bluuebunny/crossref_metadata_2025_split huggingface dataset:
Similar two‐year improvement in patient‐reported outcomes in patients 40 years and older with outerbridge grade III and IV lesions following ACL reconstruction
Authors: Kleinsmith Rebekah M. , Doxey Stephen A. , Puckett Haley D. , Huyke‐Hernández Fernando A. , Only Arthur J. , Kweon Christopher Y. , Cunningham Brian P. 
Published: September 2024

AbstractPurposeThis study aims to evaluate clinical and patient‐reported outcome measures (PROMs) of patients 40 years and older that underwent anterior cruciate ligament reconstruction (ACLR) and determine the influence of preexisting arthritis and chondral wear on ACLR outcomes. We hypothesized that patients aged 40+ with ACLR would have excellent clinical outcomes and PROMs regardless of preexisting arthritic changes.MethodsA total of 118 patients were included. Patients aged 40 years and older who underwent ACLR in a single healthcare system between 2009 and 2016 were eligible. Outcomes assessed include Knee Injury and Osteoarthritis Outcome Scores (KOOS), Single Assessment Numeric Evaluation (SANE) scores, intraoperative Outerbridge grading, preoperative Kellgren–Lawrence (KL) grading and postoperative complication rates over a 2‐year period.ResultsAverage increase in KOOS and SANE scores were 21.2  19.9 and 23.5  31.3, respectively. Patients with Outerbridge grade III and IV lesions in weight‐bearing compartments had lower baseline SANE and KOOS scores than those without (47.1 ± 22.0 vs. 64.5 ± 23.6 baseline SANE and 43.1 ± 18.1 vs. 63.5 ± 15.9 baseline KOOS; p = 0.002 and p < 0.001, respectively) with no significant difference in the amount of change in SANE or KOOS scores (p = 0.111 and p = 0.165 respectively). Patients with KL‐grade 2+ osteoarthritis experienced similar changes in KOOS and SANE over the 2‐year period to their counterparts (p = 0.598 and p = 0.643, respectively).ConclusionThere is no correlation between preexisting osteoarthritic changes or chondral defects and PROs. KOOS and SANE scores both increased postoperatively. When treating older patients with an ACL tear, surgeons should consider the activity level and desires of the patient as they determine appropriate treatment. Preexisting osteoarthritis does not correlate with patient‐reported outcomes for ACLR.Level of EvidenceLevel IV
The other face of facioscapulohumeral muscular dystrophy: Exploring orofacial weakness using muscle ultrasound
Authors: Vincenten Sanne C. C. , van Doorn Jeroen L. M. , Teeselink Sjan , Rasing Nathaniel B. , Padberg George W. , Voermans Nicol C. , van Engelen Baziel G. M. , van Alfen Nens , Mul Karlien 
Published: September 2024

AbstractIntroduction/AimsOne of the most distinct clinical features of facioscapulohumeral muscular dystrophy (FSHD) is facial weakness. It leads to diminished facial expression and functional impairments. Despite its clinical relevance, little else is known about orofacial muscle involvement. We therefore evaluated orofacial muscle involvement in a sizeable cohort of FSHD participants with muscle ultrasound.MethodsMuscle ultrasound images of the following orofacial muscles were scored visually and quantitatively: depressor anguli oris (DAO), orbicularis oris (OO), buccinator, temporalis, masseter, digastric, zygomaticus major and minor bilaterally, and the geniohyoid. Reliability analyses of both visual and quantitative evaluations were performed. Ultrasound results were correlated with other measures: the FSHD clinical score, facial weakness score, and facial function scale.ResultsWe included 107 FSHD participants (male 54%; age 52 ± 14 years), of whom 92% showed signs of facial weakness. The reliability of visual ultrasound analysis varied widely (κ 0.0–1.0). Quantitative ultrasound reliability was high (intraclass correlation analysis ≥ 0.96). The DAO, buccinator, OO, temporalis, and zygomaticus minor muscles were affected most often (15%–39%). The digastric, geniohyoid, zygomaticus major, and masseter muscles were least often affected (<5%). The ultrasound compound score correlated weakly to moderately with other outcome measures used (ρ = 0.3–0.7).DiscussionThis study adds to the understanding of orofacial weakness in FSHD, confirming the involvement of the muscles of facial expression in FSHD using ultrasound. We showed that orofacial muscle ultrasound is feasible and reliable when quantitatively assessed. Future studies should evaluate orofacial muscle ultrasound longitudinally, alongside clinical and patient‐reported facial weakness outcome measures, to assess their potential as outcome measures.
Seasonal variations in biomechanical properties of Elymus species: Implications for assessing coastal ecosystem services
Authors: Liu Jintian , Liu Qiyue , Kutschke Steven , Kosmalla Viktoria , Schürenkamp David , Goseberg Nils , Böl Markus 
Published: September 2024

AbstractHigher wave heights and currents can greatly increase erosion rates. If the coastal region is exposed to long‐term erosion without protective measures, the coastline will irreversibly retreat landwards and endanger coastal assets. One of the solutions is to make use of the natural coastal vegetation, which can both stabilise the soil and contribute to wave attenuation. One of the most important plants for ecosystem services is the Elymus due to its ability to stabilise upper salt marshes and prevent erosion. In order to better predict the fluid‐plant interaction and wave attenuation by vegetation, an experimental characterization has been carried out on Elymus species in this study to determine the bending flexibility and material stiffness of the plants. For this purpose, three‐point and two‐point bending tests were performed on different sections of Elymus collected in March, Jun and September to investigate the seasonal changes in the tissue‐related mechanical behaviour. Based on the structural properties obtained from histological studies of the cross‐sections, the non‐linear material behaviour of Elymus was unravelled from the experimentally measured bending behaviour using the inverse finite element method. The results of these experiments revealed some surprising differences in the flexibility of the stems at different seasons. Furthermore, by comparing the data from the tissue samples and the simulations, valuable insight is gained into how the morphology and mechanical behaviour of plants change throughout the year. The experimental and numerical results obtained will help to predict how plants interact with the fluid and how wave attenuation relates to different vegetation conditions, for example, plant density, stiffness and dimensions.
Distributive fairness during the transition to adolescence: The role of peer comparison and social value orientation
Authors: Liu Siqi , Hu Xinmu , Ge Weijun , Mai Xiaoqin 
Published: September 2024

AbstractCombining the dictator game (DG) and the ultimatum game (UG), this study recruited 546 Chinese children (321 boys, aged 9–12 years) as distributors, and found that both peer comparison and social value orientation (SVO) significantly influenced children's distributive fairness from late childhood to early adolescence. Results showed that as the unfairness of peer proposals increased, participants decreased the amount of gold coins distributed to the receiver in both tasks, revealing a peer comparison effect. This effect was more pronounced for adolescents than for children in both tasks. In addition, participants' fair distribution behaviors in the DG showed a three‐way interaction effect of SVO, grade, and peer comparison. Specifically, for proselfs, children were not influenced by peers and consistently proposed self‐interested distributions, whereas adolescents exhibited a peer comparison effect; for prosocials, both children and adolescents were influenced by peers, but children decreased the amount of their distributions only when they saw peers make extremely unfair distributions, whereas adolescents decreased the amount of their distributions when they saw peers make both mildly and extremely unfair distributions. This study highlights the importance of social environment and personal trait in shaping children's fair distribution behavior during the transition from late childhood to early adolescence.
AlzDiscovery: A computational tool to identify Alzheimer's disease‐causing missense mutations using protein structure information
Authors: Pan Qisheng , Parra Georgina Becerra , Myung Yoochan , Portelli Stephanie , Nguyen Thanh Binh , Ascher David B. 
Published: September 2024

AbstractAlzheimer's disease (AD) is one of the most common forms of dementia and neurodegenerative diseases, characterized by the formation of neuritic plaques and neurofibrillary tangles. Many different proteins participate in this complicated pathogenic mechanism, and missense mutations can alter the folding and functions of these proteins, significantly increasing the risk of AD. However, many methods to identify AD‐causing variants did not consider the effect of mutations from the perspective of a protein three‐dimensional environment. Here, we present a machine learning‐based analysis to classify the AD‐causing mutations from their benign counterparts in 21 AD‐related proteins leveraging both sequence‐ and structure‐based features. Using computational tools to estimate the effect of mutations on protein stability, we first observed a bias of the pathogenic mutations with significant destabilizing effects on family AD‐related proteins. Combining this insight, we built a generic predictive model, and improved the performance by tuning the sample weights in the training process. Our final model achieved the performance on area under the receiver operating characteristic curve up to 0.95 in the blind test and 0.70 in an independent clinical validation, outperforming all the state‐of‐the‐art methods. Feature interpretation indicated that the hydrophobic environment and polar interaction contacts were crucial to the decision on pathogenic phenotypes of missense mutations. Finally, we presented a user‐friendly web server, AlzDiscovery, for researchers to browse the predicted phenotypes of all possible missense mutations on these 21 AD‐related proteins. Our study will be a valuable resource for AD screening and the development of personalized treatment.
Ligand‐induced CaMKIIα hub Trp403 flip, hub domain stacking, and modulation of kinase activity
Authors: Narayanan Dilip , Larsen Anne Sofie G. , Gauger Stine Juul , Adafia Ruth , Hammershøi Rikke Bartschick , Hamborg Louise , Bruus‐Jensen Jesper , Griem‐Krey Nane , Gee Christine L. , Frølund Bente , Stratton Margaret M. , Kuriyan John , Kastrup Jette Sandholm , Langkilde Annette E. , Wellendorph Petrine , Solbak Sara M. Ø. 
Published: September 2024

Abstractγ‐Hydroxybutyric acid (GHB) analogs are small molecules that bind competitively to a specific cavity in the oligomeric CaMKIIα hub domain. Binding affects conformation and stability of the hub domain, which may explain the neuroprotective action of some of these compounds. Here, we describe molecular details of interaction of the larger‐type GHB analog 2‐(6‐(4‐chlorophenyl)imidazo[1,2‐b]pyridazine‐2‐yl)acetic acid (PIPA). Like smaller‐type analogs, PIPA binding to the CaMKIIα hub domain promoted thermal stability. PIPA additionally modulated CaMKIIα activity under sub‐maximal CaM concentrations and ultimately led to reduced substrate phosphorylation. A high‐resolution X‐ray crystal structure of a stabilized CaMKIIα (6x mutant) hub construct revealed details of the binding mode of PIPA, which involved outward placement of tryptophan 403 (Trp403), a central residue in a flexible loop close to the upper hub cavity. Small‐angle X‐ray scattering (SAXS) solution structures and mass photometry of the CaMKIIα wild‐type hub domain in the presence of PIPA revealed a high degree of ordered self‐association (stacks of CaMKIIα hub domains). This stacking neither occurred with the smaller compound 3‐hydroxycyclopent‐1‐enecarboxylic acid (HOCPCA), nor when Trp403 was replaced with leucine (W403L). Additionally, CaMKIIα W403L hub was stabilized to a larger extent by PIPA compared to CaMKIIα hub wild type, indicating that loop flexibility is important for holoenzyme stability. Thus, we propose that ligand‐induced outward placement of Trp403 by PIPA, which promotes an unforeseen mechanism of hub domain stacking, may be involved in the observed reduction in CaMKIIα kinase activity. Altogether, this sheds new light on allosteric regulation of CaMKIIα activity via the hub domain.
Mining unique cysteine synthetases and computational study on thoroughly eliminating feedback inhibition through tunnel engineering
Authors: Xu Shuai , Li Zong‐Lin , Li Zhi‐Min , Liu Hong‐Lai 
Published: September 2024

AbstractL‐cysteine is an essential component in pharmaceutical and agricultural industries, and synthetic biology has made strides in developing new metabolic pathways for its production, particularly in archaea with unique O‐phosphoserine sulfhydrylases (OPSS) as key enzymes. In this study, we employed database mining to identify a highly catalytic activity OPSS from Acetobacterium sp. (AsOPSS). However, it was observed that the enzymatic activity of AsOPSS suffered significant feedback inhibition from the product L‐cysteine, exhibiting an IC50 value of merely 1.2 mM. A semi‐rational design combined with tunnel analysis strategy was conducted to engineer AsOPSS. The best variant, AsOPSSA218R was achieved, totally eliminating product inhibition without sacrificing catalytic efficiency. Molecular docking and molecular dynamic simulations indicated that the binding conformation of AsOPSSA218R with L‐cys was altered, leading to a reduced affinity between L‐cysteine and the active pocket. Tunnel analysis revealed that the AsOPSSA218R variant reshaped the landscape of the tunnel, resulting in the construction of a new tunnel. Furthermore, random acceleration molecular dynamics simulation and umbrella sampling simulation demonstrated that the novel tunnel improved the suitability for product release and effectively separated the interference between the product release and substrate binding processes. Finally, more than 45 mM of L‐cysteine was produced in vitro within 2 h using the AsOPSSA218R variant. Our findings emphasize the potential for relieving feedback inhibition by artificially generating new product release channels, while also laying an enzymatic foundation for efficient L‐cysteine production.
Development of artificial photosystems based on designed proteins for mechanistic insights into photosynthesis
Authors: Serrano Gonzalo Pérez , Echavarría Claudia F. , Mejias Sara H. 
Published: September 2024

AbstractThis review aims to provide an overview of the progress in protein‐based artificial photosystem design and their potential to uncover the underlying principles governing light‐harvesting in photosynthesis. While significant advances have been made in this area, a gap persists in reviewing these advances. This review provides a perspective of the field, pinpointing knowledge gaps and unresolved challenges that warrant further inquiry. In particular, it delves into the key considerations when designing photosystems based on the chromophore and protein scaffold characteristics, presents the established strategies for artificial photosystems engineering with their advantages and disadvantages, and underscores the recent breakthroughs in understanding the molecular mechanisms governing light‐harvesting, charge separation, and the role of the protein motions in the chromophore's excited state relaxation. By disseminating this knowledge, this article provides a foundational resource for defining the field of bio‐hybrid photosystems and aims to inspire the continued exploration of artificial photosystems using protein design.
The novel herbicide icafolin‐methyl is a plant‐specific inhibitor of tubulin polymerization
Authors: Haaf Klaus‐Bernhard , Peters Olaf , Laber Bernd , Lange Gudrun , Gatzweiler Elmar , Geibel Sven , Passon Daniel , Endler Anne , Lange Sylvia , Kahlau Sabine , Eroschenko Tatjana , Waldraff Petra , Lümmen Peter 
Published: September 2024

AbstractBACKGROUNDWithout controlling weeds, it is estimated that about one third of global crop yields would be lost. Herbicides remain the most effective solution for weed control, but they face multiple challenges, such as the emergence and growth of resistant weed populations. Consequently, there is an urgent need for either herbicides with new modes of action or at least novel chemistries within established modes of action, with outstanding efficacy but without showing cross‐resistance to the herbicides present in the prospective markets.RESULTSIcafolin‐methyl is a novel herbicide with a unique biological profile. It is hydrolyzed in planta to the carboxylic acid icafolin. After post‐emergence application icafolin‐methyl and icafolin both show high efficacy against the most relevant competitive weeds in cold and warm season cropping systems at low application rates, including resistant black‐grass and rye‐grass biotypes. Biochemical and genetic evidence is provided that icafolin‐methyl and icafolin inhibit plant tubulin polymerization probably by binding to ß‐tubulins.CONCLUSIONIcafolin‐methyl is a novel non‐selective herbicide with an established mode of action, but with a superior potency and spectrum, specifically after foliar application. This makes icafolin‐methyl fundamentally different from existing tubulin polymerization inhibiting herbicides. It complements the farmers weed control toolbox, particularly with respect to resistance management. © 2024 Society of Chemical Industry.
Pretreatment and fermentation of lignocellulose from oil palm fronds as a potential source of fibre for ruminant feed: a review
Authors: Kusmiati Rita , Syaputri Yolani , Abun  , Safitri Ratu 
Published: September 2024

AbstractOil palm fronds are plantation waste widely available in large quantities and have great potential as a source of ruminant feed due to their high fibre content. However, the lignocellulose content can inhibit feed digestion. This review examines methods that can reduce the lignocellulose content and improve the nutritional quality of palm fronds. The lignin content of palm fronds ranges from 17% to 20%, while the maximum lignin content in ruminant feed is 7%. Processing processes such as pretreatment are needed to reduce the lignocellulose content. Pretreatment can be done physically, chemically, biologically or in combination with other methods. Physical pretreatment aims to reduce the size of lignocellulose, chemical pretreatment seeks to break the crystallinity structure of lignocellulose with chemical solutions such as acids or alkalis, and biological pretreatment degrades the structure of lignocellulose with the help of enzymes produced by microbes. The protein content of palm fronds also does not meet the feed standard, which is only 5%, while according to Indonesian national standards, ruminant feed, especially cattle, must have a minimum protein content of 14%. Therefore, it is necessary to improve the nutritional quality of palm fronds through fermentation methods. The selection of the right microbes is the main factor in the success of increasing nutrition. The SSF fermentation method is frequently used in feed manufacturing. By synthesizing the current knowledge, this review also highlights the challenges of the pretreatment process as well as solutions that include prospects in the research of palm fronds as ruminant feed, which in turn can contribute to the increased utilization of lignocellulosic waste as animal feed.
Formulation challenges associated with microbial biofertilizers in sustainable agriculture and paths forward
Authors: Fadiji Ayomide Emmanuel , Xiong Chao , Egidi Eleonora , Singh Brajesh K. 
Published: September 2024

AbstractSustainable increase in agriculture productivity is confronted by over‐reliance and over‐use of synthetic chemical fertilizers. With a market projection of $5.02 billion by 2030, biofertilizers are gaining momentum as a supplement and, in some cases, as an alternative to chemical fertilizers. Biofertilizers can improve the nutritional supply to the plant and simultaneously can improve soil health, reduce greenhouse emissions, and hence directly contribute towards environmental sustainability. Plant growth‐promoting microbes (PGPMs) are particularly receiving significant attention as biofertilizers. They are widely known for their ability to improve plant growth via increasing nutrient availability and use efficiency. However, except for a few successful cases, the commercialization of PGPM‐based inoculants is still limited, mainly due to lack of field efficacy and consistency. Lack of effective formulation technologies that keep microbial inoculants viable during storage, transport and field application is considered one of the key factors that drive inconsistent efficacy of microbial biofertilizers. In this review, we identify current challenges associated with the application and formulation of microbial inoculants. We propose future paths, including advancement in formulation technologies that are potentially efficient, eco‐friendly and cost‐effective. We argue that to enhance the global adoption of biofertilizers, new innovations based on transdisciplinary approaches are indispensable. The emerging framework should encompass a robust quality control system at all stages. Additionally, the active partnership between the academic and industry stakeholders will pave the way for enhanced global adoption of microbial fertilizers.
Design, Synthesis and Evaluation of Photophysical and Biological Properties of Tetrafluoroacridine
Authors: Kumar Naveen , Yadav Dibya , Indari Omkar , Varshney Nidhi , Singh Amrendra K. , Jha Hem C. , Mukhopadhyay Suman , Misra Shilpi 
Published: September 2024

Abstract1,4,5,8‐Tetrafluoroacridine was successfully synthesized from 1,4,5,8‐tetrafluoroacridone through transfer hydrogenation using an in‐house ruthenium pincer catalyst followed by in situ dehydration. The synthetic protocol involves the copper‐catalyzed coupling of 2‐amino‐3,6‐difluorobenzoic acid 1 and 1,4‐difluoro‐2‐iodobenzene 2 to obtain 3 followed by cyclization using polyphosphoric acid to get the 1,4,5,8‐tetrafluoroacridone 4. Common synthetic strategies for converting 4 to the 1,4,5,8‐tetrafluoroacridine 5 were unsuccessful and the transfer hydrogenation approach proved to be most fruitful. 1,4,5,8‐Tetrafluoroacridone 4 can be N‐methylated to give 9. The investigation into the photophysical properties of 4, 5, and 9 revealed that the average photoluminescence (PL) lifetime of the acridine derivatives was longer in the aqueous medium than in ethanol and methanol, indicating the influence of the solvent environment on the excited‐state dynamics. To assess their potential therapeutic applications, the cytotoxic activity of these compounds was evaluated against AGS and IMR‐32 cells, and compound 9 showed significant activity. The addition of methyl group to the acridone was found helpful in enhancing the solubility and biological activity.