bluuebunny/crossref_metadata_2025_split huggingface dataset:
In silico Molecular Docking Study of Some Novel Chalcone Derivatives as Anticancer Agents
Authors: Devi Meena , Dahiya Devprakash , Sharma Nitika , Soni Abhishek , Kumari Chinu , Yamini  
Published: August 2023

We were encouraged to design and produce a new series of chalcone derivatives since there is a critical need for novel anticancer drugs with high selectivity for cancer cells. Chalcones are members of the flavonoid family that act as precursors in the production of flavonoids, which are plentiful in plants. Chalcones are significant starting points for synthetic modifications and serve as mediators in the synthesis of critical therapeutic compounds. Cancer is one of the leading causes of death globally. New compounds still need to be found to cure cancer. In certain cancer cells, chalcone and its derivatives have anticancer potential. Modern medication design frequently uses molecular docking to understand drug-receptor interaction. Docking studies are a crucial technique for enabling the organised use of the structural variety of natural products. The Molegro Virtual Docker 6.0 was used in this work to conduct docking investigations on natural anticancer drugs that contained chalcone. Using the software Molegro Virtual Docker 6.0, we docked the protein crystal structure of human T-cell leukaemia virus protease (2B7F) with several chalcone-based derivatives (AMP-1-56) for our study project. Among the compounds AMP-56, compounds AMP-40, 44, 45, 48, 49, 52, 55 and 56 exhibit good anticancer activity with human T-cell leukaemia virus protease (PDB-2B7F) as compared to the reference drug (Camptothecin). The results are still preliminary, and an experimental evaluation will soon be performed.
Preexposure Prophylaxis for the Prevention of HIV
Authors: Chou Roger , Spencer Hunter , Bougatsos Christina , Blazina Ian , Ahmed Azrah , Selph Shelley 
Published: August 2023

ImportanceA 2019 review for the US Preventive Services Task Force (USPSTF) found oral preexposure prophylaxis (PrEP) associated with decreased HIV infection risk vs placebo or no PrEP in adults at increased HIV acquisition risk. Newer PrEP regimens are available.ObjectiveTo update the 2019 review on PrEP, to inform the USPSTF.Data SourcesOvid MEDLINE, Cochrane Database of Systematic Reviews, Cochrane Central Register of Controlled Trials, and Embase (January 2018 to May 16, 2022); surveillance through March 24, 2023.Study SelectionRandomized clinical trials of PrEP vs placebo or no PrEP or newer vs older PrEP regimens and diagnostic accuracy studies of instruments for predicting incident HIV infection.Data Extraction and SynthesisDual review of titles and abstracts, full-text articles, study quality, and data abstraction. Data were pooled using the DerSimonian and Laird random-effects model.Main Outcomes and MeasuresHIV acquisition, mortality, and harms; and diagnostic test accuracy.ResultsThirty-two studies were included in the review (20 randomized clinical trials [N = 36 575] and 12 studies of diagnostic accuracy [N = 5 544 500]). Eleven trials in the 2019 review found oral PrEP associated with decreased HIV infection risk vs placebo or no PrEP (n = 18 172; relative risk [RR], 0.46 [95% CI, 0.33-0.66]). Higher adherence was associated with greater efficacy. One new trial (n = 5387) found oral tenofovir alafenamide/emtricitabine (TAF/FTC) to be noninferior to tenofovir disoproxil fumarate/emtricitabine (TDF/FTC) in men who have sex with men (RR, 0.53 [95% CI, 0.23-1.26]). Two new trials found long-acting injectable cabotegravir associated with decreased risk of HIV infection vs oral TDF/FTC (RR, 0.33 [95% CI, 0.18-0.62] in cisgender men who have sex with men and transgender women [n = 4490] and RR, 0.11 [95% CI, 0.04-0.31] in cisgender women [n = 3178]). Discrimination of instruments for predicting incident HIV infection was moderate in men who have sex with men (5 studies; n = 25 488) and moderate to high in general populations of persons without HIV (2 studies; n = 5 477 291).Conclusions and RelevanceIn adults at increased HIV acquisition risk, oral PrEP was associated with decreased risk of acquiring HIV infection compared with placebo or no PrEP. Oral TAF/FTC was noninferior to oral TDF/FTC, and injectable cabotegravir reduced the risk of HIV infection compared with oral TDF/FTC in the populations studied.
Spatial targeting of woodland creation can reduce the colonisation credit of woodland plants
Authors: Hughes Samuel , Kunin William , Ziv Guy , Watts Kevin 
Published: August 2023

Abstract

Colonisation credit refers to the temporal lag between positive conservation actions and species' responses and may be one of the reasons we fail to meet short‐term conservation targets. This is particularly evident in woodlands which take decades to develop and harbour slow colonising species. Given global objectives to increase woodland cover, it is important to know the timeframe within which colonisation credit will be fulfilled.

The colonisation of woodland plants was examined in recent woodlands, created between 15 and 80 years ago, and located adjacent or isolated from existing ancient woodlands. Colonisation credit was calculated as the proportion of understory woodland plant species in the nearest ancient woodland which had not colonised recent woodlands. Looking at individual species traits also allowed us to tease apart their impact on the species colonisation and establishment ability.

Spatial adjacency between created and ancient woodland reduced colonisation credit by an average of 28%, and more mature created woodlands (50–80 years old) had fulfilled 24% more of their colonisation credit on average than younger created woodlands (15–21 years old). However, mature woodlands created adjacent to ancient woodlands had still only been colonised by an average of 72% of the available species pool.

Plants which had reached adjacent created woodlands were dispersed by a range of mechanisms, where those that had reached more isolated sites were largely dispersed by birds or mammals. Low community weighted mean shade tolerance, high community weighted nutrient affiliation, and the dominance of Hedera helix suggest that competition from dominant natives may be preventing certain species establishing in new woodlands.

This research demonstrates the need to account for appropriate time‐lags when setting biodiversity targets, with most sites still displaying colonisation credit decades after they were created. The results also indicate that spatially targeting woodland creation adjacent to species‐rich mature woodlands should be prioritised. Still, poor local habitat conditions may lead to the dominance of specific competitors which prevent a range of other species from establishing. Local management interventions such as translocations and tree thinning may ameliorate this but further research is needed.
Sampled‐data control for cyber physical systems via identifying false data injection attacks
Authors: Yu Peng , Wei Jingliang , Jia Ruizhe , Wang Jimin , Guo Jin 
Published: August 2023

SummaryIn this paper, we discuss the security control problem of cyber physical systems based on identifying false data injection attacks. First, the unknown adversary randomly attacks the measurement output, a mechanism is set in the sensor to update the measurement output to the constant, called the one‐valued quantized mechanism. Then, the Bienayme–Chebyshev inequality and the one‐valued quantized mechanism are utilized to design an identification algorithm, the estimated value of the false data injection attack and the minimum identification time can be obtained. Furthermore, based on the LMI theory, sampled‐data control gains with and without attacks are obtained to ensure the system mean‐square exponential stable, respectively. And the corresponding maximum sampling period of the controller is obtained. Finally, numerical examples verify the correctness and effectiveness of the theory.
Natural Compounds Derived from Plants on Prevention and Treatment of Renal Cell Carcinoma: A Literature Review
Authors: Yin Zhenjie , You Bingyong , Bai Yuanyuan , Zhao Yu , Liao Shangfan , Sun Yingming , Wu Yongyang 
Published: August 2023

AbstractRenal cell carcinoma (RCC) accounts for roughly 85% of all malignant kidney cancer. Therapeutic options for RCC have expanded rapidly over the past decade. Targeted therapy and immunotherapy have ushered in a new era of the treatment of RCC, which has facilitated the outcomes of RCC. However, the related adverse effects and drug resistance remain an urgent issue. Natural compounds are optional strategies to reduce mobility. Natural compounds are favored by clinicians and researchers due to their good tolerance and low economic burden. Many studies have explored the anti‐RCC activity of natural products and revealed relevant mechanisms. In this article, the chemoprevention and therapeutic potential of natural compounds is reviewed and the mechanisms regarding natural compounds are explored.
Study Transportation of Drugs within Newly Established Murine Colon Organoid Systems
Authors: Davoudi Zahra , Atherly Todd , Borcherding Dana C. , Jergens Albert E. , Wannemuehler Michael , Barrett Terrence A. , Wang Qun 
Published: August 2023

AbstractThe development of 3D organoids of the small intestine is a tremendous breakthrough in drug development and biological research. However, the development of colonic organoids (i.e., colonoids) is particularly challenging due to a lack of simple, cost‐effective protocols for colonoid cultivation. Here, intestinal homogenates are described as a supplement to the culture medium for maintaining and replicating colonic stem cells. Colonoids generated by this cultivation protocol demonstrate substantial proliferation and differentiation (3 months). There is a similarity between cultured colonoids and primary colon tissue regarding structure and functionality. To evaluate the functionality of colonoids, permeability testing is performed with suspensions of 4 and 40 kDa fluorescein isothiocyanate‐dextran (FITC‐DEX). It is observed that neither can permeate the healthy epithelial barrier. The P‐glycoprotein receptor, a vital drug efflux pump mitigating potential drug toxicity, is functionally manipulated, as evidenced by its inhibition function by verapamil and monitoring uptake of Rhodamin 123. In addition, Forskolin treatment which affects chloride transport results in organoid swelling; this confirms the functional expression of the CFTR transporter in the colonoids. This protocol to generate colonoids is promising for high‐throughput drug screening, toxicity testing, and oral drug development.
Short‐term wind power prediction based on the combination of firefly optimization and LSTM
Authors: Zhang Rui , Zheng Xiu 
Published: August 2023

AbstractWith the development of social resources, people's consumption of energy is huge, so renewable energy, such as wind energy, has been widely concerned and developed. Although there has been sufficient development of wind power generation, its output has some problems such as uncertainty, which leads to insufficient utilization of wind energy resources and uneven power output quality level, which brings great challenges to the grid connection. To solve this problem, a short‐term wind power prediction model combining firefly algorithm and long term memory network is proposed. The main motivation of the research is to improve the accuracy of wind power prediction and thus improve the utilization of wind energy resources. Compared with the existing methods, the innovation of FA‐LSTM model lies in the integration of the two algorithms, making full use of the advantages of FA in global search optimization and LSTM in time series data processing, and improving the accuracy and stability of prediction. During the experiment, we used different wind farm data to train and test the model. The results show that the FA‐LSTM model can improve the optimal fitness by more than 50% compared with other algorithms, and the iterative prediction error is smaller. Standard root mean square error (RMSE) and mean absolute error (MAE) were used to evaluate the model. The accuracy of RMSE and MAE reached over 97% and 98% respectively. When the test data is highly volatile, the data accuracy of FA‐LSTM model reaches 92% and 94%, and the FA‐LSTM model drops to the stable value faster. FA‐LSTM model has the best fitting degree with the true value curve, and the fitting degree reaches more than 90%. Comparing the actual power and predicted power of different units, the actual power of Unit 1 is 34.875, and the predicted power obtained by FA‐LSTM model is 34.935, with an error of only 0.06. The key finding of this study is that the prediction model combining FA and LSTM has high accuracy and stability in wind power prediction, and can effectively deal with the uncertainty and volatility of wind energy resource utilization. FA‐LSTM model provides an effective solution for wind power prediction, which is helpful to improve the utilization rate of wind energy resources.
Flow field analysis of combustion fallout propensity test system based on CFD
Authors: Sang Yaoshuo , Dong Hao , Ye Shizhu , Guo Chaohao , Zhang Long , Li Zhigang , Liu Yong 
Published: August 2023

AbstractThe flow field of the environment plays a crucial role in cigarette combustion cone fallout propensity test, with air velocity exhibiting a positive correlation with combustion volume. In order to minimize the impact of the environmental flow field on the test results, it is necessary to control the air speed within the range of 200 ± 30 mm/s in the test area of each tobacco test channel. To address this concern, which used the Realizable k‐ε model to develop a mathematical model of the testing environment. The uniformity of air speed in each channel and its relationship with structural parameters were then analyzed. Based on these findings, the key structural parameters of the ventilation hood are optimized. After restimulated the optimized model, the results demonstrate a higher level of uniformity in the environmental flow field of the optimized section. To validate the accuracy of the simulation results, measurements indicated that the maximum air speed value at all points is 225.6 mm/s, while the minimum value is 178.44 mm/s. These values fall within the specified range of 200 ± 30 mm/s, thus meeting the design requirements. This study ensures that the cigarette can burn in a steady state during the cigarette combustion fallout propensity test and improves the stability of the cigarette combustion cone drop tendency test results.
Non‐Lignin Constructing the Gas–Solid Interface for Enhancing the Photothermal Catalytic Water Vapor Splitting
Authors: Li Jinghan , Ding Lingling , Su Zhiyuan , Li Kun , Fang Fan , Sun Ruixue , Qin Yalei , Chang Kun 
Published: August 2023

AbstractThe progress of solar‐driven water‐splitting technology has been impeded by the limited light response capability of semiconductor materials. Despite attempts to leverage nearly 50% of infrared radiation for photothermal synergy and catalytic reaction enhancement, heat loss during liquid phase reactions results in low energy conversion efficiency. Here, the photothermally driven catalytic water‐splitting system, which designs K‐SrTiO3‐loaded TiN silica wool at the water–air interface. Photocatalytic tests and density functional theory calculations demonstrate that the thermal effect transforms liquid water into water vapor, thereby reducing the reaction free energy of catalysts and improving the transmission rate of catalytic products. Hence, the hydrogen evolution rate reaches 275.46 mmol m−2 h−1, and the solar‐to‐hydrogen (STH) efficiency is 1.81% under 1 sun irradiation in this gas–solid system, which is more than twice that of liquid water splitting. This novel photothermal catalytic pathway, which involves a coupled reaction of water evaporation and water splitting, is anticipated to broaden the utilization range of the solar spectrum and significantly enhance the conversion efficiency of STH.
Superhydrophobic Photocatalytic Self‐Cleaning Nanocellulose‐Based Strain Sensor for Full‐Range Human Motion Monitoring
Authors: Yin Zuozhu , Chen Xiaoxiang , Chen Zongbao , Song Huaitong , Lv Pengyu , Xue Mingshan , Li Hongyuan 
Published: August 2023

AbstractNanocellulose‐based strain sensor (NBSS) have been a subject of growing interest for wearable electronics. However, these electronic devices are susceptible to damage when they come into contact with water and organic contaminants. Recently, researchers have developed a superhydrophobic NBSS. Unfortunately, it does not treat organic pollutants in water when used in an underwater environment. In this paper, a new solution: a superhydrophobic photocatalytic self‐cleaning NBSS created through scrape coating and dip coating methods is proposed. This new method shows outstanding self‐cleaning capabilities against water and organic contaminants due to the synergistic effects of the superhydrophobicity and photocatalysis of MnO2 nanoparticles. Furthermore, the superhydrophobic photocatalytic self‐cleaning NBSS has an exceptional response time of 0.66 s, a fast recovery time of 0.81 s, a sensitivity ≈66.53 at a strain of 0.5%. It is expect that the superhydrophobic photocatalytic self‐cleaning NBSS can monitor human movements, including finger twists, wrist movements, elbow bends, and knee movements. Not only is the fabrication method cost‐effective and scalable, but the new NBSS holds great promise in a wide range of fields, including human‐machine interactive systems, smart systems, and human‐body monitoring. Overall, the study provides significant guidance for future designs for wearable strain sensors.
Vertically‐Aligned Ag Nanowire Array‐Based Metamaterial with High Refractive Index and Low‐Dispersion in the Infrared Band
Authors: Chen Zhilin , Gao Junhua , Wang Xinpeng , Jiang Yuxin , Wu Haichen , Tang Shiwei , Xin Jian , Yuan Guangcai , Cao Hongtao 
Published: August 2023

AbstractTo open new vistas for designing nanophotonic systems, exploiting high refractive index (RI) availability is now drawing attention worldwide, especially in the visible‐infrared range. Based upon the nanoscale close‐packed arrangement of metallic nano‐units, few optical‐frequency metamaterials with high RIs have been demonstrated. However, there are still significant challenges in their RI promotion, tuneability, and integrated preparation for practical applications. Herein, a novel Ag nanowire‐based metamaterial scheme is put forward, in which vertically aligned Ag nanowire (NW) array embedded‐Si or ‐Ge composites are made. Thanks to flexible control on microstructure parameters of Ag NWs (meta‐unit) and their dielectric environment, the synergistic effect of enhanced capacitive coupling and weakened diamagnetic response is created, leading to a recorded near‐infrared high‐RI of ≈7.2, low‐dispersion from 2 to 10 µm, and customizable RIs. Further, an air nanohole array‐Si composite layer, acting as an impedance matching layer, is utilized to realize the transmittance increase of the metamaterial film by ≈50% at specific wavelengths, along with the bulk plasmon‐polariton (BPP) modes resonances in the interwire nanocavities. This approach to increasing the infrared refractive index can circumvent physical effect conflict in high RI metamaterials and pave a basis for future scalable and on‐demand photonic applications.
Space‐Confined Growth of Co9S8 Nanoparticles in Covalent Organic Framework‐Derived Porous Carbon for Efficient Bifunctional Oxygen Electrocatalysis
Authors: Wang Jingyun , Li Wei , Li Yanhong , Huang Aisheng 
Published: August 2023

AbstractFine regulation of the physicochemical structure of carbon‐based electrocatalysts to optimize the adsorption energies of oxygen intermediates is critically important to enhance the reaction kinetics of the oxygen evolution/reduction reaction (OER/ORR) but remains a huge challenge. Herein, nano‐space confined growth of Co9S8 nanoparticles (NPs) in porous carbon is realized through an in situ confined growth strategy by using thiol‐chains functionalized COF (COF‐S‐SH) as a confined template. COF‐S‐SH is used as binding sites to immobilize Co ions to improve the interaction between metal nanoparticles (NPs) and carbon skeletons, and simultaneously serves as a confined void to avoid the aggregation metal NPs. Impressively, as an efficient bifunctional catalyst, the resulting Co9S8/COF‐S800 shows significantly enhanced oxygen electrocatalysis with a small OER‐ORR voltage gap of 0.76 V, vastly superior to that of pristine COF‐S800. Furthermore, the assembled Zn–air battery with Co9S8/COF‐S800 catalyst displays a high peak power density of 181.5 mW cm−2 and great durability over 60 h charge–discharge cycles.
The Effect of Chemical Environment and Temperature on the Domain Structure of Free‐Standing BaTiO3 via In Situ STEM
Authors: O'Reilly Tamsin , Holsgrove Kristina M. , Zhang Xinqiao , Scott John J. R. , Gaponenko Iaro , Kumar Praveen , Agar Joshua , Paruch Patrycja , Arredondo Miryam 
Published: August 2023

AbstractFerroelectrics, due to their polar nature and reversible switching, can be used to dynamically control surface chemistry for catalysis, chemical switching, and other applications such as water splitting. However, this is a complex phenomenon where ferroelectric domain orientation and switching are intimately linked to surface charges. In this work, the temperature‐induced domain behavior of ferroelectric‐ferroelastic domains in free‐standing BaTiO3 films under different gas environments, including vacuum and oxygen‐rich, is studied by in situ scanning transmission electron microscopy (STEM). An automated pathway to statistically disentangle and detect domain structure transformations using deep autoencoders, providing a pathway towards real‐time analysis is also established. These results show a clear difference in the temperature at which phase transition occurs and the domain behavior between various environments, with a peculiar domain reconfiguration at low temperatures, from a‐c to a‐a at ≈60 °C. The vacuum environment exhibits a rich domain structure, while under the oxidizing environment, the domain structure is largely suppressed. The direct visualization provided by in situ gas and heating STEM allows to investigate the influence of external variables such as gas, pressure, and temperature, on oxide surfaces in a dynamic manner, providing invaluable insights into the intricate surface‐screening mechanisms in ferroelectrics.