bluuebunny/crossref_metadata_2025 huggingface dataset:
The current therapeutic cancer vaccines landscape in non‐small cell lung cancer
Authors: Chen Shaoyi , Cheng Sida , Cai Jingsheng , Liu Zheng , Li Haoran , Wang Peiyu , Li Yun , Yang Fan , Chen Kezhong , Qiu Mantang
Published: August 2024

Currently, conventional immunotherapies for the treatment of non‐small cell lung cancer (NSCLC) have low response rates and benefit only a minority of patients, particularly those with advanced disease, so novel therapeutic strategies are urgent deeded. Therapeutic cancer vaccines, a form of active immunotherapy, harness potential to activate the adaptive immune system against tumor cells via antigen cross‐presentation. Cancer vaccines can establish enduring immune memory and guard against recurrences. Vaccine‐induced tumor cell death prompts antigen epitope spreading, activating functional T cells and thereby sustaining a cancer‐immunity cycle. The success of vaccines against severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) has rendered cancer vaccines a promising avenue, especially when combined with immunotherapy or chemoradiotherapy for NSCLC. This review delves into the intricate antitumor immune mechanisms underlying therapeutic cancer vaccines, enumerates the tumor antigen spectrum of NSCLC, discusses different cancer vaccines progress and summarizes relevant clinical trials. Additionally, we analyze the combination strategies, current limitations, and future prospects of cancer vaccines in NSCLC treatment, aiming to offer fresh insights for their clinical application in managing NSCLC. Overall, cancer vaccines offer promising potential for NSCLC treatment, particularly combining with chemoradiotherapy or immunotherapy could further improve survival in advanced patients. Exploring inhaled vaccines or prophylactic vaccines represents a crucial research avenue.
Using industrial computed tomography to determine the spatial distribution of clogging substances in drip irrigation emitter flow channels
Authors: Yao Yuqian , Shen Yan , Ma Changjian , Zhang Kai , Li Jingzhi , Xiao Yang , Li Yunkai
Published: August 2024

Drip irrigation using poor‐quality water is effective for addressing agricultural water shortages, but it can lead to emitter clogging. However, little is known about the formation behaviour of clogging substances inside emitters when using reclaimed effluent. This study used industrial computed tomography (ICT) to determine the spatial distribution of clogging substances within emitter flow channels. The results showed that 21%–27% of the clogging substances were on the top face, and 20%–26% were on the substrate face, with less than 20% on the downstream and root faces. Clogging substances concentrated at the front of flow channels accounted for 38%–61% of the first structural unit. As the flow channel length increased, there was a significant fluctuation in the volume of clogging substances on the upstream and downstream faces, while changes on the upstream face, downstream face and root face exhibited relatively minor fluctuations. It is recommended to focus on controlling clogging substances on the top and substrate faces, as well as at the front of the emitter flow channel. These findings contribute to a better understanding of the spatial distribution of clogging substances in emitter flow channels, which is crucial for the development of anti‐clogging emitters and the promotion of poor‐quality water drip irrigation technology.
Revisiting the role of governance and institutions on agricultural production
Authors: Lin Jessie , Fiankor Dela‐Dem Doe , Rosero Gabriel
Published: August 2024

This paper revisits the 2008 paper in Food Policy, “Governance and agricultural productivity: A cross‐national analysis.” We estimate a country‐level production function to assess the relationship between institutional indicators and agricultural production. We extend the analysis to a 22‐year panel and use different functional forms. We test whether the governance and agricultural production effect varies across high and low‐income countries. To check whether the choice of institutional measure drives the findings, we use two alternative indices. Our findings confirm the role of governance and institutions with quantitative differences in the estimates. We further discuss these and other heterogeneity in the paper.
Protective procedures in functional analysis of self‐injurious behavior: An updated scoping review
Authors: Frank‐Crawford Michelle A. , Piersma Drew E. , Fernandez Nathalie , Tate Savannah A. , Bustamante Erik A.
Published: August 2024

Despite the efficacy of functional analyses in identifying the function of challenging behavior, clinicians report not always using them, partly due to safety concerns. Understanding how researchers employ safeguards to mitigate risks, particularly with dangerous topographies like self‐injurious behavior (SIB), is important to guide research and practice. However, the results of a scoping review of functional analyses of self‐injurious behavior conducted by Weeden et al. (2010) revealed that only 19.83% of publications included protections. We extended the work of Weeden et al. to determine whether reporting has improved. We observed increases in all but two types of protections reviewed by Weeden et al. Additionally, we included new protections not reported by Weeden et al. In total, 69.52% of the studies included at least one protective procedure and 44.39% specified that the protections were used for safety. It appears that reporting has increased since Weeden et al. called for improved descriptions of participant protections.
U‐shaped association between pan‐immune‐inflammation value and periodontitis: NHANES 2009–2014
Authors: Zhou Huan , Zhang Shusen , Miao Di , Cao Ruoyan
Published: August 2024

Background

This study aimed to investigate the relationship between the pan‐immune‐inflammation value (PIV) and periodontitis based on a large national survey.

Methods

In the present cross‐sectional study, data were obtained from the National Health and Nutrition Examination Survey (NHANES) 2009–2014, which included a total of 10,300 participants. The categorization of periodontitis was based on the 2017 classification scheme. The PIV was determined using the formula: (neutrophils count × monocyte count × platelet count)/lymphocytes count. Restricted cubic spline and weighted multivariable logistic regression analyses were employed to evaluate the associations between the PIV with periodontitis.

Results

The associations between PIV and stage III/IV periodontitis followed a U‐shaped pattern (Pnon‐linearity < 0.001). The risk of developing stage III/IV periodontitis showed an increasing trend among participants in the first quartile (odds ratio [OR] = 1.21; 95% confidence interval [CI]: 1.01–1.46), third quartile (OR = 1.34; 95% CI: 1.11–1.61), and fourth quartile (OR = 1.47; 95% CI: 1.25–1.73) compared to those in the second quartile. Subgroup analysis indicated stronger associations of PIV with periodontitis in males (ORQ4vs2 = 1.72, 95% CI: 1.36–2.18) and individuals with hypertension (ORQ4vs2 = 1.78, 95% CI: 1.38–2.28) with significant interactions (Pinteraction < 0.05).

Conclusions

There is a U‐shaped association between PIV and stage III/IV periodontitis, which suggests a potential adjunctive treatment strategy for periodontitis. Higher PIV values were found to have a stronger correlation with stage III/IV periodontitis in males and individuals with hypertension. Further prospective trials are needed to confirm the validity of our results.

Plain Language Summary

A U‐shaped association exists between the pan‐immune inflammation value and periodontitis in US adults, suggesting that maintaining a moderate immune inflammation response is crucial for periodontal health.
The dynamic response mechanism of crops to manganese uptake and transfer mediated by different intercropping crop attributes
Authors: Li Zhixian , Shang Qiuyao , Zou Li , Xing Zhenan , Chen Guoliang , Chen Zhang , Zhou Jianlin , Liu Xiling
Published: August 2024

BACKGROUND

An issue of pressing concern is the manganese contamination in farmland soils adjacent to industrial areas. To address this, intercropping hyperaccumulator plants with crops emerges as a sustainable approach to ensuring food security. This study aims to investigate the influence of intercropping Sedum alfredii with maize or soybean on their growth and the dynamics of manganese accumulation through field experiments.

RESULTS

The results showed that compared with monoculture, the Sedum alfredii–maize intercropping system exhibited a land equivalent ratio (LER) of 1.89, signifying a 71.13% augmentation in bioaccumulation amount (BCA). Additionally, it led to a significant reduction in manganese content in various organs, ranging from 17.05% to 25.50%. However, the Sedum alfredii–soybean intercropping system demonstrated a LER of 1.94, accompanied by a 66.11% increase in BCA, but did not significantly reduce the manganese content in the roots, stems, and pods of soybeans. Furthermore, manganese accumulation in maize and soybean grains was primarily attributed to the aboveground translocation of manganese. The intercropping effect on blocking manganese absorption of maize during growth and maturity is primarily attributed to the earlier manganese accumulation in intercropped maize by 2.63 to 4.35 days, and a reduction of 21.95% in the maximum manganese accumulation rate.

CONCLUSIONS

The study found that manganese accumulation dynamics vary significantly depending on the crop family. Intercropping Sedum alfredii with maize enhances land‐use efficiency and reduces manganese uptake by crops, making it a promising strategy for remediating manganese‐contaminated farmland near industrial areas. © 2024 Society of Chemical Industry.
External Auditory Canal Exostosis and the California Surfer Population: A Cross‐Sectional Study
Authors: Davis Ryan J. , Ayo‐Ajibola Oluwatobiloba , Lin Matthew E. , Doherty Joni K.
Published: August 2024

Objectives

California has the most surfers in the United States and a high prevalence of external auditory canal exostoses (EACEs) among them. We aimed to characterize their EACE knowledge, use of earplugs, and barriers toward earplug use.

Methods

A RedCap survey was distributed to online surfing forums and surfers at California beaches. Descriptive statistics and regression analyses were used to characterize responses.

Results

Our cohort included 334 primarily male (n = 269, 81.52%), college‐educated (n = 237, 71.17%) surfers who were on average 30.79 years old (SD = 11.07). Two hundred and ninety‐seven (90.00%) heard of EACE and 317 (96.06%) believed earplugs prevent EACE. However, 214 (64.85%) had never used earplugs. Multivariable logistic regression found increased age (OR = 1.04, 95% CI = [1.00–1.08], p = 0.03), higher EACE knowledge quiz scores (OR = 1.47, 95% CI = [1.19–1.80], p < 0.001), and primarily surfing in Southern California (OR = 2.19, 95% CI = [1.15–4.16], p = 0.02) increased the likelihood of earplug use. Common reasons against earplug use included reduced hearing, discomfort, and social hindrance. Two hundred and eighty‐seven (86.45%) would wear earplugs following more EACE knowledge. They preferred learning from surf community members, doctors, and surf events.

Conclusion

Low earplug use despite awareness of EACE preventability suggests a need for EACE education among California surfers and more accessible, user‐friendly earplugs. Younger, less‐skilled surfers who were more commonly unaware of EACE may represent a key intervention group. Education could be promoted through partnerships between health professionals and renowned surf organizations, as most participants indicated a willingness to use earplugs post‐education.

Level of Evidence

N/A Laryngoscope, 2024
A Systematic Review of Occult Contralateral Neck Metastasis in Tonsillar Squamous Cell Carcinoma
Authors: Punjabi Nihal , Sharma Arjun , Park Jamie , Kennedy Kari , Inman Jared C.
Published: August 2024

Objective

To determine the prevalence of occult contralateral nodal metastasis in tonsillar squamous cell carcinoma (TSCC) in patients who have undergone bilateral neck dissection.

Data Source

A systematic review of English articles identified from PubMed, Embase, and Web of Science databases.

Review Methods

Search terms included “oropharynx,” “carcinoma,” “lymph node,” and “neck dissection.” Two reviewers independently screened abstracts, reviewed full texts, and extracted data from all studies that presented the prevalence of contralateral occult nodal metastasis in TSCC.

Results

The overall prevalence of occult contralateral nodal metastasis was 10%. The prevalence was 8% for cT1/T2 tumors, 19% for cT3/T4, 1% for N0 in the ipsilateral neck, and 12% for N+. Occult contralateral lymph nodes were most frequently found in neck level II (81%) and level III (19%). No metastatic nodes were found in level I.

Conclusion

Elective neck dissection of the contralateral neck in TSCC is controversial due the historic morbidity caused by the surgery. A widely accepted recommendation suggests performing an elective neck dissection when the prevalence of occult metastasis is between 15% and 20%. The results of this study suggest that elective contralateral neck dissection will identify occult positivity in 19% of patients with T3/T4 tonsil cancer. In T1/T2 or N0 tumors, the diagnostic yield would be considerably lower at 8% and 1%, respectively. Contralateral nodal sampling could be considered based on patient preference after adequate counseling on the risks/benefits of occult nodal detection. More research is needed on other nodal features to formulate treatment guidelines. Laryngoscope, 2024
Compositional Influence of Cross‐linked Polyion Hydrogels from Poly(L‐Lysine) and Poly(L‐Glutamic Acid) on Their Properties for Potential Skin Applications
Authors: Bielas Rafał , Fattah Sarinj , Mielańczyk Łukasz , Pozdeev German , Cryan Sally‐Ann , Heise Andreas
Published: August 2024

Chemically cross‐linked hydrogels are synthesized from a set of protected L‐lysine and L‐glutamic acid containing homo and copolypetides. Cross‐linking of the linear copolypeptides is achieved through the incorporation of L‐tryptophan and its reaction with hexamethylene bis(triazolinodione). Upon deprotection, hydrogels with oppositely charged polypeptides of different L‐lysine and L‐glutamic acid composition form pH‐dependent polyion complexes through electrostatic interaction. The obtained networks show distinct pH‐dependent differences in their water swelling and rheological properties. Hydrogels at pH 4 display higher strengths compared to pH 8 and their rheological properties scale with L‐lysine/L‐glutamic acid ratio. At pH 8 results suggests that ionic interactions and presumably secondary structure effects have a significant impact on the hydrogel properties. This is further evident from the influence of the copolypetide structures, random versus block copolypeptides, used in the cross‐linked hydrogel. None of the hydrogel shows any significant cytotoxicity against skin cell lines.
Chemical Vapor Deposition Toward Efficient Bimetallic Atomically Dispersed Oxygen Reduction Catalysts
Authors: Jia Xudong , Yang Bolong , Cheng Qian , Li Xueli , Xiang Zhonghua
Published: August 2024

Non‐precious metal‐based nitrogen‐doped carbon (M‐Nx/C) shows great potential as a substitute for precious metal Pt‐based catalysts. However, the conventional pyrolytic methods for forming M‐Nx/C active sites are prone to issues such as the lack of synergistic interactions among bimetallic atoms and the potential encasement of active sites, leading to compromised catalytic efficiency and hindered mass transfer. In this work, a highly active FeCo‐N‐C@U‐AC electrocatalyst is developed with a high density of active sites, adequate exposure of catalytic sites, and robust mass transfer capability using the chemical vapor‐phase deposition (CVD) technique. The resulting catalyst demonstrates impressive oxygen reduction reaction (ORR) catalytic performance and stability, with half‐wave potentials of 0.820 V (0.1 M HClO4) and 0.911 V (0.1 M KOH), respectively. It also exhibits significantly enhanced stability, retaining 93.25% and 98.38% of current after continuous 50 000 s of durability testing, surpassing the retention rates of Pt/C (80.31% in HClO4 and 84.96% in KOH electrolytes). Notably, when employed as a cathode catalyst in proton exchange membrane fuel cells (PEMFCs) and zinc‐air flow batteries (ZAFBs), the FeCo‐N‐C@U‐AC catalyst delivers peak power densities of 859 and 162 mW·cm−2, respectively, showcasing competitive performance comparable to benchmark Pt/C.
Assessing compressive mechanical behavior of woven fabric green textile composite using finite element method
Authors: Kumar M. , Tevatia A. , Dixit A.
Published: August 2024

The research aims to forecast the mechanical performance of a hybrid woven fabric natural composite subjected to compression, utilizing the three‐dimensional finite element method. A detailed finite element model of a plain woven fabric unit cell is created and analyzed for different materials like flax, basalt, and jute, and combinations of these materials (inter‐yarn hybrid basalt‐flax, jute‐flax and basalt‐jute fabrics). It is observed that fabric‘s response to compression is mainly influenced by the transverse longitudinal shear behaviour and the stiffness of the yarn cross‐section. Compression of single‐layer woven fabric involves yarn bending and compaction, resulting in varying fiber volume fractions in different areas due to compaction. The basalt‐jute hybrid plain woven fabric outperformed other plant‐based fiber fabrics with a polypropylene matrix in terms of mechanical performance under compression. Increase in yarn spacing and fabric thickness resulted in higher strain energy and displacement, attributed to changes in fiber volume fraction and crimp angle. Whereas, increasing yarn width led to a stiffer fabric due to increased contact area at the crossover region and higher bending rigidity, resulting in decreased strain energy and displacement. Importantly, this developed model can effectively simulate textile fabrics with diverse weaving patterns, material properties, and loading conditions.
Skilful probabilistic medium‐range precipitation and temperature forecasts over Vietnam for the development of a future dengue early warning system
Authors: Main Lucy , Sparrow Sarah , Weisheimer Antje , Wright Matthew
Published: August 2024

Dengue fever is a source of substantial health burden in Vietnam. Given the well‐established influence of temperature and precipitation on vector biology and disease transmission, predictions of meteorological variables, such as those issued by ECMWF as a world‐leading provider of global ensemble forecasts, are likely to be valuable model inputs to a future dengue early warning system. In the absence of established verification at municipal and regional scales, this study assesses the skill of rainy season (May–October) ensemble precipitation and 2‐m temperature retrospective forecasts over North and South Vietnam initialized for dates during the period 2001–2020, evaluated against the ERA5 reanalysis for the same period. Forecasts are found to be significantly skilful compared with both climatology and persistence for lead times up to 10 days, including for cumulative precipitation values considered against independent rain gauge data. Rank histograms demonstrate that ensembles generally avoid excessive bias and consistently positive CRPSS values indicate substantial skill for temperature and cumulative precipitation forecasts for all spatial scales considered, despite differences in rainy season characteristics between North and South Vietnam. This forecast reliability demonstrates that meteorological input data based on ECMWF ensemble forecasts would add appreciably more value to the development of a future dengue early warning system compared to reference forecasts like climatology or persistence. These results raise hope for further exploration of predictive skill for relevant meteorological variables, particularly focused on their downscaling to produce district‐level epidemiological forecasts for urban areas where dengue is most prevalent.
Maculopathy and adult‐onset ataxia in patients with biallelic MFSD8 variants
Authors: Dobloug Sigurd , Kjellström Ulrika , Anderson Glenn , Gardner Emily , Mole Sara E. , Sheth Jayesh , Puschmann Andreas
Published: August 2024

Background

Biallelic variants in the major facilitator superfamily domain containing 8 gene (MFSD8) are associated with distinct clinical presentations that range from typical late‐infantile neuronal ceroid lipofuscinosis type 7 (CLN7 disease) to isolated adult‐onset retinal dystrophy. Classic late‐infantile CLN7 disease is a severe, rare neurological disorder with an age of onset typically between 2 and 6 years, presenting with seizures and/or cognitive regression. Its clinical course is progressive, leading to premature death, and often includes visual loss due to severe retinal dystrophy. In rare cases, pathogenic variants in MFSD8 can be associated with isolated non‐syndromic macular dystrophy with variable age at onset, in which the disease process predominantly or exclusively affects the cones of the macula and where there are no neurological or neuropsychiatric manifestations.

Methods

Here we present longitudinal studies on four adult‐onset patients who were biallelic for four MFSD8 variants.

Results

Two unrelated patients who presented with adult‐onset ataxia and had macular dystrophy on examination were homozygous for a novel variant in MFSD8 NM_152778.4: c.935T>C p.(Ile312Thr). Two other patients presented in adulthood with visual symptoms, and one of these developed mild to moderate cerebellar ataxia years after the onset of visual symptoms.

Conclusions

Our observations expand the knowledge on biallelic pathogenic MFSD8 variants and confirm that these are associated with a spectrum of more heterogeneous clinical phenotypes. In MFSD8‐related disease, adult‐onset recessive ataxia can be the presenting manifestation or may occur in combination with retinal dystrophy.
Sulfotransferase‐mediated phase II drug metabolism prediction of substrates and sites using accessibility and reactivity‐based algorithms
Authors: Vyas Shivam Kumar , Das Avik , Suryanarayana Murty Upadhyayula , Dixit Vaibhav A.
Published: August 2024

Sulphotransferases (SULTs) are a major phase II metabolic enzyme class contributing ~20 % to the Phase II metabolism of FDA‐approved drugs. Ignoring the potential for SULT‐mediated metabolism leaves a strong potential for drug‐drug interactions, often causing late‐stage drug discovery failures or black‐boxed warnings on FDA labels. The existing models use only accessibility descriptors and machine learning (ML) methods for class and site of sulfonation (SOS) predictions for SULT. In this study, a variety of accessibility, reactivity, and hybrid models and algorithms have been developed to make accurate substrate and SOS predictions. Unlike the literature models, reactivity parameters for the aliphatic or aromatic hydroxyl groups (R/Ar−O−H), the Bond Dissociation Energy (BDE) gave accurate models with a True Positive Rate (TPR)=0.84 for SOS predictions. We offer mechanistic insights to explain these novel findings that are not recognized in the literature. The accessibility parameters like the ratio of Chemgauss4 Score (CGS) and Molecular Weight (MW) CGS/MW and distance from cofactor (Dis) were essential for class predictions and showed TPR=0.72. Substrates consistently had lower BDE, Dis, and CGS/MW than non‐substrates. Hybrid models also performed acceptablely for SOS predictions. Using the best models, Algorithms gave an acceptable performance in class prediction: TPR=0.62, False Positive Rate (FPR)=0.24, Balanced accuracy (BA)=0.69, and SOS prediction: TPR=0.98, FPR=0.60, and BA=0.69. A rule‐based method was added to improve the predictive performance, which improved the algorithm TPR, FPR, and BA. Validation using an external dataset of drug‐like compounds gave class prediction: TPR=0.67, FPR=0.00, and SOS prediction: TPR=0.80 and FPR=0.44 for the best Algorithm. Comparisons with standard ML models also show that our algorithm shows higher predictive performance for classification on external datasets. Overall, these models and algorithms (SOS predictor) give accurate substrate class and site (SOS) predictions for SULT‐mediated Phase II metabolism and will be valuable to the drug discovery community in academia and industry. The SOS predictor is freely available for academic/non‐profit research via the GitHub link.
Magneto‐hydrodynamic equations and parametric flag microlocal quantities at binary time interval
Authors: Lou Zhenzhen , Yang Qixiang , He Jianxun
Published: August 2024

In this paper, we establish the well‐posedness of the Cauchy problem for incompressible magneto‐hydrodynamic equations by using parametric Meyer wavelets. The velocity field and magnetic field are expanded according to parametric wavelets given by a discrete set of thresholds. The evolution of these two types of fields is described by the relationship of parameterized flag microlocal quantities over binary time intervals. The corresponding iteration space is defined by the decay of the single norm, and the single norm is defined by the parametric flag microlocal quantities at a set of binary time interval.
The effect of absorbed moisture and resin pressure on porosity in autoclave cured epoxy resin
Authors: Dei Sommi Andrea , Lionetto Francesca , Buccoliero Giuseppe , Maffezzoli Alfonso
Published: August 2024

One of the main issues in epoxy‐based composite manufacturing is the formation of porosity derived from moisture absorption during storage and layup due to the high hydrophilicity of epoxy matrices. During the curing process, the presence of moisture and other volatile compounds can initiate the nucleation and growth of voids. In this study, the effect of both the initial water content absorbed in the uncured resin and the pressure on the porosity development in an epoxy resin was investigated. In particular, Kardos' and Ledru's models, aimed at predicting void formation in polymers, were applied to study the effect of different hydrostatic pressures in an epoxy resin during curing up to the gel point, after conditioning it at two different relative humidity levels, 50% and 95%. Subsequently, the porosity of the cured resin samples was quantified through density measurements. Comparative analysis of the microscopy images of cured samples and the predictions of both models revealed an overestimation of the final void sizes by both models, with the Kardos' model exhibiting a higher deviation. Additionally, a finite element model was employed to investigate the conditions leading to void formation, aiming to understand the factors influencing the porosity development and properly set the process parameters during composite manufacturing.

Highlights

Evaluation of the conditions leading to void growth in epoxy resin during curing

Moisture sorption in uncured epoxy resin

Effect of curing pressure on pore development

Finite element analysis for void growth during resin curing
Tuning the Properties of Iron Oxide Nanoparticles in Thermal Decomposition Synthesis: A Comparative Study of the Influence of Temperature, Ligand Length and Ligand Concentration
Authors: Görke Marion , Okeil Sherif , Menzel Dirk , Semenenko Bogdan , Garnweitner Georg
Published: August 2024

Whilst the synthesis of magnetic nanoparticles via the non‐aqueous thermal decomposition method has proven to lead to the most defined products, the tailoring of their properties is still largely achieved empirically, in particular for metal oxide nanoparticles. In this paper, the influence of ligands with varying length and concentration on the properties of the resulting magnetic nanoparticles is studied, and it is shown that the reaction temperature rather than the ligand length or concentration crucially influences the properties in various ways. The obtained particles are characterized with regard to their size, morphology, crystallinity, and magnetic characteristics, using techniques like transmission electron microscopy (TEM), X‐ray diffraction (XRD), and superconducting quantum interference device (SQUID) magnetometry measurements. It is thereby shown that the optimum choice of ligand and synthesis conditions not only serves to ensure monodispersity of the resulting particles but also to realize high colloidal stability and redispersibility.
Unveiling a Hidden Pocket in HIV‐1 Protease: New Insights Into Retroviral Protease Cantilever‐Tip Region Characteristics
Authors: Sherry Dean , Sayed Yasien
Published: August 2024

The HIV‐1 protease is critical for the process of viral maturation and as such, it is one of the most well characterized proteins in the Protein Data Bank. There is some evidence to suggest that the HIV‐1 protease is capable of accommodating small molecule fragments at several locations on its surface outside of the active site. However, some pockets on the surface of proteins remain unformed in the apo structure and are termed “cryptic sites.” To date, no cryptic sites have been identified in the structure of HIV‐1 protease. Here, we characterize a novel cryptic cantilever pocket on the surface of the HIV‐1 protease through mixed‐solvent molecular dynamics simulations using several probes. Interestingly, we noted that several homologous retroviral proteases exhibit evolutionarily conserved dynamics in the cantilever region and possess a conserved pocket in the cantilever region. Immobilization of the cantilever region of the HIV‐1 protease via disulfide cross‐linking resulted in curling‐in of the flap tips and the propensity for the protease to adopt a semi‐open flap conformation. Structure‐based analysis and fragment‐based screening of the cryptic cantilever pocket suggested that the pocket may be capable of accommodating ligand structures. Furthermore, molecular dynamics simulations of a top scoring fragment bound to the cryptic pocket illustrated altered flap dynamics of the fragment‐bound enzyme. Together, these results suggest that the mobility of the cantilever region plays a key role in the global dynamics of retroviral proteases. Therefore, the cryptic cantilever pocket of the HIV‐1 protease may represent an interesting target for future in vitro studies.
Near‐surface wind profiles from numerical model predictions. Part II: Verifications against Australia‐wide surface wind observations
Authors: Ma Yimin , Roff Greg L. , Rennie Susan J. , Steinle Peter J. , Ye Hua , Woods Milton J.
Published: August 2024

The new scheme for deriving the near‐surface wind profiles discussed in Ma (in review) is applied to an Australian Bureau of Meteorology operational convective scale model over various domains. Both the new and conventional schemes' diagnostic 10‐m winds are then verified against Australia‐wide automatic weather station observations. Analyses of bulk statistics reveal that the new scheme's 10‐m wind forecasts have generally better accuracy than the current conventional scheme with a consistent reduction of biases over all domains. A widely recognised diurnal bias pattern of surface wind speed over the land is substantially reduced, and the inclusion of Ekman spiral effect on the 10‐m wind marginally improves statistics of the wind direction during the nighttime. The new scheme introduces no systemic bias, given the histogram of a bulk mean bias is analogiased to a Gaussian distribution, and moves the distribution of diagnostic wind speed closer to that observed.
Influences on North‐Atlantic summer climate from the El Niño‐Southern Oscillation
Authors: Knight Jeff R. , Scaife Adam A.
Published: August 2024

Seasonal‐range predictability of summer climate in northwestern Europe is generally considered to be low. This is an increasing issue given the worsening impact of summer heatwaves, droughts and intense convective rainfall in a rapidly changing climate. In wintertime, predictive skill in the region is derived from a variety of sources, not least teleconnections with the El Niño‐Southern Oscillation (ENSO). Summer ENSO teleconnections, however, are often considered to be negligible. In this paper, we revisit the topic of summer teleconnections between ENSO and the North Atlantic‐European region. We build on previous work identifying upper tropospheric responses to tropical forcing, since dynamical teleconnections are most apparent at this level. Our results confirm that significantly increased geopotential heights are found stretching over the North‐Atlantic region and into western Europe when La Niña conditions are prevalent during summer. This pattern is part of the previously identified ‘circumglobal’ pattern of wider northern‐hemisphere height changes. We then look for these responses in a range of climate models used in operational seasonal prediction. While parts of the circumglobal pattern are weakly present, none of them produce the response seen over the North Atlantic, even when the effect of sampling on the observed teleconnection is accounted for. We additionally estimate the contribution of the previous (wintertime) phase of ENSO on the following summer. We find a significant delayed response, particularly in heights, to the earlier phase. The combination of the delayed and current responses gives height anomalies that are larger, on average, when ENSO changes phase from winter to summer. Finally, we show that a modest level of regional prediction skill from ENSO does exist. There is a contribution to skill in heights from the previous ENSO phase, but the equivalent contribution to the skill of zonal winds is smaller.
An omnidirectional screw‐driven forestry robot
Authors: Yao Shun , Cheng Xi , Liu Zhuoni , Kan Jiangming
Published: August 2024

Screw‐driven robot possesses outstanding omnidirectional mobility. Due to the friction between wheels and the ground, the screw‐driven robot can traverse rough terrain flexibly. This paper proposes a screw‐driven robot, which is equipped with four screws wheels. The directions of thread between adjacent screws are opposite to each other. By controlling the rotating speed and direction of the wheels, the omnidirectional traction could be generated, so the robot possesses the omnidirectional mobility in the field. The robot can work in two locomotion modes, the screw‐driven mode and the wheel‐driven mode. In addition, the robot can be used for the forestry information‐collecting tasks, which improve the efficiency of the forestry task. Two prototypes are fabricated. A series of experiments and field tests are conducted, and the results verify that the robot can traverse rough terrain with the omnidirectional mobility.
Exact test and exact confidence interval for the Cox model
Authors: Shao Yongwu , Ye Zhishen , Zhang Zhiwei
Published: August 2024

The Cox proportional hazards model is commonly used to analyze time‐to‐event data in clinical trials. Standard inference procedures for the Cox model are based on asymptotic approximations and may perform poorly when there are few events in one or both treatment groups, as may be the case when the event of interest is rare or when the experimental treatment is highly efficacious. In this article, we propose an exact test of equivalence and efficacy under a proportional hazard model with treatment effect as the only fixed effect, together with an exact confidence interval that is obtained by inverting the exact test. The proposed test is based on a conditional error method originally proposed for sample size reestimation problems. In the present context, the conditional error method is used to combine information from a sequence of hypergeometric distributions, one at each observed event time. The proposed procedures are evaluated in simulation studies and illustrated using real data from an HIV prevention trial. A companion R package “ExactCox” is available for download on CRAN.
Dynamic path analysis for exploring treatment effect mediation processes in clinical trials with time‐to‐event endpoints
Authors: Kormaksson Matthias , Lange Markus Reiner , Demanse David , Strohmaier Susanne , Duan Jiawei , Xie Qing , Carbini Mariana , Bossen Claudia , Guettner Achim , Maniero Antonella
Published: August 2024

Why does a beneficial treatment effect on a longitudinal biomarker not translate into overall treatment benefit on survival, when the biomarker is in fact a prognostic factor of survival? In a recent exploratory data analysis in oncology, we were faced with this seemingly paradoxical result. To address this problem, we applied a theoretically principled methodology called dynamic path analysis, which allows us to perform mediation analysis with a longitudinal mediator and survival outcome. The aim of the analysis is to decompose the total treatment effect into a direct treatment effect and an indirect treatment effect mediated through a carefully constructed mediation path. The dynamic nature of the underlying methodology enables us to describe how these effects evolve over time, which can add to the mechanistic understanding of the underlying processes. In this paper, we present a detailed description of the dynamic path analysis framework and illustrate its application to survival mediation analysis using simulated and real data. The use case analysis provides clarity on the specific exploratory question of interest while the methodology generalizes to a wide range of applications in drug development where time‐to‐event is the primary clinical outcome of interest.
Sunscreens: A Narrative Review
Authors: Salih Hamisha , Psomadakis Cristina , George Susannah M. C.
Published: August 2024

Sunscreens are topical formulations incorporating filters that protect our skin against ultraviolet radiation (UVR) emitted by the sun. Sunscreen use has been increasingly encouraged to protect against sunburn, skin cancer and photoaging that can occur because of prolonged and cumulative sun exposure. However, sunscreens and their constituent UVR filters have been purported to be problematic themselves. In this narrative review, we will describe the history of sunscreens, types of UVR filters and how sunscreens are classified and rated. We will also explore some of the controversies regarding sunscreens, including concerns about their safety and environmental impact. Awareness of these potential consequences is paramount to the process of informed decision-making.
Low‐valent Tungsten Catalyzed Carbonylative Sonogashira Coupling Reactions of Aryl Iodides with Alkynes
Authors: Li Chunsheng , Chen Yaoyang , Huang Xin , Chen Junhua , Ye Feihua , Chen Lianfen
Published: August 2024

A low‐valent tungsten catalyzed carbonylative Sonogashira coupling reactions has been established. The present protocol utilizes inexpensive and readily available W(CO)6 as precatalyst and proceeds in the presence of atmospheric CO, providing a practical method to a series of functionalized alkynones and indoxyls compounds under mild reaction conditions. Moreover, the simple reaction system, good functional group tolerance and broad substrate scope enable the application of this transformation in the synthesis of functionalized carbonyl‐containing molecules.
Hetero and Homo Metal Exchange of Au25(SR)18− and Ag25(SR)18− Clusters with Metal–Thiolate Complexes: Ab Initio Molecular Dynamics Simulation Studies
Authors: Liu Hengzhi , Huang Baoyu , Shao Youyuan , Pei Yong
Published: August 2024

The hetero and homo metal exchange of Au25(SR)18− and Ag25(SR)18− nanoclusters with metal–thiolate (M–SR) complexes (AuI(SR), AgI(SR), CuI(SR), and CuII(SR)2) are studied using ab initio molecular dynamics (AIMD) simulations. The AIMD simulation results unveil that the M–SR complexes directly displace Au(SR) or Ag(SR) units on the gold or silver core surface through an “anchoring effect”. The whole process of metal‐exchange reactions can be divided into three steps, including the adsorption of M–SR complexes on clusters, the formation of new staple motif, and the displacement of Au(SR) or Ag(SR) units by M–SR complexes. The key role of sulfur atoms in metal exchange reactions in M–SR complexes is revealed, which facilitates formation of new staple motifs and doping of M–SR complexes into gold and silver cores. This work provides a theoretical basis for further exploring the metal exchange reaction between noble metal nanoclusters and metal–thiolate complexes, as well as the isotope exchange reactions.
Metal–Organic Framework with Dual Excitation Pathways as Efficient Bifunctional Catalyst for Photo‐assisted Li–O2 Batteries
Authors: Tao Yinglei , Fan Xiaoli , Yu Xingyu , Gong Ke , Xia Yujiao , Gong Hao , Chen Haixia , Huang Xianli , Zhang Aidi , Wang Tao , He Jianping
Published: August 2024

Li–O2 batteries (LOBs) have sparked significant interest due to their fascinating high theoretical energy density. However, the large overpotential for the formation and oxidation of Li2O2 during charge and discharge process seriously hinders the further development and application of LOBs. In this work, metal–organic frameworks (MOFs) with different metal clusters (Fe, Ti, Zr) are successfully synthesized, and they are employed as the photoelectrodes for the photo‐assisted LOBs. The special dual excitation pathways of Fe‐MOF under illumination and the superior separation efficiency of photocarriers, which significantly enhance the activation of O2/Li2O2, improving the catalytic activity of oxygen reduction reaction and oxygen evolution reaction. Moreover, compared to traditional inorganic semiconductor crystals, Fe‐MOF exhibits large specific surface area and excellent O2 adsorption ability. Therefore, the LOB with Fe‐MOF as the cathode exhibits large specific capacity, ultralow charge/discharge overpotential of 0.22 V at 0.05 mA cm−2 and excellent stability of 195 cycles under illumination. This study provides an environmentally friendly and highly efficient photocatalyst for LOBs, and a new strategy for designing photoelectrodes.
A Low‐Temperature Na‐MoS2 Rechargeable Battery
Authors: Du Guangyuan , Gao Aosong , Qian Guoyu , Lu Xueyi , Xie Fangyan , Lu Xia
Published: August 2024

It is generally accepted that the low‐temperature environment typically augments electrolyte viscosity and impedes electrochemical kinetics, thereby diminishing battery performance. However, this prevailing notion, while valid in certain contexts, lacks universality, particularly regarding cycling stability. In this context, the Na‐MoS2 batteries serve as a model to elucidate the impacts of low temperatures. By significantly suppressing the pulverization and amorphization of MoS2, the low‐temperature milieu effectively mitigates the risk of micro‐short circuits induced by the mass shuttling to the Na metal anode, thereby averting performance degradation by self‐discharge. Upon cycling, the generated NaxMo3S4 intermediates only at low temperatures benefit the structural and electrochemical stabilizations to counteract the intrinsic performance degradation. The attenuation of kinetics at low temperatures facilitates the accumulation of Na2S, akin to a sustained‐release agent within the electrode, steadily furnishing the capacity in long cycling. Moreover, the suppression of polysulfide dissolution and shuttling emerges as a pivotal factor contributing to the cycling stability at low‐temperature. These findings provide a rewarding avenue toward understanding of the influence of low temperature on battery performance, as well as the design of practical electrodes and batteries for low‐temperature applications.
Recyclable Biomimetic Sunflower Pollen‐based Photocatalyst for Enhanced Degradation of Pharmaceuticals
Authors: Ortiz Miquel , Gómez Elvira , Serrà Albert
Published: August 2024

Recent trends in addressing the impending water crisis focus on the development of innovative water treatment methods. This work utilizes pollen as a core template to synthesize highly efficient onion‐like photocatalysts for pollutant mineralization. The study showcases a novel electrochemical synthesis method that maintains the structural integrity of pollen, resulting in increased surface area and enhanced photocatalytic activity. After 90‐min of visible light irradiation, over 99% mineralization is achieved. These hybrid photocatalysts demonstrate exceptional stability and efficacy in degrading pollutants. The used photocatalysts can be recycled into biopellets with an ash content of less than 7% (weight), moisture content of less than 8% (weight), and a calorific value of ≈22.1 ± 0.3 MJ kg−1. Additionally, the resulting ashes serve as effective peroxymonosulphate activators for pollutant mineralization. This process offers sustainable waste management while minimizing waste production, providing a practical solution for water purification. The efficacy of this approach in pollutant removal is underscored by mineralization rates exceeding 99%.
Identification and prioritization of the challenges faced by vendor organizations in the shape of cyber security: A FUZZY‐AHP ‐based systematic approach
Authors: Khan Abdul Wahid , Zaib Shah , Alanazi Meshari D. , Habib Shabana
Published: August 2024

The goal of this research study was to identify and prioritize the significant cybersecurity challenges that vendor firms encounter during software development. Using Systematic Literature Reviews (SLRs), 13 significant challenges were found, including “Security issues/Access of Cyberattacks”, “Lack of Right Knowledge”, “Cost Security Issues”, and “Lack of Confidentiality and Trust” among others. To address these concerns, a multifaceted strategy that prioritizes continuing education, training, and investment in cybersecurity measures, as well as cross‐industry cooperation and coordination with government entities, is required. These challenges were ranked using the Fuzzy Analytic Hierarchy Process (F‐AHP). We obtained the following results after applying the Fuzzy Analytic Hierarchy Process: CSC1 (Cyber Security Challenge‐1) “Security Issues/Access of Cyber Attacks”, CSC2 “Lack of Right Knowledge”, and CSC3 “Framework” are the top most critical cyber security challenges, with weightages of 0.1687, 0.1672, and 0.1194, respectively. This study lays the groundwork for future research and assists vendor organizations in addressing the cybersecurity concerns they face during software development. The study also emphasizes the significance of addressing cybersecurity during the software development process in order to avoid the financial and reputational losses associated with cyber intrusions.
Importance of Morphology of Layered Double Hydroxide in Electrochemical Energy Storage and Catalysis
Authors: Peng Song , Pan Qianfeng , Qiao Yixuan , Wang Tiantian , Htut Nyan Lynn , Chen Bo , Anderson Marc A. , Wang Yang , Qiu Jieshan
Published: August 2024

The development of nanomaterials for energy storage and conversion has always been important. Layered double hydroxide (LDH) is a promising material due to its high capacity, tunable composition and easy synthesis. In this work, the morphology of NiCo‐LDH is tuned with surfactants including sodium dodecyl sulfate (SDS) and cetyltrimethylammonium bromide (CTAB), and investigated the correlation between morphology and electrochemical properties. NiCo‐LDH‐SDS with a layered structure exhibited a specific capacitance of 1004 C g−1 at 1 A g−1, which is higher than that of the needle‐like NiCo‐LDH‐CTAB (678 C g−1) and the rod‐like NiCo‐LDH (279 C g−1). Meanwhile, NiCo‐LDH‐SDS and NiCo‐LDH‐CTAB showed a reduction of 36 and 19 mV, respectively, in their overpotentials at 10 mA cm−2 compared to NiCo‐LDH. Contact angle and adhesive force measurements proved the influence of morphology on the interfacial properties that layered structure is favorable for the timely detachment of the bubbles. Therefore, rational morphology regulation of LDH can effectively alter the gas–liquid–solid interface and thereby accelerate the reaction kinetics. The connections between morphologies, bubbles releasing and electrochemical performance are well established in this work, which can be applied in the investigation of nanomaterials for energy‐related activities, especially the ones concerning bubbles releasing processes.