bluuebunny/crossref_metadata_2025 huggingface dataset:
Optimizing the Production of Bacterial Cellulose Nanofibers and Nanocrystals Through Strategic Fiber Pretreatment
Authors: Şahin Fulya , Kayra Neslihan , Aytekin Ali Özhan
Published: October 2024

Bacterial cellulose (BC) has unique properties such as high tensile strength, high crystallinity, and high purity. The fiber length of BC causes different attributes. Therefore, the degradation of BC has been studied extensively. In this study, the fibers of BC were rearranged via a DMAc‐LiCl solvent and BC was degraded in the wet state. Two different degradation methods were applied: milling with liquid nitrogen and autoclave treatment. The degraded BCs were characterized by FTIR, TEM, AFM, TGA, and XRD. The solvent helps to align the fibers, making them more crystalline. The degraded BCs had a lower crystalline ratio than untreated BC, due to increased hydrogen bonding during degradation in the wet state. Degradation with an autoclave produced two different degraded BCs: nanofibrils and spherical nanocrystals, with and without solvent pretreatment, respectively. The nanofibril lengths were between 312 and 700 nm depending on the applied method, and the spherical nanocrystal size was 56 nm. The rearrangement via solvent causes an important difference in the degradation of BC. Nanofibrils and nanocrystals can be obtained, depending on the rearrangement of fibers before the degradation process.
Combining Quantitative Susceptibility Mapping With the Gray Matter Volume to Predict Neurological Deficits in Patients With Small Artery Occlusion
Authors: Tang Xuelian , He Zhenzhen , Yang Qian , Yang Tao , Yu Yusheng , Chen Jinan
Published: October 2024

Background

Currently, there is still a lack of valuable neuroimaging markers to assess the clinical severity of stroke patients with small artery occlusion (SAO). Quantitative susceptibility mapping (QSM) is a quantitative processing method for neuroradiological diagnostics. Gray matter (GM) volume changes in stroke patients are also proved to be associated with neurological deficits. This study aims to explore the predictive value of QSM and GM volume in neurological deficits of patients with SAO.

Methods

As neurological deficits, the National Institutes of Health Stroke Scale (NIHSS) was used. Sixty‐six SAO participants within 24 h of first onset were enrolled and divided into mild and moderate groups based on NIHSS. QSM values of infarct area and GM volume were calculated from magnetic resonance imaging (MRI) data. Two‐sample t‐tests were used to compare differences in QSM value and GM volume between the two groups, and the diagnostic efficacy of the combination of QSM value and GM volume was evaluated.

Results

The results revealed both the QSM value and GM volume within the infarct area of the moderate group were lower compared to the mild group. Moderate group exhibited lower GM volume in some specific gyrus compared with mild group in the case of voxel‐wise GM volume on whole‐brain voxel level. The support vector machine (SVM) classifier's analysis showed a high power for the combination of QSM value, GM volume within the infarct area, and voxel‐wise GM volume.

Conclusion

Our research first reported the combination of QSM value, GM volume within the infarct area, and voxel‐wise GM volume could be used to predict neurological impairment of patients with SAO, which provides new insights for further understanding the SAO stroke.
Trend analysis of hematological tumors in adolescents and young adults from 1990 to 2019 and predictive trends from 2020 to 2044: A Global Burden of Disease study
Authors: Huang Linlin , He Jingsong
Published: October 2024

Introduction

Cancer constitutes the primary disease spectrum contributing to the Global Burden of Disease (GBD). Adolescents and young adults (AYA) aged 15–39 have received relatively less attention regarding tumor prevention, diagnosis, and treatment compared to older adults and children. This study aimed to analyze the changes in the disease burden of hematological malignancies among the global AYA over the past three decades based on the GBD database.

Methods

The changes in the disease burden of hematological malignancies were analyzed among the AYA over the past three decades based on the information from the GBD database. The future trends were predicted using the Nordpred package in R.

Results

Our results showed that leukemia ranked first as the leading tumor burden among AYA in 2019, but the incidence rate and mortality rate of leukemia decreased year by year, with a projected age‐standardized incidence rate (ASIR) of 1.65/100,000 for females and 2.40/100,000 for males by the year 2044. In addition, the incidence of non‐Hodgkin‘s lymphoma has been gradually increasing in recent years, with an ASIR of 1.73/100,000 from 2020 to 2024. The results may serve as a basis for developing strategies to reduce the burden of hematological malignancies in the AYA population in different regions.
A thematic analytic account of university support services' acceptability for postgraduate researchers experiencing mental health problems
Authors: Ghaffar Daanish , Berry Clio , Tunks Alice , Hazell Cassie M. , Niven Jeremy E.
Published: October 2024

Background

Doctoral students report high rates of mental health problems. Universities are required to provide support services to all students, yet doctoral students infrequently access such services. For those doctoral students who do access these services, little is known about their experiences. This research aimed to explore the acceptability of university mental health support services for doctoral students with mental health problems.

Methods

The project accessed qualitative data from a large online survey of UK doctoral student mental health, collected between 2018 and 2019, in which doctoral students were asked about their experiences of university support services. Qualitative data from 586 participants were included. The data were analysed using a deductive–inductive thematic analysis approach. A theoretical model of acceptability was used, which had seven thematic categories: affective attitude, burden, ethicality, intervention coherence, opportunity costs, perceived effectiveness and self‐efficacy.

Results

Ten subthemes were identified across the seven higher order themes, reflecting the multidimensional nature of doctoral student experiences of acceptability. Factors including positive interactions with staff and receiving contextually sensitive support were associated with greater acceptability, whilst perceived difficulties relating to confidentiality and accessing help contributed to lower acceptability.

Conclusions

Positive and negative perceptions of university support services were identified across various domains of acceptability. This research identified multiple avenues for improving the acceptability of university support services to the vulnerable doctoral student group, such as better advertisement, upskilling of staff and increased utilisation of remote service delivery. Future research should seek to explore perceptions of diverse student groups and to more precisely identify specific attributes of support services that influence perceptions of acceptability, particularly with respect to perceived effectiveness.
The Impact of Consumer Socioeconomic Status on Their Preferences for Human Versus Robot Service Agents in Luxury Shopping Contexts
Authors: Zhong Wenting , Gao Fei , Xia Lan
Published: October 2024

Service industries are increasingly utilizing service robots to substitute or collaborate with human service providers. Extant literature mainly focuses on studying the usability of service robots and found that consumers with high socioeconomic status (SES) have an advantage in adopting new technology, given their high educational level and abundant resources. However, little research has paid attention to the psychological preference of low SES consumers when facing the choice of service robots and human service agents. This research investigates how consumers' SES influences their concerns and expectations when facing interpersonal interactions in services and, in turn, affects their preferences for service agents (robot vs. human). Across four studies, we found that low SES consumers are more concerned of being evaluated by human service agents in luxury shopping contexts, leading to the preference for interacting with service robots. In contrast, high SES consumers display a higher expectation of receiving preferential treatment from human service agents, but it does not increase high SES consumers' preference for human service agents over service robots. Furthermore, we found that varying the service environment (i.e., a store located in a neighborhood matches with low SES consumers' status) attenuated low SES consumers' preference for service robots. This research offers novel insights for marketers' use of service robots to promote consumer experience and well‐being.
Unraveling the Dual Anti‐Inflammatory and Antioxidant Mechanisms of Acteoside: Computational Insights and Experimental Validation
Authors: Muhtar Eldar , Ylham Gulfira , Tiemuer Atawulla , Edirs Salamet
Published: October 2024

Acteoside (ACT) is one of the primary bioactive ingredients in Cistanche tubulosa (Schenk). Its remarkable efficacy in treating immune‐related and inflammatory disorders has garnered significant interest among scientific circles. However, the anti‐inflammatory and antioxidant effects of ACT and its underlying molecular mechanisms require further investigation. In this study, pharmacophore‐based reverse docking and molecular dynamics simulations identified potential anti‐inflammatory targets in silico. Studies conducted in vitro with lipopolysaccharide (LPS)‐induced RAW264.7 cells validated the anti‐inflammatory properties of ACT. Methyl thiazolyl tetrazolium (MTT) and lactate dehydrogenase (LDH) assays indicated ACT's non‐toxic and growth‐promoting effects on cells. ACT significantly reduced nitric oxide (NO) and reactive oxygen species (ROS) production and restored levels of antioxidant enzymes. It also decreased pro‐inflammatory cytokines. Western blotting assays indicated that ACT inhibited p38, TNF‐α, PI3 K/AKT, and NF‐κB signaling pathways. These findings underscore ACT's ability to mitigate acute inflammation in RAW264.7 cells by modulating key signaling pathways and provide the scientific basis for enhancing the medicinal value of ACT and future drug development.
Comprehensive Computational Screening and Analysis of Natural Compounds Reveals Promising Estrogen Receptor Alpha Inhibitors for Breast Cancer Therapy
Authors: Alam Perwez , Sharma Pradeep , Faiz Arshad Mohammed
Published: October 2024

Breast cancer remains a leading cause of death among women, with estrogen receptor alpha (ERα) overexpression playing a pivotal role in tumor growth and progression. This study aimed to identify novel ERα inhibitors from a library of 561 natural compounds using computational techniques, including virtual screening, molecular docking, and molecular dynamics simulations. Four promising candidates – Protopine, Sanguinarine, Pseudocoptisine, and Stylopine – were selected based on their high binding affinities and interactions with key ERα residues. Molecular dynamics simulations conducted over 500 nanoseconds revealed that Protopine and Sanguinarine exhibited more excellent stability with minimal fluctuations, suggesting strong and stable binding. In contrast, Pseudocoptisine and Stylopine showed higher flexibility, indicating less stable interactions. Binding free energy calculations further supported the potential of Protopine and Sanguinarine as ERα inhibitors, though their binding strength was slightly lower than that of the reference compound. These findings highlight Protopine and Sanguinarine as leading candidates for further investigation, and in vitro and in vivo studies are recommended to evaluate their therapeutic potential in breast cancer treatment.
Exploring DNA Computers: Advances in Storage, Cryptography and Logic Circuits
Authors: Xie Xiaolin , Wang Shuang , Chen Zhi , Yu Yifan , Hu Xiaoxue , Ma Ningning , Ji Min , Tian Ye
Published: October 2024

Over the last four decades, research on DNA as a functional material has primarily focused on its predictable conformation and programmable interaction. However, its low energy consumption, high responsiveness and sensitivity also make it ideal for designing specific signaling pathways, and enabling the development of molecular computers. This review mainly discusses recent advancements in the utilization of DNA nanotechnology for molecular computer, encompassing applications in storage, cryptography and logic circuits. It elucidates the challenges encountered in the application process and presents solutions exemplified by representative works. Lastly, it delineates the challenges and opportunities within this filed.
Role of SEL1L in the progression of solid tumors, with a special focus on its recent therapeutic potential
Authors: Darmadi Darmadi , Saleh Raed Obaid , Oghenemaro Enwa Felix , Shakir Maha Noori , Hjazi Ahmed , Hassan Zahraa F. , Zwamel Ahmed Hussein , Matlyuba Sanoeva , Deorari Mahamedha , Oudah Shamam Kareem
Published: October 2024

Since suppressor/enhancer of Lin‐12‐like (SEL1L) was cloned in 1997, various pieces of evidence from lower species suggest it plays a significant role in protein degradation via the ubiquitin‐proteasome system. The relevance of SEL1L in many aspects of malignant transformation and tumorigenic events has been the subject of research, which has shown compelling in vitro and in vivo findings relating its altered expression to changes in tumor aggressiveness. The Endoplasmic Reticulum (ER) in tumor cells is crucial for preserving cellular proteostasis by inducing the unfolded protein response (UPR), a stress response. A crucial component of the UPR is ER‐associated degradation (ERAD), which guards against ER stress‐induced apoptosis and the removal of unfolded or misfolded proteins by the ubiquitin‐proteasome system. As a protein stabilizer of HMG‐CoA reductase degradation protein 1 (HRD1), one of the main components of ERAD, SEL1L plays an important role in ER homeostasis. Notably, the expression levels of these two proteins fluctuate independently in various cancer types, yet changes in their expression affect the levels of other associated proteins during cancer pathogenesis. Recent studies have also outlined the function of SEL1L in cancer medication resistance. This review explores the value of targeting SEL1L as a novel treatment approach for cancer, focusing on the molecular processes of SEL1L and its involvement in cancer etiology.
Flurbiprofen axetil is involved in basal‐like breast cancer metastasis via suppressing the MEK/ERK signaling pathway
Authors: Zhu Yalin , Gong Yi , Wang Yifei , Jiang Zhengyu , Yao Ying , Miao Xiaoyong , Wang Shuoer , Zhang Yan , Cao Jianping
Published: October 2024

Flurbiprofen axetil is commonly utilized in clinical practice as one of the nonsteroidal anti‐inflammatory drugs (NSAIDs) and is included in multimodal analgesia regimens postbreast cancer surgery. Numerous NSAIDs have been studied for their potential to both promote and inhibit cancer. Given the variability in their effects on tumors, further investigation into the specific role of flurbiprofen axetil is warranted. Therefore, the primary objective of this study was to assess the impact of flurbiprofen axetil on basal‐like breast cancer (BLBC) metastasis and elucidate the underlying molecular mechanisms involved. The BLBC metastasis mouse model was established by caudal vein injection of tumor cells. The lung metastasis of breast cancer in mice and the effect of flurbiprofen axetil were assessed by in vivo bioluminescence imaging, hematoxylin and eosin staining and immunohistochemistry. In vitro, the results of flurbiprofen axetil on the proliferation, migration, and invasion of MDA‐MB‐231 human breast cancer cells and BT‐549 human breast cancer cells were assessed by colony formation assay and transwell assay. The effects of flurbiprofen axetil on several tumor metastasis‐related signaling pathway proteins were examined by western blot, and the reversal extent of the flurbiprofen axetil effect by Ro 67‐7476 (ERK phosphorylation agonist) was detected by transwell assay. The results showed that flurbiprofen axetil significantly inhibited BLBC lung metastasis in mice. Flurbiprofen axetil similarly inhibited breast cancer cell migration and invasion in vitro but did not affect their proliferation. Mechanistic investigations have revealed that flurbiprofen axetil exerts a noteworthy inhibitory influence on the MEK/ERK pathway while exhibiting no significant alteration in the expression of other pathway proteins intricately associated with epithelial–mesenchymal transition. In conclusion, the inhibitory effect of flurbiprofen axetil on BLBC metastasis is characterized by its selectivity in targeting the MEK/ERK signaling pathway rather than exerting a broad impact on the global signaling pathway.
Hydrodeoxygenation of Glycerol to Propene Over Molybdenum and Niobium Phosphate Catalysts
Authors: Enam Wasim , Chowdhury Avik , Laichter Kai , Lin Ka Loi , Mandal Akash , Malakar Bhabani , Bhaumik Asim , Müller Thomas E , Chowdhury Biswajit
Published: October 2024

In single‐step conversion of glycerol to propene, the intricate catalytic pathways with molybdenum and niobium catalysts remain elusive. While these catalysts can effectively accelerate the hydrogenolytic cleavage of the glycerol CO bonds, resulting in a high selectivity to propene, the routes have not been thoroughly studied. This study explores the reaction routes and the role hydrogen plays in determining the product distribution. The hydrodeoxygenation (HDO) of glycerol was investigated using various glycerol purities in both batch and continuous reaction modes. Remarkably, Mo(PO4)x and Nb(PO4)x demonstrated catalytic performance with raw glycerol, indicating that impurities had no detrimental effect on the catalyst's activity. In batch mode, a propene selectivity of 53% was achieved over Mo(PO4)x as the catalyst, highlighting the catalyst's stability under these conditions. In continuous operation, the highest product selectivity to propene (12%) was observed at low temperatures (573 K), while more C2 to C6 alkanes were formed at increased temperatures (623 and 673 K). Whereas a hydrogen atmosphere promotes formation of 2‐propenol, as primary precursor to propene, an inert atmosphere leads to increased formation of propanal and dissociation products. Our work has elucidated new routes to upcycle biorenewable glycerol to propene over Mo(PO4)x and Nb(PO4)x catalysts.
Unspecific Peroxygenase Catalyzes Selective Remote‐Site Functionalizations
Authors: Li Wenxuan , Davis Dali L. , Speina Kevin J. , Monroe Christin B. , Moncrieffe Angelina S. , Cao Yuan , Chen Chih‐Chung , Groves John T.
Published: October 2024

We describe the discovery of an unspecific peroxygenase (UPO) variant that catalyzes the remote‐site functionalization of halogenated and unsaturated hydrocarbons with high catalytic site‐specificity. UPOs are fungal heme‐thiolate biocatalysts with wide‐ranging oxidative activities, including C─H bond oxygenation, usually with limited regioselectivity. We describe here a wild‐type MroUPO, newly isolated in high yield from a previously uncharacterized strain of Marasmius rotula. This variant, MroUPO‐TN, catalyzes the selective oxygenation of a range of haloalkanes, cyclic haloalkanes and cyclic olefins to generate useful remote‐site haloketones. The regioselectivity for eight‐membered rings reaches 99% with significant enantiomeric excess. Mechanistic studies performed with deuterated substrates and 18O‐labeling experiments have revealed a synergy between intrinsic substrate properties and the highly aliphatic, heme active site. The observed selectivity offers routes to new and useful, bifunctional synthons and pharmacophores, thus providing practical ways to employ these natural and environmentally benign biocatalysts.
Hydrothermal Green Synthesis of LaOx‐Modified Pt/C Catalyst for Glycerol‐to‐Glycerate Electrooxidation in Alkaline Medium
Authors: Cursi Fabiano S. , Servat Karine , Morais Cláudia , Napporn Teko W. , Kokoh K. Boniface , de Andrade Adalgisa R.
Published: October 2024

Using the bromide anion exchange (BAE) green method to obtain carbon‐supported nanoparticles, Pt(LaOx)/C was successfully prepared under mild conditions. This material, containing LaOx species generated in situ during the synthesis, was efficiently used as an anode to perform glycerol oxidation in alkaline medium in batch mode and at room temperature. In a direct alcohol fuel cell (DAFC), this catalyst was able to boost the glycerol‐to‐glycerate conversion with a 49% selectivity and a 28% power density higher than the same system using a BAE‐synthesized Pt/C anode. The increase in catalytic activity may be due to the interaction of LaOx with the Pt active sites, acting as a bifunctional electrode. Furthermore, when used as an anode in an electrolysis setup, the selectivity of glycerol toward glycerate increased up to 67%. In situ FTIR and HPLC analyses confirmed the formation of the value‐added glycerol oxidation products.
High‐performance Porous Electrodes for Flow Batteries: Improvements of Specific Surface Areas and Reaction Kinetics
Authors: Pan Lyuming , Guo Zixiao , Li Hucheng , Wang Yilin , Rao Haoyao , Jian Qinping , Sun Jing , Ren Jiayou , Wang Zhenyu , Liu Bin , Han Meisheng , Li Yubai , Fan Xinzhuang , Li Wenjia , Wei Lei
Published: October 2024

Electrodes, which offer sites for mass transfer and redox reactions, play a crucial role in determining the energy efficiencies and power densities of redox flow batteries. This review focuses on various approaches to enhancing electrode performance, particularly the methods of surface etching and catalyst deposition, as well as some other advanced strategies for regulating electrode surface properties. These approaches aim to increase active sites and enhance kinetics for the redox reactions, which are crucial for elevating power density and electrolyte utilization, eventually determining the performance of the flow battery. Highlighting the need for interdisciplinary research, this mini‐review suggests that future advancements in electrode design will significantly impact the commercial viability and adoption of redox flow batteries in sustainable energy storage solutions.
North Dakota corn efficiency frontier: Stochastic frontier analysis
Authors: Badarch Bayarbat , Roberts David C. , Popp Michael P.
Published: October 2024

According to climate studies in North Dakota, the state's crop‐growing season has been extended. In addition, many studies have shown technological advances in crop production. However, the state has not addressed how crop yield has been affected by weather changes. Thus, this paper investigates the state's corn (Zea mays) yield potential and efficiency measures based on agricultural input use and weather variables from 1994 to 2018. We found that the effects of temperature and precipitation on the state's corn yield frontier (potential) were greater than those of changing agricultural input variables. The stochastic frontier model indicates that the proportion of the total variance attributable to inefficiencies or unexpected shifts in the corn yield frontier were primarily (81%) caused by favorable or unfavorable temperature and precipitation variations each year. At least half of the corn‐producing districts were technically efficient, reaching at least 85% of yield potential from 1994 to 2018. Thus, better interannual weather forecasting and input use management taking weather risk management into account will bring higher corn yields for North Dakota farmers.
Soybean production and net revenue variability in an integrated crop–livestock system
Authors: Rushing J. Brett , Maples Joshua G. , Harvey Kelsey M. , Lyles Johnson C.
Published: October 2024

The integration of grazing cover crops in combination with soybean [Glycine max (L.) Merr.] production has the potential to increase total farm revenue. The objectives of this research were to determine the effect grazing had on subsequent soybean production and the economic implications of this practice. A field trial was conducted at the Coastal Plain Branch Experiment Station (CPBES) in Newton, MS, and the Prairie Research Unit (PRU) in Prairie, MS, from 2021 to 2023 to compare three cropping systems on two distinct soil types. Cropping systems included: conventional soybean (CS); no‐till soybean + cereal rye (Secale cereale L.) cover crop (CC); and no‐till soybean + grazed cereal rye cover crop (GC). Treatments were applied in a randomized complete block design with three replications at each location. Analysis was separated by location. Cover crop, soybean production, animal performance, and economic analysis were evaluated for each treatment. Soybean grain yield varied by treatment; GC (54.6 bu acre−1) was greater than CS (52.3 bu acre−1) at CPBES. At PRU, CS (68.5 bu acre−1) had greater soybean yield than all other treatments. Cover crop forage mass (FM) was 5077 lb acre−1 at CPBES, compared to 3094 lb acre−1 at PRU, resulting in subsequent cattle revenue of $593.64 and $160.29 acre−1 for CPBES and PRU, respectively. Soybean revenue was greatest for GC at CPBES ($691.78 acre−1) and CS at PRU ($867.89 acre−1). Net returns above production costs were greatest for GC at CPBES ($811.59 acre−1) and CS at PRU ($528.58 acre−1). Findings suggest grazing cereal rye cover crop has the potential to increase net returns in a no‐till soybean system on coarse textured soils, but reduces soybean grain yield on heavy, poorly drained sites.
Electrochemical Synthesis of Metal Complexes Using Dissolving Anodes
Authors: Nicholls Thomas P. , Jia Zhongfan , Chalker Justin M.
Published: October 2024

The use of dissolving metal electrodes for the direct electrochemical synthesis of metal complexes has been used widely in the last decade. A major benefit of the electrochemical approach is the minimal by‐products resulting from the synthesis. As such, metal complexes can be produced on‐demand and used directly in catalysis without the need for purification. Furthermore, the electrochemical method enables the production of metal complexes that cannot be synthesized using other methods, including those with base‐sensitive ligands. General principles of the electrochemical method and recent advances in the field are discussed.
Towards New Anti‐Inflammatory Agents: Design, Synthesis and Evaluation of Molecules Targeting XIAP‐BIR2
Authors: Farag Marc , Guedeney Nicolas , Schwalen Florian , Zadoroznyj Aymeric , Barczyk Amélie , Giret Martin , Antraygues Kevin , Wang Alice , Cornu Marie , Suzanne Peggy , Since Marc , Sophie Voisin‐Chiret Anne , Dubrez Laurence , Leleu‐Chavain Natascha , Kieffer Charline , Sopkova‐de Oliveira Santos Jana
Published: October 2024

The X‐chromosome‐linked inhibitor of apoptosis protein (XIAP) plays a crucial role in controlling cell survival across multiple regulated cell death pathways and coordinating a range of inflammatory signalling events. The discovery of selective inhibitors for XIAP‐BIR2, able to disrupt the direct physical interaction between XIAP and RIPK2, offer promising therapeutic options for NOD2‐mediated diseases like Crohn's disease, sarcoidosis, and Blau syndrome. The objective of this study was to design, synthesize, and evaluate small synthetic molecules with binding selectivity to XIAP‐BIR2 domain. To achieve this, we applied an interdisciplinary drug design approach and firstly we have synthesized an initial fragment library to achieve a first XIAP inhibition activity. Then using a growing strategy, larger compounds were synthesized and one of them presents a good selectivity for XIAP‐BIR2 versus XIAP‐BIR3 domain, compound 20 c. The ability of compound 20 c to block the NOD1/2 pathway was confirmed in cell models. These data show that we have synthesized molecules capable of blocking NOD1/2 signalling pathways in cellulo, and ultimately leading to new anti‐inflammatory compounds.
The Radiative Efficiency and Global Warming Potential of HCFC‐132b
Authors: Alvarado‐Jiménez Daniela , Pietropolli Charmet Andrea , Stoppa Paolo , Tasinato Nicola
Published: October 2024

Hydro‐chloro‐fluoro‐carbons (HCFCs) are potent greenhouse gases which strongly absorb the infrared (IR) radiation within the 8–12 μm atmospheric windows. Despite international policies schedule their phasing out by 2020 for developed countries and 2030 globally, HCFC‐132b (CH2ClCClF2) has been recently detected with significant atmospheric concentration. In this scenario, detailed climate metrics are of paramount importance for understanding the capacity of anthropogenic pollutants to contribute to global warming. In this work, the radiative efficiency (RE) of HCFC‐132b is experimentally measured for the first time and used to determine its global warming potential (GWP) over 20‐, 100‐ and 500‐year time horizon. Vibrational‐ and rotational‐spectroscopic properties of this molecule are first characterized by exploiting a synergism between Fourier‐transform IR (FTIR) spectroscopy experiments and quantum chemical calculations. Equilibrium geometry, rotational parameters and vibrational properties predicted theoretically beyond the double‐harmonic approximation are employed to assist the vibrational assignment of the experimental trace. Finally, FTIR spectra measured over a range of pressures are used to determine the HCFC‐132b absorption cross section spectrum from 150 to 3000 cm−1, from which istantaneous and effective REs are derived and, in turn, used for GWP evaluation.
Understanding the Electrochemical Carbon Dioxide Reduction Reaction Mechanism of Lattice Tuning of Copper by Silver Single‐Crystal Surface
Authors: Zheng Tao , Zhang Xia‐Guang
Published: October 2024

Intermolecular interactions and adsorbate coverage on a metal electrode's surface/interface play an important role in CO2 reduction reaction (CO2RR). Herein, the activity and selectivity of CO2RR on bimetallic electrode, where a full monoatomic Cu layer covers on Ag surface (CuML/Ag) are investigated by using density functional theory calculations. The surface geometric and electronic structure results indicate that there is high electrocatalytic activity for CO2RR on the CuML/Ag electrode. Specifically, the CuML/Ag surface can accelerate the H2O and CO2 adsorption and hydrogenation while lowering the reaction energy of the rate‐determining step. The structure parameters of chemisorbed CO2 with and without H2O demonstrate that activated H2O not only promotes the C−O dissociation but also provides the protons required for CO2RR on the CuML/Ag electrode surface. Furthermore, the various reaction mechanism diagrams indicate that the CuML/Ag electrode has high selectivity for CO2RR, and the efficiency of products can be regulated by modulating the reaction's electric potential.
Aluminum Fluorides as Noncovalent Lewis Acids in Proteins: The Case of Phosphoryl Transfer Enzymes
Authors: Burguera Sergi , Vidal Lenin , Bauzá Antonio
Published: October 2024

The Protein Data Bank (PDB) was scrutinized for the presence of noncovalent O ⋅ ⋅ ⋅ Al Triel Bonding (TrB) interactions, involving protein residues (e. g. GLU and GLN), adenosine/guanine diphosphate moieties (ADP and GDP), water molecules and two aluminum fluorides (AlF3 and AlF4−). The results were statistically analyzed, revealing a vast number of O ⋅ ⋅ ⋅ Al contacts in the active sites of phosphoryl transfer enzymes, with a marked directionality towards the Al σ‐/π‐hole. The physical nature of the TrBs studied herein was analyzed using Molecular Electrostatic Potential (MEP) maps, the Quantum Theory of Atoms in Molecules (QTAIM), the Non Covalent Interaction plot (NCIplot) visual index and Natural Bonding Orbital (NBO) studies. As far as our knowledge extends, it is the first time that O ⋅ ⋅ ⋅ Al TrBs are analyzed within a biological context, participating in protein trapping mechanisms related to phosphoryl transfer enzymes. Moreover, since they are involved in the stabilization of aluminum fluorides inside the protein's active site, we believe the results reported herein will be valuable for those scientists working in supramolecular chemistry, catalysis and rational drug design.
A Double Lysis Method for Animal Rotavirus RNA Extraction From Stool Samples
Authors: Acquah Maame Ekua , Adadey Samuel Mawuli , Languon Sylvester , Quaye Osbourne
Published: October 2024

Globally, porcine rotavirus is a leading cause of gastroenteritis in nursing and post‐weaning piglets, as well as adult pigs. Between February 2015 and June 2016, 156 fecal samples were collected from pigs in the Northeastern part of Accra, Ghana, and screened for Group A rotavirus using the ProflowTM Kit. Here, we describe different extraction methods that were employed to recover high‐quality RNA for downstream analysis, with emphasis on a novel hybrid extraction method. The hybrid approach with a kit and manual extraction method led to a 10‐fold greater RNA yield versus the kit‐based method alone. The new extraction method gave an average purity ratio (A260/A280) of 1.8, which was also significantly higher than that obtained solely from the manual or kit‐based extraction methods. Our novel hybrid approach will be useful in the extraction of rotavirus from animal fecal samples, thus improving the yield of RNA for downstream analysis. © 2024 Wiley Periodicals LLC.

Basic Protocol: Hybrid 2: A double lysis method for RNA extraction from animal stool samples

Support Protocol 1: The GenElute extraction method

Support Protocol 2: Hybrid 1 extraction method
Differential physiological and metabolic responses to drought stress and post‐stress recovery for annual bluegrass and creeping bentgrass
Authors: McBride Sean , Rossi Stephanie , Huang Bingru
Published: October 2024

Annual bluegrass (Poa annua L.) and creeping bentgrass (Agrostis stolonifera L.) commonly coexist in turfgrass ecosystems but differ in drought tolerance, contributing to uneven turf quality. This study was conducted to examine the physiological and metabolic responses of P. annua and A. stolonifera to drought stress and rewatering and identify major metabolites associated with the interspecific variation in drought tolerance and recovery. Plants grown in controlled‐environment chambers were well irrigated (non‐stress control) or subjected to drought stress by withholding irrigation for 21 days. For the evaluation of post‐stress recovery, drought‐stressed plants were rewatered for an additional 21 days. Leaf relative water content, visual turf quality, green canopy cover, and leaf electrolyte leakage were measured weekly. Metabolomic analysis was performed with leaf tissue collected at 21 days of drought stress and 21 days of rewatering. Poa annua demonstrated lower drought tolerance and post‐stress recovery compared to A. stolonifera when drought‐stressed plants were compared to their respective control across physiological parameters. Metabolomic analysis identified a relatively greater upregulation of sugars and amino acids in A. stolonifera and downregulation of more carbon intermediates and nucleic acids in P. annua in response to drought stress. Upon rewatering, both species had declined sugar content and increased carbon intermediates and nucleic acids. The differential response to drought stress and recovery between A. stolonifera and P. annua could be attributed to a greater accumulation of sugars and amino acids involved in osmotic adjustment during drought stress and their utilization upon rewatering to stimulate post‐stress recovery in A. stolonifera.
Can corporate social responsibility increase person organizational fit and extra role behavior that impacts sustainability
Authors: Winarno Alex , Hia Ahmad Kultur , Waruwu Nurdelima , Gadzali Silvy Sondari , Hermana Deni
Published: October 2024

Sustainability has become a collective responsibility, including in higher education. However, the conceptual framework for designing strategies such as corporate social responsibility (CSR) is highly complex. Integrating CSR activities into organizational governance is relatively new in higher education. Further studies are needed to place CSR into the organizational structure functionally. The research objective is to clarify the integration of CSR to improve the person organizational fit (POF) and encourage extra‐role behavior. A causal study was conducted by surveying 487 staff and lecturers selected based on multistage random sampling in West Java and Banten region private universities, Indonesia. Analysis using structural equation model (SEM) with maximum likelihood estimation method. The finding is that internal and external CSR have different functions that support improving POF and extra‐role behavior. External CSR helps identify values and norms that form the basis of POF. Internal CSR legitimize the values demonstrated by the institution based on the benefits felt by staff and lecturers. CSR integration encourages value congruence and feedback through extra roles in higher education institutions. The research contributions are explaining the formation of extra behavior in higher education according to the views of social identity theory and norm activation theory on the formation of employee behavior, which ultimately encourages sustainability in higher education.
Corporate social responsibility, ownership structure, and corporate governance—An analysis of the Brazilian firm
Authors: Forte Hyane Correia , Crisóstomo Vicente Lima , López‐Iturriaga Félix Javier
Published: October 2024

Under the agency and stakeholder theories, this study analyzes the influence of ownership structure and corporate governance (CG) on the Brazilian firm corporate social responsibility (CSR), taking into account that shareholders' and other stakeholders' interests may matter for CSR. For a sample of 796 firm‐year observations from firms listed on the Brazilian stock exchange, in the period 2010–2022, models are estimated using feasible generalized least squares. Results signal that higher ownership concentration favors CSR performance. Furthermore, shareholding control configuration also matters for CSR. In accordance with the positive effect of high ownership concentration, firms with dominant control tend to adopt strategies that promote CSR policy, possibly seeking improvement of firm image and reputation. On the other hand, dispersed control inhibits firm CSR. Perhaps, minority shareholders are more short‐term oriented and do not trust in short‐term return from CSR. Additionally, the findings indicate that CG positively influences the extent of firm CSR.
Corporate social responsibility sophistication: Company‐specific drivers among early and late adopters
Authors: Kunkel Kyra , Wigge Katharina , Lueg Rainer
Published: October 2024

This study examines the internal company drivers of corporate social responsibility (CSR) sophistication from a diffusion theory perspective. Bertram et al.'s (2015) framework on implementation drivers of innovations is used as our basis to operationalize the internal company drivers influencing CSR sophistication. We conduct fixed‐effects regressions on a sample of 1919 international for‐profit companies listed on the STOXX 1800 index (17,848 company years over the period 2002–2020) and explore several sub‐portfolios. This study finds that management training, board skills, CEO compensation based on total shareholder return, and quality management systems drive CSR sophistication. Management training is the strongest and most consistent driver. Our analyses show that the effects of the identified drivers are strongest for portfolios of companies with previously low CSR sophistication. Moreover, early adopters appear to be motivated to utilize CSR for both economic reasons and legitimacy. While we find that board members with a finance background improve CSR sophistication, we also show that this increase mainly stems from improving governance practices. Last, we show that CSR sophistication notably increased over time, and parallel with the per capita wealth of the country that hosts its headquarters. Overall, this study is the first to investigate the internal company drivers of non‐binary CSR sophistication using large‐scale panel data, thereby exploring the effects of early/late adoption and the individual pillars of E, S, and G.
Adaptive evolution and functional significance of the PPARGC1A gene across diverse animal species
Authors: Hosseini Seyed Mahdi , Ullah Farman , Ahmad Muhammad Zulfiqar , Pasandideh Majid , Liang Aixin , Hua Guohua , Yang Liguo
Published: October 2024

Codon‐based analyses of the PPARGC1A gene across 38 vertebrate species were deployed to elucidate patterns of evolutionary change. Employing maximum likelihood assessments through MEGA, we scrutinized 447 codon positions addressing the entire coding region, excluding positions mired by gaps or missing data. Distinct codons manifested variance in selection pressures, particularly codons 4, 11, 66, and 123, which exhibited positive dN‐dS values suggestive of positive selection. Codon 137 displayed the most pronounced dN‐dS value, signifying intensified selective advantage. Meanwhile, codons 30 and 90 portrayed near‐neutral scores, indicative of purifying selection. Complementary computational methods (IFEL, REL, FUBAR, and SLAC) confirmed positive selection at specific codon sites, with varying degrees of corroboration. The integration of mixed‐effect modeling (MEME) identified episodic diversifying selection, pinpointing codons that underwent selection episodes in certain lineages. Refined codon model selection lent insight into substitution rates, revealing nuanced degrees of evolutionary conservation among different codons. Supporting these genetic insights, the phylogenetic analysis highlighted relationships among the PPARGC1A sequences and domain analysis confirmed conserved features across species, while protein–protein interaction networks suggested a complex web of functional interdependencies. These findings advance our understanding of the PPARGC1A gene's evolutionary trajectory and underscore the gene's potential adaptive significance within diverse vertebrate lineages.
Changes in Soil Bacterial and Fungal Community Composition and Functional Groups During the Artificial Restoration of Degraded Grassland of “Black‐Soil Mountain”
Authors: Xie Lele , Ma Yushou , Wang Yanlong , Ma Yuan , Wang Xiaoli
Published: October 2024

About 35% of grassland in Sanjiangyuan area of China has degenerated into black‐soil mountain. Artificial grassland is considered to be an effective measure to alleviate the severely degraded grassland in the alpine region of the three rivers and has been widely used. However, the pattern, potential function, and changes of carbon and nitrogen contents of soil microorganisms in degraded grassland in Heimushan by planting artificial grassland are still unclear. In this study, mixed‐sown artificial alpine grassland (AG) was the focus of our study, whereas degraded black‐soil mountain grassland (BG) and natural alpine grassland (NG) served as controls. Illumina 16S and ITS gene sequence analyses were used to analyze the community structure of the soil bacteria and fungi. The functional groups of NG, AG, and BG were predicted using the FAPROTAX and FUNGuild databases. In addition, the levels of soil carbon, nitrogen, and soil enzyme activities were evaluated. The results indicated a significant increase in the aboveground biomass of BG due to the planting artificial grassland. Moreover, the contents of total carbon (TC), total nitrogen (TN), ammonium nitrogen (), microbial biomass carbon (MBC), microbial biomass nitrogen (MBN), and leucine aminopeptidase (LAP) increased in the soil. Planting artificial grasslands changed the composition of bacterial and fungal communities. Among these, the bacterial community was more sensitive to planting artificial grasslands. The relative abundance of bacterial functional groups involved in carbon and nitrogen cycling changed significantly, suggesting that bacteria may play a role in regulating nutrient cycling during artificial grassland planting. Soil TC, TN, LAP, and affected the microbial community structure related to carbon and nitrogen. and β‐1,4‐glucosidase were carbon and nitrogen factors, respectively, that affected functional changes in fungi. These results indicate that planting artificial grasslands can effectively enhance the productivity of degraded black‐soil mountain and regulate soil microbial communities and soil physical and chemical properties.
Host Resistance and Behavior Determine Invasion Dynamics of a Detrimental Aquatic Disease
Authors: Koivu‐Jolma Mikko , Kortet Raine , Vainikka Anssi , Kaitala Veijo
Published: October 2024

Understanding the role of variation in host resistance and the multitude of transmission modes of parasites infecting hosts with complex behavioral interactions is essential for the control of emerging diseases. We used a discrete stage model to study the invasion dynamics of crayfish plague—an example of a detrimental disease—into a naïve host population that displays within‐population variation in resistance of environmental infections and juvenile classes that are safe from contacts with adults. In the model, infection sources include four age classes of crayfish, contaminated carcasses, and free‐dwelling zoospores. Disease transmission occurs via environment with a threshold infection density and through contacts, cannibalism, and scavenging of disease‐killed conspecifics. Even if the infection is fatal, coexistence of the host and the parasite can be facilitated by variance of resistance and survival of the hiding juveniles. The model can be applied in the control of emerging diseases especially in crayfish‐like organisms.
Mycorrhizal fungi as critical biotic filters for tree seedling establishment during species range expansions
Authors: Tourville Jordon C. , Horton Thomas R. , Dovciak Martin
Published: October 2024

Global warming has been shifting climatic envelopes of many tree species to higher latitudes and elevations across the globe; however, unsuitable soil biota may inhibit tree migrations into these areas of suitable climate. Specifically, the role of mycorrhizal fungi in facilitating tree seedling establishment beyond natural species range limits has not been fully explored within forest ecosystems. We used three experiments to isolate and quantify the effects of mycorrhizal colonization and common mycorrhizal networks (CMN) on tree seedling survival and growth across (within and beyond) the elevational ranges of two dominant tree species in northeastern North America, which were associated with either arbuscular mycorrhiza (AMF, Acer saccharum) or ectomycorrhiza (EMF, Fagus grandifolia). In order to quantify the influence of mycorrhiza on seedling establishment independent of soil chemistry and climate, we grew seedlings in soils from within and beyond our study species ranges in a greenhouse experiment (GE) as well as in the field using a soil translocation experiment (STE) and another field experiment manipulating seedling connections to potential CMNs (CMNE). Root length colonized, seedling survival and growth, foliar nutrients, and the presence of potential root pathogens were examined as metrics influencing plant performance across species' ranges. Mycorrhizal inoculum from within species ranges, but not from outside, increased seedling survival and growth in a greenhouse setting; however, only seedling survival, and not growth, was significantly improved in field studies. Sustained potential connectivity to AMF networks increased seedling survival across the entire elevational range of A. saccharum. Although seedlings disconnected from a potential CMN did not suffer decreased foliar nutrient levels compared with connected seedlings, disconnected AM seedlings, but not EM seedlings, had significantly higher aluminum concentrations and more potential pathogens present. Our results indicate that mycorrhizal fungi may facilitate tree seedling establishment beyond species range boundaries in this forested ecosystem and that the magnitude of this effect is modulated by the dominant mycorrhizal type present (i.e., AM vs. EM). Thus, despite changing climate conditions beyond species ranges, a lack of suitable mutualists can still limit successful seedling establishment and stall adaptive climate‐induced shifts in tree species distributions.