bluuebunny/crossref_metadata_2025 huggingface dataset:
Peanut cultivar response to residual soil test potassium in North Mississippi
Authors: Zurweller Brendan , Song Yangyang , Dygert Andrew , Varco Jac , Whittenton Bryan , May Justin , Burgess Brad
Published: September 2024

The average U.S. peanut (Arachis hypogaea L.) yield has increased by approximately 25% with the adoption of peanut cultivar ‘Georgia‐06G’. Since this adoption, many new high yielding runner cultivars with similar yield potential have been released. However, current nutrient recommendations are based on soil tests that were developed prior to the release of Georgia‐06G. Particularly for potassium, current soil test potassium (STK) critical values were established on soil textures with relatively low cation exchange capacity (CEC) but were not validated on soil textures with high CEC. This study aimed to evaluate the growth and yield response of five recently released peanut cultivars to four STK levels ranging from very low to medium based on Mississippi State University Extension soil testing recommendations. The STK classification levels were also based on two soil series categorized with high CEC—Leeper (∼38.4 meq 100 g−1) and Marietta (∼15.9 meq 100 g−1) soil series. Cultivars Georgia‐06G, ‘Georgia‐16HO’, ‘Georgia‐18RU’, FloRun ‘331’, and ‘AU‐NPL‐17’ were evaluated in this study. No STK × variety interaction occurred, indicating similar K requirements across all varieties evaluated. However, a positive pod yield response occurred in both soil types when the average STK increased from 128 to 167 lbs ac−1 for all cultivars and site years. Critical STK values on both soils were greater than many current Extension recommendations, and the critical STK value of Leeper is greater than the Marietta soil series, likely due to the higher CEC value. These results demonstrate the need to adjust peanut STK sufficiency levels based on soil CEC. Further evaluation of modern peanut cultivar productivity response to STK sufficiency levels is needed for soils with moderate CEC.
Dimensionally Extending from 1D MX–Chain to Ladder and Nanotube Systems: Structural and Electronic Properties
Authors: Liang Hao , Otsubo Kazuya , Kitagawa Hiroshi
Published: September 2024

Molecular one‐dimensional (1D) electron systems have attracted much attention due to their unique electronic state, physical and chemical properties derived from high‐aspect‐ratio structures. Among 1D materials, mixed‐valence halogen‐bridged transition‐metal chain complexes (MX‐chains) based on coordination assemblies are currently of particular interest because their electronic properties, such as mixed‐valence state and band gap, can be controlled by substituting components and varying configurations. In particular, chemistry has recently noted that dimensionally extending MX‐chains through organic rung ligands can introduce and modulate electronic coupling of metal atoms between chains, i. e., interchain interactions. In this review, for the first time, we highlight the recent progress on MX systems from the viewpoint of dimensionally extending from 1D chain to ladder and nanotube, mainly involving structural design and electronic properties. Overall, dimensional extension can not only tune the electronic properties of MX‐chain, but also build the unique platform for studying transport dynamics in confined space, such as proton conduction. Based on these features, we envision that the MX‐chain systems provide valuable insights into deep understanding of 1D electron systems, as well as the potential applications such as nanoelectronics.
Noncovalent Interactions in Palladium(II)‐Catalyzed Meta‐Selective C−H Functionalization: Mechanistic Insights and Origins of Regioselectivity
Authors: Oliveira Daniel A. S. , Braga Ataualpa A. C.
Published: September 2024

The use of noncovalent interactions to control the regioselectivity of transition metal‐catalyzed C−H functionalization of arenes has received significant attention in recent years. Herein, we present a mechanistic study based on Density Functional Theory (DFT) of palladium(II)‐catalyzed meta‐selective C−H olefination employing a noncovalent directing template. We analyze the key steps of the mechanism and discuss the origins of reaction selectivity. The role of the directing template was elucidated, demonstrating its essential function in lowering reaction barriers and controlling selectivity. Our results reveal a competition in activation between ortho‐ and meta‐C−H bonds. Contrary to the previous proposal in the literature, hydrogen bonds between the N−H bonds of the urea moiety and the carbonyl oxygen of the substrate predominantly favor ortho‐selectivity over meta‐selectivity. DFT results, alongside Quantum Theory of Atoms in Molecules (QTAIM) and Non‐Covalent Interaction Index analysis, suggest that secondary interactions between the R group linked to the urea moiety and the catalyst exert a more pronounced influence compared to the aforementioned hydrogen bonds, directing the selectivity towards the meta C‐H bond.
A Compact Implementation of Shadow on an IoT Processor
Authors: Chen Wen , Liu Wenfen , Guo Ying , Yu Bin , Liu Yusheng
Published: September 2024

Shadow is a lightweight AND‐RX block cipher adapted for resource‐constrained devices. In this paper, software and hardware optimizations are proposed respectively for Shadow to enhance its implementation performance. For software optimization, this paper first proposes a data pre‐processing scheme based on the structural characteristics of the round function. It further improves the optimization effect of the barrel shifter instruction while simplifying the implementation process of the round function. Note that the optimization strategy is also applicable to other AND‐RX ciphers. Secondly, this paper proposes a new NX operation implementation scheme that can effectively reduce its instruction cycles. In round‐based architecture, experimental results show that our scheme effectively reduces code size by 24.7%, Flash consumption by 12.6%, and total instruction cycles by 25.1%. Meanwhile, in the fully unrolled architecture, our scheme reduces code size by 30.8%, Flash consumption by 29.8%, and total instruction cycles by 28.1%. For hardware optimization, this paper proposes a low‐resource implementation scheme by constructing a generic formula for NX operation. In ASIC implementation, our scheme reduces hardware resources by 72.3%. In FPGA implementation, the number of LUTs and Slices is reduced by 30% and 28.6%, respectively. Overall, the proposed optimization scheme for Shadow has better performance in hardware and software implementation.
Electrochemical Investigation of Plasma Channels During Hydraulic‐Electric Pulsed Discharges
Authors: Liu Weiji , Zhou Xin , Zhang Zhimin , Zhu Xiaohua
Published: September 2024

The hydraulic‐electric pulsed discharge(HEPD) rock‐breaking technology is a new high‐efficiency technology that generates plasma shock waves to rupture rocks. Since the plasma channel formation mechanism involved in HEPD rock‐breaking technology is difficult to describe, there are fewer theoretical models of this technology. This paper establishes a HEPD plasma model, which integrally considers the mutual coupling between five physical fields. The multi‐physical field model realizes the whole process of plasma channels, breakdown channels, plasma shock waves, and plasma shock wave rock‐breaking during the HEPD. The changes in mass fraction, density, and diffusion flux of relevant elements in the electrochemical reaction equation of the plasma channel are comprehensively analyzed. The obtained plasma multiphysics field model shows that the interpenetration of charged ions forms the breakdown channel and plasma channel. The anion number density is related to the H‐ number density, and the decrease in H‐ number density is due to the fact that the energy in the plasma channel is not sufficient to satisfy the relevant chemical equations to continue the collision reaction. The damage to the rock by the plasma shock wave takes the form of a gradual spreading of the plasma shock wave from the center of the rock to the edges, which leads to rock fragmentation. The model has the potential to establish a link between HEPD rock‐breaking parameters and the efficiency of HEPD rock‐breaking, which could provide a practical way for the development and parameter optimization of hydraulic‐electric pulsed discharge rock‐breaking tools.
Assessing Alzheimer's disease via plasma extracellular vesicle–derived mRNA
Authors: Pham Le Hoang Phu , Chang Ching‐Fang , Tuchez Katherine , Liu Fei , Chen Yuchao
Published: September 2024

INTRODUCTION

Alzheimer's disease (AD), the most prevalent neurodegenerative disorder globally, has emerged as a significant health concern. Recently it has been revealed that extracellular vesicles (EVs) play a critical role in AD pathogenesis and progression. Their stability and presence in various biofluids, such as blood, offer a minimally invasive window for monitoring AD‐related changes.

METHODS

We analyzed plasma EV‐derived messenger RNA (mRNA) from 82 human subjects, including individuals with AD, mild cognitive impairment (MCI), and healthy controls. With next‐generation sequencing, we profiled differentially expressed genes (DEGs), identifying those associated with AD.

RESULTS

Based on DEGs identified in both the MCI and AD groups, a diagnostic model was established based on machine learning, demonstrating an average diagnostic accuracy of over 98% and showed a strong correlation with different AD stages.

DISCUSSION

mRNA derived from plasma EVs shows significant promise as a non‐invasive biomarker for the early detection and continuous monitoring of AD.

Highlights

The study conducted next‐generation sequencing (NGS) of mRNA derived from human plasma extracellular vesicles (EVs) to assess Alzheimer's disease (AD).

Profiling of plasma EV‐derived mRNA shows a significantly enriched AD pathway, indicating its potential for AD‐related studies.

The AD‐prediction model achieved a receiver‐operating characteristic area under the curve (ROC‐AUC) of more than 0.98, with strong correlation to the established Clinical Dementia Rating (CDR).
Metal‐ and Additive‐Free One‐Pot Synthesis of 2,3,5‐Trisubstituted 1,3,4‐Thiadiazines Using β‐Ketodithioesters and 2‐Bromohydrazones through a Cross‐Coupling/Cyclization Cascade
Authors: Singh Malkeet , Singh Saurabh , Shukla Gaurav , Shankar Singh Maya
Published: September 2024

Privileged 2,3,5‐trisubstituted 1,3,4‐thiadiazines were synthesized from readily accessible β‐ketodithioesters as a two‐atom (CS) synthon and 2‐bromohydrazones as a four‐atom (CCNN) unit through a cross‐coupling/cyclization cascade. The operationally simple metal‐ and additive‐free method shows broad substrate scope as well as high functional‐group tolerance and provides a direct route to functionalized 1,3,4‐thiadiazines that are not easily prepared by other methods. This one‐pot approach features easy‐to‐handle nontoxic reagents, high yields, gram scalability, excellent selectivity and the formation of an exocyclic double bond with Z‐stereoselectivity.
Direct Introduction of Perfluoroacyl (−CORF) Groups into Organic Substrates
Authors: Barata‐Vallejo Sebastian , Yerien Damian E. , Zottola Agustin A. , Postigo Al
Published: September 2024

The direct addition of perfluoroacyl (−CORF) groups to organic frameworks has seen a resurgence in interest due to the benefits of these groups in late‐stage modification of pro‐drugs and biologically active compounds, helping to identify new active leads. The presence of −CORF groups positively impacts the structure‐activity relationships of these compounds. In that sense, both polar methods and radical protocols have been developed for the direct syntheses of trifluoromethyl and perfluoroalkyl ketones. In particular, methodologies to tame the unstable trifluoroacyl radical, which could be a key intermediate in the late‐stage syntheses of trifluoroacyl‐substituted compounds, has allowed much progress in this area. In the next sections, the direct incorporation of perfluoroacyl groups into (hetero)aromatic compounds, −CORF substitutions at Csp3−H, alkyl halides, alkenes, amides, and N‐atoms will be discussed in detail, suggesting the future directions and perspectives in the field. These known reactions are summarized in Table 1.
Backyard running: Pushing the boundaries of human performance
Authors: De Pauw Kevin , Ampe T. , Arauz Y. L. Arenales , Galloo X. , Buyse L. , Olieslagers M. , Demuyser T. , Corlùy H. , Lamarti S. , Provyn S. , Jones A. M. , Meeusen R. , Roelands B.
Published: September 2024

Ultrarunning is gaining in popularity but no information is available on the physiological and psychological responses during backyard ultrarunning events. The aim of this study was to determine changes in cognitive function, markers of physiological resilience, and running performance during a backyard‐running event. Twelve male ultrarunners (38 ± 8 years old, BMI: 23.5 ± 1.6 kg/m2, and VO2max: 60.8 ± 4.7 mL/min/kg) were monitored before, during, and after the event. Cognitive performance was determined using a cognitive test battery before, during, and after the event. During the event, the rating of perceived exertion (RPE), blood lactate concentration, and heart rate (HR) were assessed. Physical performance was investigated using the total number of completed laps and running speed per lap. Athletes completed 34 ± 17 laps equaling 227.8 ± 113.9 km with average speeds starting at 9.0 km/h and slowing down to 7.5 km/h at the end of the event. Physiological resilience (estimated using HR/speed) varied between athletes, with significantly lower values in the more proficient backyard runners at the end of the event (p < 0.05). HR and lactate levels remained constant, whereas a progressive increase in RPE was noticed (p ≤ 0.001). A significantly worsened reaction time was observed for several cognitive tasks after the event compared to baseline measures (p ≤ 0.05). These observations show that physiological resilience differs depending on the level of endurance performance of the athletes. Furthermore, the backyard ultrarunning event negatively impacted psychomotor speed. Therefore, the results suggest that implementing strategies that enhance physiological resilience and/or psychomotor speed could potentially have a positive effect on performance in ultraendurance activities.
Hydroxysafflor yellow A, a natural food pigment, ameliorates atherosclerosis in ApoE−/− mice by inhibiting the SphK1/S1P/S1PR3 pathway
Authors: Liu Yuqing , Piao Jingyu , He Jiqian , Su Zhuoxuan , Luo Zhizhong , Luo Duosheng
Published: September 2024

Atherosclerosis (AS) is the pathologic basis of many cardiovascular diseases (CVDs). Hydroxysafflor yellow A (HSYA) is a valuable natural food pigment that has been reported to have significant health‐promoting abilities. However, the anti‐AS efficacy and mechanisms of HSYA have not yet been characterized. Here, we found that treatment of apolipoprotein A (ApoE) knockout (ApoE−/−) mice with HSYA markedly ameliorated atherosclerosis evidenced by decreased levels of lipids, sphingosine‐1‐phosphate (S1P), inflammatory factors, oxidative stress, vascular endothelial permeability, and endothelial damage. Moreover, mechanistic studies revealed that HSYA treatment downregulated the expression of aortic sphingosine kinase 1 (SphK1), sphingosine‐1‐phosphate receptor 3 (S1PR3), Ras homolog family member A (RhoA), Rho‐associated coiled‐coil containing protein kinase (ROCK), and filamentous actin (F‐actin). The results of administration with HSYA reversed the effects of SphK1 agonist and S1PR3 agonist on oxidized low‐density lipoprotein (ox‐LDL)‐induced vascular endothelial cell migration ability and F‐actin expression, and decreased RhoA/ROCK protein expression further confirmed the conclusion that HSYA reduced vascular endothelial permeability by modulating the SphK1/S1P/S1PR3/RhoA/ROCK signaling pathway, thereby exerting anti‐atherosclerotic effects. Overall, this study indicated that HSYA might be a therapeutic candidate for the treatment of AS.
Association Between Tongue Pressure and Prevalence of Mild Cognitive Impairment in Japan
Authors: Tanaka Keiko , Utsunomiya Hisanori , Kato Hiromasa , Ogawa Susumu , Suzuki Hiroyuki , Fujiwara Yoshinori , Nobuhara Takashi , Senba Hidenori , Kimura Eizen , Matsuura Bunzo , Kawamoto Ryuichi , Miyake Yoshihiro
Published: September 2024

Objective

Although it has been suggested that a decline in oral function is one of the potential risk factors affecting mild cognitive impairment (MCI), evidence is insufficient to draw clear conclusions. This Japanese cross‐sectional study examined the association between tongue pressure (TP) and MCI in middle‐aged and older adults aged 36–84 years.

Methods

Study participants were 1019 (368 men and 651 women). TP was evaluated using a TP measurement device. The maximum value of three measurements was used for analysis. MCI was defined as being present if a participant had a Japanese version of the Montreal Cognitive Assessment score of <26. Adjustment was made for age, smoking status, alcohol consumption, leisure‐time physical activity, body mass index, hypertension, dyslipidemia, diabetes mellitus, history of depression, number of teeth, employment, education, and household income.

Results

The prevalence of MCI was 45.3%. Among women, compared with the lowest tertile of TP, the second and highest tertiles were significantly associated with a lower prevalence of MCI with a clear dose–response relationship; the adjusted odds ratio (95% confidence intervals) in the second and highest tertiles of TP were 0.54 (0.36–0.83) and 0.55 (0.36–0.84), respectively (p for trend = 0.005). In contrast, no statistically significant association was observed between TP and the prevalence of MCI among men.

Conclusions

Our findings suggest that higher TP might be inversely associated with the prevalence of MCI in middle‐aged and older Japanese women.
Treatment‐free remission as a new goal in the management of chronic myeloid leukemia: Clinical and biological aspects
Authors: Cattaneo Daniele , Bucelli Cristina , Bellani Valentina , Mora Barbara , Iurlo Alessandra
Published: September 2024

The therapeutic armamentarium of chronic myeloid leukemia (CML) has dramatically improved after small molecule tyrosine kinase inhibitors (TKIs) targeting BCR::ABL1 became available, with a life expectancy now close to that of the general population. Although highly effective, these drugs also have a toxicity profile that is often mild to moderate, but sometimes severe. Indeed, long‐term treatment with TKIs can lead to chronic adverse events that can negatively affect patients' quality of life and can promote significant morbidity and mortality, particularly in the case of second‐ or third‐generation TKIs. Treatment discontinuation has therefore become an emerging goal for CML patients and numerous studies have evaluated in off‐TKI subjects what requirements are appropriate for an attempt at treatment‐free remission (TFR). TFR eligibility is currently limited to a small population of subjects with both deep and sustained molecular responses to TKIs. For those attempting TFR, average success rates are promising, with 25%–30% of patients experiencing prolonged TFR. In case of failure to maintain sustained TFR, safety results to date are reassuring, with almost all patients responding successfully to resumption of TKIs, and advanced‐phase disease progression representing a very rare event. The purpose of this review is to discuss guidelines for TKI discontinuation, clinical advances from clinical trials and real‐life experiences, and describe areas of research, particularly regarding the biological factors capable of predicting the success of TFR.
Validating a practical methodology for thatch—mat—soil distinction in turfgrass soils
Authors: Evers Maurice , de Caluwe Hannie , de Kroon Hans , Visser Eric J. W.
Published: September 2024

Discerning thatch and mat in turfgrass soils is important in organic matter research and choosing the correct turfgrass maintenance actions to keep turfgrass healthy and optimize playability. However, determining boundaries of thatch and mat in practice is often experienced as difficult because of inherent ambiguity in terminology and diagnostic techniques. We described a practical method for the distinction of thatch, mat, and soil layers, being a combination of visually and manually observable characteristics. For two widely different turfgrass species, we analyzed total organic matter (TOM) and dry bulk density (ρd) in thin slices of 6 mm (between 0‐ and 10‐cm soil depth), resulting in clear patterns for both soil properties with increasing depth. Statistical analysis of TOM patterns resulted in similar boundary depths between calculated and observed layers, validating our practical method for the distinction of thatch, mat, and soil layers as a reliable method.
Investigation through naphtho[2,3‐a]pyrene on mutated EGFR mediated autophagy in NSCLC: Cellular model system unleashing therapeutic potential
Authors: Samarth Nikhil , Gulhane Pooja , Singh Shailza
Published: September 2024

Mutant epidermal growth factor receptor (EGFR) signaling has emerged as a key cause of carcinogenesis and therapy resistance in non‐small cell lung cancer (NSCLC), which continues to pose a serious threat to world health. In this study, we aimed to elucidate the complex molecular pathways of EGFR‐mediated autophagy signaling in NSCLC. We identified naphtho[2,3‐a]pyrene, an anthraquinolone derivative, to be a promising investigational drug that targets EGFR‐mediated autophagy using a cellular model system. By utilizing systems biology, we developed a computational model that explained the signaling of EGFR‐mediated autophagy and identified critical crosstalk sites that could be inhibited therapeutically. As a lead compound, naphtho[2,3‐a]pyrene was confirmed by molecular docking experiments. It was found to be cytotoxic to NSCLC cells, impact migration, induce apoptosis, and arrest cell cycle, both on its own and when combined with standard drugs. The anticancer efficacy of naphtho[2,3‐a]pyrene was validated in vivo on CDX nude mice. It showed synergistic activity against NSCLC when coupled with gefitinib, chloroquine, and radiation. Altogether, our study highlights naphtho[2,3‐a]pyrene's therapeutic promise in NSCLC by focusing on EGFR‐mediated autophagy and providing a new strategy to fight drug resistance and tumor survival.
Covalent interaction of ovalbumin with proanthocyanidins improves its thermal stability and antioxidant and emulsifying activity
Authors: Xing Zenghong , Fei Xiaoyun , Chen Shuling , Gong Deming , Hu Xing , Zhang Guowen
Published: September 2024

Background

The structure of proanthocyanidins (PC) contains a large number of active phenolic hydroxyl groups, which makes it have strong antioxidant capacity. This study investigated the structural and functional properties of ovalbumin (OVA) modified by its interaction with PC.

Results

It was found that on increasing the concentration ratio of PC to OVA from 10:1 to 40:1, the free amino and total sulfhydryl contents of OVA decreased from 470.59 ± 38.77 and 29.81 ± 0.31 nmol mg−1 to 96.61 ± 4.55 and 21.22 ± 0.78 nmol mg−1, respectively, and the free sulfhydryl content increased from 7.65 ± 0.41 to 9.48 ± 0.58 nmol mg−1. These results indicated that CN and CS bonds were formed and PC was covalently linked with OVA. The PC content in the OVA–PC conjugates increased from 281.93 ± 12.92 to 828.81 ± 46.09 nmol mg−1 on increasing the concentration ratio of PC to OVA from 10:1 to 40:1. The contents of α‐helix and β‐turn of OVA decreased, and the contents of β‐sheet and random coil increased, confirmed by circular dichroism. The tertiary structure of OVA was also altered according to the results of fluorescence and ultraviolet absorption spectra. The surface hydrophobicity of OVA–PC conjugates decreased with increasing bound polyphenol content. The conjugation of OVA to PC significantly improved its emulsification and antioxidant activity and denaturation temperature.

Conclusion

This study may provide valuable information for improving OVA's functional properties and its PC conjugates for applications in the food industry. © 2024 Society of Chemical Industry.
Patient perspectives on international multidisciplinary consensus criteria for chronic rhinosinusitis disease control
Authors: Cotter Ryan A. , Houssein Firas A. , Reinert Rebecca K. , Phillips Katie M. , Sedaghat Ahmad R.
Published: September 2024

Objectives

Recently, a set of consensus criteria and near‐consensus criteria for the evaluation of chronic rhinosinusitis (CRS) disease control was identified by an international multidisciplinary panel of key stakeholders. The objective of this study is to evaluate patient perspectives on these disease control criteria.

Methods

This is a qualitative phenomenological study using constant comparative methodology. Twenty‐one one‐on‐one interviews, ranging from 6 to 15 min and based on a standardized semi‐structured script, with CRS patients from diverse backgrounds were performed. The authors analyzed transcripts of the interviews to identify recurrent themes in patient responses. Conclusions were drawn based on these themes.

Results

All participants agreed with the consensus criteria (overall symptom severity, nasal obstruction severity, patients' self‐assessed CRS control, and need for CRS‐related oral corticosteroids), and most participants agreed with near‐consensus criteria (nasal endoscopy, smell loss and nasal drainage severities, impairment of day‐to‐day activities, and overall quality of life) identified by the international multidisciplinary panel. Some patients disagreed with inclusion of smell loss due to common etiologies—such as post‐viral or iatrogenic causes—that would not necessarily be an indicator of active sinonasal inflammation. One theme that emerged was the need for a facial pain/pressure criterion to be added.

Conclusions

CRS patients overwhelmingly affirmed recently described consensus and near‐consensus criteria for CRS disease control with the caveat that a question asking about facial pain/pressure should be included as well. Recently, identified consensus criteria for CRS disease control should be interpreted within the context of patient perspectives.
Changing practice in cystic fibrosis: Implementing objective medication adherence data at every consultation, a learning health system and quality improvement collaborative
Authors: Girling Carla , Davids India , Totton Nikki , Arden Madelynne A. , Hind Daniel , Wildman Martin J.
Published: September 2024

Background

Medication adherence data are an important quality indicator in cystic fibrosis (CF) care, yet real‐time objective data are not routinely available. An online application (CFHealthHub) has been designed to deliver these data to people with CF and their clinical team. Adoption of this innovation is the focus of an National Health Service England‐funded learning health system and Quality Improvement Collaborative (QIC). This study applies the capability, opportunity, and motivation model of behavior change to assess whether the QIC had supported healthcare professionals' uptake of accessing patient adherence data.

Method

This was a mixed‐method study, treating each multidisciplinary team as an individual case. Click analytic data from CFHealthHub were collected between January 1, 2018, and September 22, 2019. Thirteen healthcare practitioners participated in semi‐structured interviews, before and after establishing the QIC. Qualitative data were analyzed using the behavior change model.

Results

The cases showed varied improvement trajectories. While two cases reported reduced barriers, one faced persistent challenges. Participation in the QIC led to enhanced confidence in the platform's utility. Reduced capability, opportunity, and motivation barriers correlated with increased uptake, demonstrating value in integrating behavior change theory into QICs.

Conclusion

QICs can successfully reduce barriers and enable uptake of e‐health innovations such as adherence monitoring technology. However, ongoing multi‐level strategies are needed to embed changes. Further research should explore sustainability mechanisms and their impact on patient outcomes.
The hidden crowding out effect: How does local government implicit debt pressure influence enterprise productivity in China?
Authors: Wang Lei , Wang Chuncao , Chen Jiayi , Chang Jingke
Published: September 2024

To explore whether and how local government implicit debts pressure (LGIDP) affects the firm performance, this paper bases on the 2012–2018 listed enterprise data and local government financing vehicles (LGFVs) data to empirically test the impact of LGIDP on the total factor productivity (TFP) of non‐local government financing vehicles (N‐LGFVs). The results show that LGIDP significantly reduced the TFP of N‐LGFVs by transferring fiscal resources, enhancing tax collection, and transferring credit resources. But this distorting effect of LGIDP on the TFP of N‐LGFVs only exists in non‐state‐owned enterprises, small‐scale enterprises, and young enterprises. Our paper has an important policy recommendation that regulating LGFVs and alleviating LGIDP are of great significance for China to achieve sustained economic growth.
Foreign direct investment, environmental regulation, and energy transition—An empirical study based on data from 38 OECD countries worldwide
Authors: Hou Hui , Wu Di , Wang Xiaoting , Kong Deyi
Published: September 2024

This study formulates a theoretical hypothesis regarding the intricate interplay among foreign direct investment (FDI), environmental regulation, and energy transition. To empirically validate this hypothesis, a comprehensive analysis is carried out on 38 member nations of the Organization for Economic Cooperation and Development (OECD) over the span of 2003 to 2020, utilizing a panel fixed effects model, a panel quantile model, and a panel threshold regression model. The findings of the research indicate that (1) FDI exhibits an inhibitory impact on energy transition and, according to the heterogeneity analysis, FDI significantly inhibits energy transition in developed nations. However, the inhibitory influence on energy transition in developing nations is not as pronounced. (2) A considerable amount of dampening influence is exerted by FDI on energy transition at various stages of the transition and is most apparent when the transition is in the growth phase. (3) A threshold effect is evident in FDI and environmental regulation in relation to energy transition owing to the mismatch between the two developments. Notably, the influence of FDI on energy transition significantly varies based on the stringency of environmental regulation. As formal environmental regulation surpasses a designated threshold, FDI shifted from facilitating to inhibiting the energy transition. The same conclusions were reached when informal environmental regulation was considered as the threshold variable. Drawing from the conclusions of this paper, the countries of the OECD can develop a theoretical framework to formulate foreign investment introduction policies and regulate environmental regulation efforts to promote the energy transition.
Final parity rule strengthens consumer protections, improves MH, SUD access
Authors: Canady Valerie A.
Published: September 2024

In the first update to the Mental Health Parity and Addiction Equity Act (MHPAEA) in nearly 10 years, the federal government on Sept. 9 enacted final federal rules to ensure that people with mental health and substance use disorders (SUDs) receive similar insurance coverage for their care as they would for physical health conditions.
Uniform exponential stability approximations of semi‐discretization schemes for two hybrid systems
Authors: Zhang Lu , Zheng Fu , Wang Sizhe , Han Zhongjie
Published: September 2024

The uniform exponential stabilities (UESs) of two hybrid control systems comprised of a wave equation and a second‐order ordinary differential equation are investigated in this study. Linear feedback law and local viscosity are considered, as are nonlinear feedback law and internal anti‐damping. The hybrid system is first reduced to a first‐order port‐Hamiltonian system with dynamical boundary conditions, and the resulting system is discretized using the average central‐difference scheme. Second, the UES of the discrete system is obtained without prior knowledge of the exponential stability of the continuous system. The frequency domain characterization of UES for a family of contractive semigroups and the discrete multiplier approach are used to validate the main conclusions. Finally, the Trotter–Kato theorem is used to perform a convergence study on the numerical approximation approach. Most notably, the exponential stability of the continuous system is derived by the convergence of energy and UES, which is a novel approach to studying the exponential stability of some complex systems. Numerical simulation is used to validate the effectiveness of the numerical approximating strategy.
Clinical Course and Prognostic Factors of Older Patients With Back Pain and Radiating Leg Pain in General Practice: BACE Cohort Study
Authors: Khorami A. Khoshal , Koes Bart W. , Heymans Martijn W. , van der Gaag Wendelien H. , Bindels Patrick J. E. , Chiarotto Alessandro
Published: September 2024

Objective

Patients with back pain (BP) and radiating leg pain have poorer clinical outcomes compared to patients with BP alone. We aimed to describe the 1‐year clinical course and to identify prognostic factors associated with non‐recovery in older BP patients with radiating leg pain.

Design

Patients in the BACE cohort aged >55 years with a new episode of BP and radiating leg pain were included (n = 377). Data on clinical outcomes were collected until 1‐year follow‐up. Uni‐ and multivariable regression analyses were performed to investigate the association between potential prognostic factors and three non‐recovery outcomes at the 1‐year follow‐up.

Results

More than half of the patients (65%) did not recover after 12 months. In multivariable analyses, poor self‐rated health (odds ratio [OR] 2.34, 95% CI: 1.20–4.56) and BP duration at baseline (OR 1.48, 1.12–1.96) were significantly associated with non‐recovery for BP as outcome; age (OR 1.04, 1.03–1.05), smoking (OR 1.14, 1.00–1.30), depressive symptomatology (OR 1.03, 1.02–1.04), kinesiophobia (OR 1.03, 1.02–1.04), poor self‐rated health (OR 2.09, 1.83–2.39), baseline disability (OR 1.16, 1.14–1.17), BP duration (OR 1.49, 1.41–1.57), leg pain (OR 1.52, 1.37–1.68), pain during rotation (OR 1.71, 1.53–1.90) and other musculoskeletal complaints (OR 1.34, 1.17–1.52) were associated with disability. No factors were associated with leg pain.

Conclusions

Several prognostic factors were associated with non‐recovery in older patients with BP and radiating leg pain. Primary care clinicians should be aware of these factors in managing these patients.
Fluorine‐free, self‐healing, and superhydrophobic coating for efficient oil/water separation and fog‐water collection
Authors: Hu Yuzhu , Zhou Meng , Zhang Xinya , Fu Heqing
Published: September 2024

Superhydrophobic coatings have been used to solve the problems of oil spills polluting water sources and water resource shortages. However, the short service life of superhydrophobic coatings limit their widely application. In this work, a novel fluorine‐free, self‐healing, and superhydrophobic coating composing of polydimethylsiloxane (PDMS), polydopamine (PDA) modified halloysite nanotubes (HNT), and beeswax (BW) are fabricated for oil/water separation as well as fog‐water collection. Herein, PDA stabilizes the dispersion of HNT in the coating, and meanwhile enhances the adhesion of modified nanoparticles on fabric surfaces. The as‐fabricated coatings occupied a water contact angle of 163.1°, demonstrating exceptional superhydrophobic characteristics. The superhydrophobic coating exhibited superior oil/water separation efficiency of over 99.5% and outstanding fog‐water collection rate of 990 ~ 1208 mg cm−2 h−1. Owing to the presence of BW, the coatings demonstrated remarkable self‐healing properties and can regain superhydrophobicity after 100 wear cycles with just a short heating treatment. Therefore, this facile strategy has great potential for large‐scale manufacturing of multifunctional superhydrophobic coatings.
Heterogeneous nucleation of calcium sulfate whisker in polyamide 6 and its efficient reinforcement on tribology performance
Authors: Sun Shaojie , Ye Jinqiao , Cai Ziqing
Published: September 2024

For traditional materials, a polymer composite with high performance and large‐scale production is still the goal pursued by researchers. In our work, polyamide 6/calcium sulfate whiskers (PA6/SCW) composites were fabricated via melt‐compouding method. The calcium sulfate whisker based on gypsum mineral was used as reinforcement. After grafting silane coupling agent on the whisker surface, the whiskers showed a significant reinforcing effect in polyamide. The mechanics and tribology performance of the samples had been significantly inhanced. Based on the nucleation mechanism of lattice matching, calcium sulfate whiskers have obvious heterogeneous nucleation effect in PA6 matrix, while the crystallization period was slightly prolonged. This was caused by the network structure formed by the whiskers in the matrix, which impeded the free movement of polymer chain segments. In combination with the orientation degree of the molecular chains measured by the interdigital electrode, the reinforcing effect of the oriented PA6 specimens was derived from the orientation arrangement of the whiskers and the efficient load transfer.

Highlights

Mechanical and tribological properties of composite were significantly improved.

The composite could achieved large‐scale production due to simple preparation.

The whiskers had obvious heterogeneous nucleation effect in matrix.

The reinforcing effect was derived from efficient load transfer from whiskers.
Dental composite materials based on Zn/Al‐layered double hydroxide and their physical mechanical properties
Authors: Edkheil Akram , Vuksanović Marija M. , Savić Andrija , Šaponjić Aleksandra , Petrović Miloš , Radojević Vesna , Heinemann Radmila Jančić
Published: September 2024

Dental materials' demands can be answered using composite materials, as composite properties are suitable for tailoring the material's behavior. Poly (methyl methacrylate) (PMMA) is usually a material of choice in dental applications, and its mechanical properties can be improved in terms of modulus, strength, and hardness. The chosen reinforcement in this publication was Zn/Al‐layered double hydroxide (LDH), as this material has functional property modification possibilities. The reinforcement was synthesized using the coprecipitation process on a laboratory scale. The dispersion of the reinforcement was done with ultrasonication, and the composites prepared contained 1, 3, and 5 wt% of reinforcement, and the so‐prepared composites were compared to the matrix. Improvements were observed in terms of the elastic modulus and tensile strength, and the best performance was observed in the composite with 3 wt% of particles. Hardness increased with the addition of particles and the higher the particle content, the better the hardness. Materials were tested using dynamic mechanical techniques, and it was proven that the addition of particles lowers the Tg of the composite compared to the pure matrix. The addition of particles diminished the affinity of the material for polar liquids such as water.

Highlights

Zn/Al‐layered double hydroxide is used to reinforce acrylic matrix.

Composite with improved strength, modulus, and microhardness.

Addition of a layered double hydroxide decreases hydrophobicity of composite.
Analysis of EGFR binding hotspots for design of new EGFR inhibitory biologics
Authors: Tydings Claiborne W. , Singh Bhuminder , Smith Adam W. , Ledwitch Kaitlyn V. , Brown Benjamin P. , Lovly Christine M. , Walker Allison S. , Meiler Jens
Published: September 2024

The epidermal growth factor (EGF) receptor (EGFR) is activated by the binding of one of seven EGF‐like ligands to its ectodomain. Ligand binding results in EGFR dimerization and stabilization of the active receptor conformation subsequently leading to activation of downstream signaling. Aberrant activation of EGFR contributes to cancer progression through EGFR overexpression/amplification, modulation of its positive and negative regulators, and/or activating mutations within EGFR. EGFR targeted therapeutic antibodies prevent dimerization and interaction with endogenous ligands by binding the ectodomain of EGFR. However, these antibodies have had limited success in the clinic, partially due to EGFR ectodomain resistance mutations, and are only applicable to a subset of patients with EGFR‐driven cancers. These limitations suggest that alternative EGFR targeted biologics need to be explored for EGFR‐driven cancer therapy. To this end, we analyze the EGFR interfaces of known inhibitory biologics with determined structures in the context of endogenous ligands, using the Rosetta macromolecular modeling software to highlight the most important interactions on a per‐residue basis. We use this analysis to identify the structural determinants of EGFR targeted biologics. We suggest that commonly observed binding motifs serve as the basis for rational design of new EGFR targeted biologics, such as peptides, antibodies, and nanobodies.
Integration of proteomic data with genome‐scale metabolic models: A methodological overview
Authors: Zare Farid , Fleming Ronan M. T.
Published: September 2024

The integration of proteomics data with constraint‐based reconstruction and analysis (COBRA) models plays a pivotal role in understanding the relationship between genotype and phenotype and bridges the gap between genome‐level phenomena and functional adaptations. Integrating a generic genome‐scale model with information on proteins enables generation of a context‐specific metabolic model which improves the accuracy of model prediction. This review explores methodologies for incorporating proteomics data into genome‐scale models. Available methods are grouped into four distinct categories based on their approach to integrate proteomics data and their depth of modeling. Within each category section various methods are introduced in chronological order of publication demonstrating the progress of this field. Furthermore, challenges and potential solutions to further progress are outlined, including the limited availability of appropriate in vitro data, experimental enzyme turnover rates, and the trade‐off between model accuracy, computational tractability, and data scarcity. In conclusion, methods employing simpler approaches demand fewer kinetic and omics data, consequently leading to a less complex mathematical problem and reduced computational expenses. On the other hand, approaches that delve deeper into cellular mechanisms and aim to create detailed mathematical models necessitate more extensive kinetic and omics data, resulting in a more complex and computationally demanding problem. However, in some cases, this increased cost can be justified by the potential for more precise predictions.
Peptides inhibiting the assembly of monomeric human l‐lactate dehydrogenase into catalytically active homotetramer decrease the synthesis of lactate in cultured cells
Authors: Stefan Alessandra , Gentilucci Luca , Ruffolo Francesca , Rossi Valentina , Sordi Sofia , He Tingting , di Stefano Giuseppina , Santino Federica , Brigotti Maurizio , Scotti Claudia , Iamele Luisa , de Jonge Hugo , Piaz Fabrizio Dal , Santarcangelo Danilo Rocco , Hochkoeppler Alejandro
Published: September 2024

The energetic metabolism of cancer cells relies on a substantial commitment of pyruvate to the catalytic action of lactate‐generating dehydrogenases. This coupling mainly depends on lactate dehydrogenase A (LDH‐A), which is overexpressed in different types of cancers, and therefore represents an appealing therapeutic target. Taking into account that the activity of LDHs is exclusively exerted by their tetrameric forms, it was recently shown that peptides perturbing the monomers‐to‐tetramer assembly inhibit human LDH‐A (hLDH‐A). However, to identify these peptides, tetrameric hLDH‐A was transiently exposed to strongly acidic conditions inducing its dissociation into monomers, which were tested as a target for peptides at low pH. Nevertheless, the availability of native monomeric hLDH‐A would allow performing similar screenings under physiological conditions. Here we report on the unprecedented isolation of recombinant monomeric hLDH‐A at neutral pH, and on its use to identify peptides inhibiting the assembly of the tetrameric enzyme. Remarkably, the GQNGISDL octapeptide, mimicking the 296–303 portion of hLDH‐A C‐terminal region, was observed to effectively inhibit the target enzyme. Moreover, by dissecting the action of this octapeptide, the cGQND cyclic tetrapeptide was found to act as the parental compound. Furthermore, we performed assays using MCF7 and BxPC3 cultured cells, exclusively expressing hLDH‐A and hLDH‐B, respectively. By means of these assays we detected a selective action of linear and cyclic GQND tetrapeptides, inhibiting lactate secretion in MCF7 cells only. Overall, our observations suggest that peptides mimicking the C‐terminal region of hLDH‐A effectively interfere with protein–protein interactions responsible for the assembly of the tetrameric enzyme.
Benchmarking reverse docking through AlphaFold2 human proteome
Authors: Luo Qing , Wang Sheng , Li Hoi Yeung , Zheng Liangzhen , Mu Yuguang , Guo Jingjing
Published: September 2024

Predicting the binding of ligands to the human proteome via reverse‐docking methods enables the understanding of ligand's interactions with potential protein targets in the human body, thereby facilitating drug repositioning and the evaluation of potential off‐target effects or toxic side effects of drugs. In this study, we constructed 11 reverse docking pipelines by integrating site prediction tools (PointSite and SiteMap), docking programs (Glide and AutoDock Vina), and scoring functions (Glide, Autodock Vina, RTMScore, DeepRMSD, and OnionNet‐SFCT), and then thoroughly benchmarked their predictive capabilities. The results show that the Glide_SFCT (PS) pipeline exhibited the best target prediction performance based on the atomic structure models in AlphaFold2 human proteome. It achieved a success rate of 27.8% when considering the top 100 ranked prediction. This pipeline effectively narrows the range of potential targets within the human proteome, laying a foundation for drug target prediction, off‐target assessment, and toxicity prediction, ultimately boosting drug development. By facilitating these critical aspects of drug discovery and development, our work has the potential to ultimately accelerate the identification of new therapeutic agents and improve drug safety.