position of Cytb could potentially occur, this mutation decreases the fitness of the mutant, which may reduce its survival in the environment. Therefore, the negative consequences of a possible mutation are lower. This makes pyraclostrobin a good candidate for controlling crown rot in wheat. © 2024 Society of Chemical Industry.
Carnosol prevents cardiac remodeling and ventricular arrhythmias in pressure overload‐induced heart failure mice
Authors: Fang Zhao , Lu Ming , Huang Rui , Wang Guangji , Yushanjiang Feierkaiti , Jiang Xuejun , Li Jun
Published: June 2024

Cardiac remodeling is a commonly observed pathophysiological phenomenon associated with the progression of heart failure in various cardiovascular disorders. Carnosol, a phenolic compound extracted from rosemary, possesses noteworthy pharmacological properties including anti‐inflammatory, antioxidant, and anti‐apoptotic activities. Considering the pivotal involvement of inflammation, oxidative stress, and apoptosis in cardiac remodeling, the present study aims to assess the effects of carnosol on cardiac remodeling and elucidate the underlying mechanisms. In an in vivo model, cardiac remodeling was induced by performing transverse aortic constriction (TAC) surgery on mice, while an in vitro model was established by treating neonatal rat cardiomyocytes (NRCMs) with Ang II. Our results revealed that carnosol treatment effectively ameliorated TAC‐induced myocardial hypertrophy and fibrosis, thereby attenuating cardiac dysfunction in mice. Moreover, carnosol improved cardiac electrical remodeling and restored connexin 43 expression, thereby reducing the vulnerability to ventricular fibrillation (VF). Furthermore, carnosol significantly reduced Ang II‐induced cardiomyocyte hypertrophy in NRCMs and alleviated the upregulation of hypertrophy and fibrosis markers. Both in vivo and in vitro models of cardiac remodeling exhibited the anti‐inflammatory, anti‐oxidative, and anti‐apoptotic effects of carnosol. Mechanistically, these effects were mediated through the Sirt1/PI3K/AKT pathway, as the protective effects of carnosol were abrogated upon inhibition of Sirt1 or activation of the PI3K/AKT pathway. In summary, our study suggests that carnosol prevents cardiac structural and electrical remodeling by regulating the anti‐inflammatory, anti‐oxidative, and anti‐apoptotic effects mediated by Sirt1/PI3K/AKT signaling pathways, thereby alleviating heart failure and VF.
Genistein: A promising phytoconstituent with reference to its bioactivities
Authors: Shete Vaishnavi , Mahajan Nilesh M. , Shivhare Ruchi , Akkewar Ashish , Gupta Amisha , Gurav Shailendra
Published: June 2024

Genistein, a potent phytoconstituent, has garnered significant attention for its diverse bioactivities, making it a subject of extensive research and exploration. This review delves into the multifaceted properties of genistein, encompassing its antioxidant and anticancer potential. Its ability to modulate various cellular pathways and interact with diverse molecular targets has positioned it as a promising candidate in the prevention and treatment of various diseases. This review provides a comprehensive examination of Genistein, covering its chemical properties, methods of isolation, synthesis, therapeutic attributes with regard to cancer management, and the proposed mechanisms of action as put forth by researchers.
Analyzing Quantum Error Resilience for Quantum Communication in Guided and Unguided Media
Authors: Sihare Shyam R.
Published: June 2024

This research examines quantum key distribution and its applications in guided and unguided quantum communication. The importance of secure communication in the quantum era requires a thorough exploration of both guided and unguided quantum communication strategies. The research aims to address the challenges posed by guided channels, such as fiber optics, and unguided channels, such as free‐space quantum communication. This study addresses existing knowledge gaps in quantum error resilience management and signal processing techniques in unguided quantum communication. Advanced quantum gate analysis, environmental noise analysis, and quantum channel modeling techniques are employed. The research presents key findings on the impact of gate imperfections on quantum error resilience in guided media, the influence of noise‐induced errors in unguided media, and a unified metric for assessing various error sources in guided channels. Additionally, the study analyses stabilizer codes and surface codes for error mitigation through quantum error correction strategies. Simulation results provide a benchmark for theoretical predictions and guide the refinement of quantum communication protocols. In this context, machine learning‐based error prediction is introduced as a cutting‐edge approach to enhance the robustness of quantum communication systems.
Integrated multicomponent analysis based on ultra‐high‐performance liquid chromatography coupled with quadrupole‐Exactive Orbitrap mass spectrometry and network pharmacology to elucidate the effective constituents and potential mechanism of Zhibai Dihuang pill in treating childhood precocious puberty
Authors: Zhang Jianguang , Yang Qing , Wulu Jiansang , Zhang Zhifeng
Published: June 2024

Rationale

Childhood precocious puberty (CPP) is a common pediatric endocrine disorder with significant associated risks. Zhibai Dihuang pill (ZBDHP), a classic recipe of the Qing dynasty with its efficacy of nourishing yin and clearing heat, can downregulate the expression of ESR1 in the uterus and ovaries, thereby inhibiting CPP. However, as of now, the main active ingredients and pharmacological mechanisms of ZBDHP remain unclear.

Methods

A comprehensive approach was proposed using ultra‐high‐performance liquid chromatography coupled with quadrupole‐Exactive Orbitrap mass spectrometry (UHPLC‐Q‐Exactive Orbitrap‐MS) and network pharmacology to explore the potentially active constituents of ZBDHP and reveal the underlying mechanisms against CPP. Molecular docking was used to verify the possible mechanisms.

Results

A total of 214 constituents derived were identified via UHPLC‐Q‐Exactive Orbitrap‐MS, and 12 of them were definitely characterized using reference standards. Subsequently, compounds tetrahydropalmatine, alisol C, 25‐anhydroalisol A 11‐acetate, hispidone, cavidine, alisol E, melianone, neogitogenin, denudatin B, and 16β‐hydroperoxyalisol B with related targets PIK3CA, HSD11B1, CYP19A1, AR, PTGS2, CDK2, NR3C1, MMP2, MMP1, and MAPK1 were regarded as key components and targets for ZBDHP treating CPP using the compound–target–pathway network. Besides, the results revealed that the pathways conduced obviously to therapeutic efficacy, including pathways in cancer, neuroactive ligand–receptor interaction, and cyclic adenosine monophosphate（cAMP） signaling pathways. Molecular docking indicated that PIK3CA, HSD11B1, and CYP19A1 exhibited high affinities to corresponding compounds. Overall, the study determined the multicomponent, multitarget, and multipathway mechanisms of ZBDHP against CPP.

Conclusions

This study provided a new method for exploring the chemical constituents and pharmacology mechanism of traditional Chinese medicine.
Tunable colors from responsive 2D materials
Authors: Wang Feng , Lyu Rong , Xu Hongwei , Gong Rui , Ding Baofu
Published: June 2024

One of the long‐sought‐after goals in responsive material development is to generate and tune colors for advanced and emerging applications such as dynamic displays, light‐emitting diodes, lasers, smart windows, chromic fabrics, high‐security encryption, and visual sensors. Benefiting from the atomically thin nature as well as strong optical interaction, two‐dimensional (2D) materials can serve as color‐generating centers for both chemical pigment colors and physical interference colors in solution, gels, films, and matrix interface systems, to offer new promises for color science and applications. Concerning color tunability, 2D material systems have been demonstrated as one of the ideal responsive materials to achieve the desired goals, including the change of composition, layer thickness, strain, magic angle, and thermally/photically/chemically responsive, magnetically‐responsive, electrically‐responsive, mechanically‐responsive. This makes it an attractive prospect for device applications such as optoelectronics, displays, and nanomedicine. However, to the best of our knowledge, no comprehensive review has been reported specifically on color‐centered aspects of 2D materials. In this review, we highlight experimental approaches and related applications for tuning pigment colors, reflective structural colors, and transmissive interference colors, and we refine the challenges and propose opportunities in future studies for the further development of color science in the 2D material system. Eventually, it is anticipated that this review will serve as a resource and source of inspiration for scientists, as well as open up new avenues for the advancement of color science and related fields in responsive 2D material systems.
Detecting responsible nodes in differential Bayesian networks
Authors: Huang Xianzheng , Zhang Hongmei
Published: June 2024

To study the roles that different nodes play in differentiating Bayesian networks under two states, such as control versus disease, we formulate two node‐specific scores to facilitate such assessment. The first score is motivated by the prediction invariance property of a causal model. The second score results from modifying an existing score constructed for differential analysis of undirected networks. We develop strategies based on these scores to identify nodes responsible for topological differences between two Bayesian networks. Synthetic data and real‐life data from designed experiments are used to demonstrate the efficacy of the proposed methods in detecting responsible nodes.
Bridging the gap between two‐stage and joint models: The case of tumor growth inhibition and overall survival models
Authors: Alvares Danilo , Mercier François
Published: June 2024

Many clinical trials generate both longitudinal biomarker and time‐to‐event data. We might be interested in their relationship, as in the case of tumor size and overall survival in oncology drug development. Many well‐established methods exist for analyzing such data either sequentially (two‐stage models) or simultaneously (joint models). Two‐stage modeling (2stgM) has been challenged (i) for not acknowledging that biomarkers are endogenous covariable to the survival submodel and (ii) for not propagating the uncertainty of the longitudinal biomarker submodel to the survival submodel. On the other hand, joint modeling (JM), which properly circumvents both problems, has been criticized for being time‐consuming, and difficult to use in practice. In this paper, we explore a third approach, referred to as a novel two‐stage modeling (N2stgM). This strategy reduces the model complexity without compromising the parameter estimate accuracy. The three approaches (2stgM, JM, and N2stgM) are formulated, and a Bayesian framework is considered for their implementation. Both real and simulated data were used to analyze the performance of such approaches. In all scenarios, our proposal estimated the parameters approximately as JM but without being computationally expensive, while 2stgM produced biased results.
Study on Real‐Time Temperature of a 35 kW Vanadium Stack and Its Influences on the Performance of a Vanadium Redox Flow Battery
Authors: Luo Lijuan , Yu Longhai , Zeng Kun , Huang Tao
Published: June 2024

The temperature is a very important parameter for an operating vanadium redox flow battery (VRFB). During charging and discharging, the temperature of VRFB is constantly changing. In this paper, a self‐made 35 kW vanadium stack was charged & discharged at the current density of 100 and 120 mA cm−2 to investigate the change trend of real‐time operating temperature. The results show that the temperature decreases during charging and increases during discharging. And the average temperature of each cycle increases with continuous charge‐discharge cycles. The influences of real‐time temperature on performance of columbic efficiency (CE), voltage efficient (VE), over‐potential, capacity, energy, state of charge (SOC), and pressure loss were further investigated. The results show that the temperature fluctuation largely affects the electrochemical properties of VRFB. With the real‐time average temperature increased from 16.02 °C to 29.91 °C, the VE, capacity, energy and the SOC range of the battery increased, while the CE, the over‐potential and the average pressure loss decreased. This work not only gives data support to temperature management of VFB, but also provides direction to the engineering application of all flow batteries.
First‐Principles Investigation of Electronic and Thermodynamic Properties of Honeycomb CuSe
Authors: Batool Attia , Saleem Muhammad Imran , Cao Chuanbao
Published: June 2024

In the realm of materials science, a fascinating class of substances known as topological nodal line semimetals have garnered significant attention. These materials possess distinctive quantum states, characterized by topologically nontrivial conduction and valence bands that intricately intersect with the Fermi level. Such unique band structures give these materials a plethora of surprising properties, including the emergence of flat Landau levels and the appearance of long‐range Coulomb interactions. Notably, certain bulk materials, namely PbTaSe2, ZrSiS, PtSn4, and Cu2Si, exhibit these intriguing topological nodal lines. However, the theoretical investigation pertaining to CuSe and its Dirac nodal line properties remains relatively limited. In this work, we have employed simulations on CuSe to elucidate its distinctive physical properties such as a Dirac matter. There exist Dirac bands and band inversion in the vicinity of Fermi levels, and Fermi surface holds a Horn‐like structure. We pointed out the occurrence of mirror reflection symmetry‐protected Dirac nodal line fermions in copper selenide (CuSe) that make CuSe a candidate for Dirac nodal line fermion started by the Se 4p and Cu 3d orbitals. The nontrivial topological edge states further verify our proposal of the mirror reflection symmetry is broken by spin‐orbit coupling. These findings provide a new perspective that advances our comprehension of the remarkable properties exhibited by these materials, thereby paving the way for the development of high‐speed and low‐dissipation devices in the future.
Dibenzothiophene Bridged Bis‐Bodipy and Bis‐Metal Dipyrrin Complexes
Authors: Kaur Gurpreet , Ravikanth Mangalampalli
Published: June 2024

Dibenzothiophene (DBT) bridged bis‐dipyrromethane was synthesized by treating readily available 4,6‐di(p‐formylphenyl) dibenzothophene with pyrrole under acid catalyzed conditions. The DBT bridged bis‐dipyrromethane was further oxidized with DDQ to afford the DBT bridged bis‐dipyrrin which was used as a ligand to prepare DBT bridged bis‐BODIPY, bis‐Ni(II) dipyrrin and bis‐Pd(II) dipyrrin complexes by treating the ligand with BF3 ⋅ Et2O, Ni(acac)2 and Pd(acac)2 respectively under mild reaction conditions. The DBT‐bridged bis‐BODIPY and bis‐metal dipyrrin complexes were thoroughly characterized and studied by HR‐MS, 1D & 2D NMR, absorption, fluorescence, cyclic voltammetry and DFT techniques. The bis‐BODIPY and bis‐Pd(II) dipyrrin showed highly intense absorption band at ~500 nm along with one low intense absorption band at 340 nm whereas the bis‐Ni(II) dipyrrin complex showed slightly broadened blue shifted high intense band at 490 nm along with one additional band at 426 nm. The bis‐BODIPY was fluorescent with fluorescence band at 524 nm and quantum yield of 0.031 whereas bis‐M(II) dipyrrin complexes were nonfluorescent. DFT optimized structures revealed that the BODIPY units are more planar with the dibenzophene moiety in bis‐BODIPY with an angle of ∼5.68°. However, in 3‐Pd and 3‐Ni, the M(II)‐dipyrrin units are much more deviated from the dibenzothiophene plane with an angle of 12.81°–14.23°.