bluuebunny/crossref_metadata_2025_split huggingface dataset:
Psychological outcomes of dementia risk estimation in MCI patients: Results from the PreDADQoL project
Authors: Rostamzadeh Ayda , Kalthegener Franziska , Schwegler Carolin , Romotzky Vanessa , Gil‐Navarro Silvia , Rosende‐Roca Maitée , Ortega Gemma , Canabate Pilar , Moreno Mariola , Maier Franziska , Zeyen Philip , Schild Ann‐Katrin , Meiberth Dix , Sannemann Lena , Bohr Lara , Schmitz‐Luhn Björn , Boada Mercè , Woopen Christiane , Jessen Frank 
Published: October 2024

AbstractINTRODUCTIONUnderstanding the impact of biomarker‐based dementia risk estimation in people with mild cognitive impairment (MCI) and their care partners is critical for patient care.METHODSMCI patients and study partners were counseled on Alzheimer's disease (AD) biomarker and dementia risk was disclosed. Data on mood, quality of life (QoL), and satisfaction with life (SwL) were obtained 1 week and 3 months after disclosure.RESULTSSeventy‐five dyads were enrolled, and two‐thirds of the patients opted for biomarker testing. None of the participants experienced clinically relevant depression or anxiety after disclosure. All dyads reported moderate to high QoL and SwL throughout the study. Patients reported more subthreshold depressive symptoms 1 week and lower QoL and SwL 3 months after disclosure. In patients, depression (odds ratio [OR]: 0.76) and anxiety (OR: 0.81) were significant predictors for the decision against biomarker testing.DISCUSSIONNo major psychological harm is to be expected in MCI patients and care partners after dementia risk disclosure.TRIAL REGISTRATIONThis study is registered in the German clinical trials register (Deutsches Register Klinischer Studien, DRKS): http://www.drks.de/DRKS00011155, DRKS registration number: DRKS00011155, date of registration: 18.08.2017.Highlights
Patients with mild cognitive impairment (MCI) and study partners were counseled on Alzheimer's disease (AD) biomarker‐based dementia risk estimation.
About two‐thirds of patients opted for biomarker testing and received their dementia risk based on their AD biomarker status.
Patients who decided in favor or against CSF biomarker testing differed in psychological features.
We did not observe major psychological harm after the dementia risk disclosure.
Coping strategies were associated with better subsequent mood and well‐being in all participants.
Examination of plasma biomarkers of amyloid, tau, neurodegeneration, and neuroinflammation in former elite American football players
Authors: Miner Annalise E. , Groh Jenna R. , Tripodis Yorghos , Adler Charles H. , Balcer Laura J. , Bernick Charles , Zetterberg Henrik , Blennow Kaj , Peskind Elaine , Ashton Nicholas J. , Gaudet Charles E. , Martin Brett , Palmisano Joseph N. , Banks Sarah J. , Barr William B. , Wethe Jennifer V. , Cantu Robert C. , Dodick David W. , Katz Douglas I. , Mez Jesse , van Amerongen Suzan , Cummings Jeffrey L. , Shenton Martha E. , Reiman Eric M. , Stern Robert A. , Alosco Michael L. ,   for the DIAGNOSE CTE Research Project
Published: October 2024

AbstractINTRODUCTIONBlood‐based biomarkers offer a promising approach for the detection of neuropathologies from repetitive head impacts (RHI). We evaluated plasma biomarkers of amyloid, tau, neurodegeneration, and inflammation in former football players.METHODSThe sample included 180 former football players and 60 asymptomatic, unexposed male participants (aged 45–74). Plasma assays were conducted for beta‐amyloid (Aβ) 40, Aβ42, hyper‐phosphorylated tau (p‐tau) 181+231, total tau (t‐tau), neurofilament light (NfL), glial fibrillary acidic protein (GFAP), interleukin‐6 (IL‐6), Aβ42/p‐tau181 and Aβ42/Aβ40 ratios. We evaluated their ability to differentiate the groups and associations with RHI proxies and traumatic encephalopathy syndrome (TES).RESULTSP‐tau181 and p‐tau231(padj = 0.016) were higher and Aβ42/p‐tau181 was lower(padj = 0.004) in football players compared to controls. Discrimination accuracy for p‐tau was modest (area under the curve [AUC] = 0.742). Effects were not attributable to AD‐related pathology. Younger age of first exposure (AFE) correlated with higher NfL (padj = 0.03) and GFAP (padj = 0.033). Plasma GFAP was higher in TES‐chronic traumatic encephalopathy (TES‐CTE) Possible/Probable (padj = 0.008).DISCUSSIONPlasma p‐tau181 and p‐tau231, GFAP, and NfL may offer some usefulness for the characterization of RHI‐related neuropathologies.Highlights
Former football players had higher plasma p‐tau181 and p‐tau231 and lower Aβ42/ptau‐181 compared to asymptomatic, unexposed men.
Younger age of first exposure was associated with increased plasma NfL and GFAP in older but not younger participants.
Plasma GFAP was higher in participants with TES‐CTE possible/probable compared to TES‐CTE no/suggestive.
Pro‐Ictal EEG Scheduling Improves the Yield of Epilepsy Monitoring: Validating the Use of Multiday Seizure Cycles to Optimize Video‐EEG Timing
Authors: Naim‐Feil Jodie , Stirling Rachel E. , Karoly Philippa J. , Payne Daniel , Winterling Nicholas , Eden Dominique , Cook Mark J. , Grayden David B. , Maturana Matias , Freestone Dean R. , Nurse Ewan S. 
Published: October 2024

ObjectiveA significant challenge of video‐electroencephalography (vEEG) in epilepsy diagnosis is timing monitoring sessions to capture epileptiform activity. In this study, we introduce and validate “pro‐ictal EEG scheduling”, a method to schedule vEEG monitoring to coincide with periods of increased seizure likelihood as a low‐risk approach to enhance the diagnostic yield.MethodsA database of long‐term ambulatory vEEG monitoring sessions (n = 5,038) of adults and children was examined. Data from linked electronic seizure diaries were extracted (minimum 10 self‐reported events) to generate cycle‐based estimates of seizure risk. In adults, vEEG monitoring sessions coinciding with periods of estimated high‐risk were allocated to the high‐risk group (n = 305) and compared to remaining studies (baseline: n = 3,586). Test of proportions and risk‐ratios (RR) were applied to index differences in proportions and likelihood of capturing outcome measures (abnormal report, confirmed seizure, and diary event) during monitoring. The impact of clinical and demographic factors (age, sex, epilepsy‐type, and medication) was also explored.ResultsDuring vEEG monitoring, the high‐risk group was significantly more likely to have an abnormal vEEG report (190/305:62% vs 1,790/3,586:50% [%change = 12%], RR = 1.25, 95% confidence interval [CI] = [1.137–1.370], p < 0.001), present with a confirmed seizure (56/305:18% vs 424/3,586:11% [%change = 7%], RR = 1.63, 95% CI = [1.265–2.101], p < 0.001) and report an event (153/305:50% vs 1,267/3,586:35% (%change = 15%), RR = 1.420, 95% CI = [1.259:1.602], p < 0.001). Similar effects were observed across clinical and demographic features.InterpretationThis study provides the first large‐scale validation of pro‐ictal EEG scheduling in improving the yield of vEEG. This innovative approach offers a pragmatic and low‐risk strategy to enhance the diagnostic capabilities of vEEG monitoring, significantly impacting epilepsy management. ANN NEUROL 2024;96:1148–1159
Integrated Design of Homogeneous/Heterogeneous Copper Complex Catalysts to Enable Synergistic Effects on Sulfur and Lithium Evolution Reactions
Authors: Yang Qin , Wang Chensheng , Song Lixian , Zhang Yunfeng , Shen Zhaoyang , Cai Wenlong , Song Yingze 
Published: October 2024

AbstractFatal polysulfide shuttling, sluggish sulfur redox kinetics and detrimental lithium dendrites have curtailed the real discharge capacity, working lifespan and safety of lithium−sulfur (Li−S) batteries. Organic small molecule promotors as one type of emerging active catalysts can fulfil the management of the electrochemical species evolution behaviors. Herein, an integrated engineering is organized by synthesizing dual chlorine‐bridge enabled binuclear copper complex (Cu2(phen)2Cl2) and its derivative generated in electrolyte (Cu‐ETL) as the heterogeneous and homogeneous catalyst, respectively. The well‐designed Cu‐ETL with a optimized concentration of 0.25 wt% as a homogeneous enabler offers highly utilized Cu centers and the sufficient interface contact for guiding the Li2S nucleation/decomposition reactions. The Cu2(phen)2Cl2 loaded on carbon spheres as an interlayer (Cu‐INT) can break through the catalytic limitation resulting from the saturated concentration of Cu‐ETL and thus offers an extended manipulation effect. Benefiting from the synergistic effect, the Li−S battery shows stable cycling at 3 C upon 500 cycles with a capacity degradation rate as low as 0.029 % per cycle. Of specific note, an actual cell energy density of 372.1 Wh kg−1 is harvested by a 1.2 Ah‐level soft‐packaged pouch cell, implying a chance for requiring the demand of high‐energy batteries.
Bright Nanocomposites based on Quantum Dot‐Initiated Photocatalysis
Authors: Hu Zhuang , Gao Feng , Qin Haiyan , Cui Xin , Wang Linqin , Yang Wenxing , Lu Chunyuan , Zhang Biaobiao , Sun Licheng 
Published: October 2024

AbstractIntegrating quantum dots (QDs) into polymer matrix to form nanocomposites without compromising the QD photoluminescence (PL) is crucial to emerging QD light‐emitting and solar energy conversion fields. However, the most widely‐used bulk polymerization technique, where monomers serve as the QD solvent, usually leads to QD PL quenching caused by radical initiators. Here we demonstrate high‐brightness nanocomposites with near‐unity PL quantum yield (QY), through a novel QDs‐catalyzed (‐initiated) bulk polymerization without using any radical initiators. Different from previous reports where QDs were designed as photo‐sensitizers/catalysts (always with cocatalysts) and hence non‐emissive in catalytic conditions, our QDs combine high brightness with highly effective catalysis, a combination that was previously considered to be hardly possible. In our case, apart from emitting light (at a large probability), the photoexcited QDs act as ‘overall reaction’ catalysts by simultaneously employing photoexcited electrons and holes to produce active radicals without the need of any sacrificial agents. These active radicals, though with a small amount, are sufficient to initiate effective chain reaction‐dominated bulk polymerization, eliminating the requirement of extra radical initiators. This study provides new insights for understanding and development of QDs for energy applications.
The utilization of Industry 4.0 technologies to enhance the circular economy through the engagement of stakeholders in Brazilian food technology companies
Authors: da Silva Tiago Hennemann Hilario , Sehnem Simone 
Published: October 2024

AbstractSustainable business models tend to have greater potential for the transition to the circular economy. The present study aims to investigate how Brazilian startups in the food segment foodtech are integrating Industry 4.0 technologies to boost the circular economy, emphasizing the importance of stakeholder engagement in the process. The choice of this unit of analysis is associated with companies that were born recently, with a high chance of having sustainable and circular business models. The research involved eight food technology startups, using questionnaires, interviews, and content analysis to collect data on circular supply chain practices, Industry 4.0 technologies adopted, and the level of stakeholder engagement. The results indicate that foodtech startups are progressively incorporating technologies such as automation, big data, biotechnology, and the Internet of Things, to promote circular economy initiatives. The active participation of stakeholders has been fundamental, contributing to innovation and efficiency in processes. However, the complete transition to the circular economy and the full adoption of Industry 4.0 technologies are challenged by obstacles, including high costs and regulatory barriers. The study found that startups play a crucial role in this transition, due to their agility and capacity for innovation, which can serve as an example for larger companies. Collaboration between businesses, regulators, academic institutions, and society is essential to overcome these challenges and facilitate effective transformation. This work offers valuable practical insights for foodtech startups looking to adopt circular practices, highlighting technologies, and practices that can result in economic and environmental benefits. Startups emerge not only as adopters of new technologies but also as agents of change in industrial practices, shaping a more sustainable future for the food sector. It is recommended that future research explore the impact of regulatory policies and incentives on accelerating the adoption of these technologies by startups, in addition to evaluating the long‐term economic viability of these technological innovations in promoting a more circular economy.
α‐Glucosidase Inhibiting Chromene Derivatives from Ageratum conyzoides L. Essential Oil Extracted via NADES‐Assisted Hydrodistillation
Authors: Parmar Kusum , Aggarwal Gaurav , Sharma Upendra 
Published: October 2024

AbstractThis work employed a green approach utilizing natural deep eutectic solvent (NADES)‐assisted hydrodistillation for EO extraction from the aerial part of Ageratum conyzoides. Out of seven deep eutectic combinations used, glycerol‐lactic acid (GLY:LA) (1 : 1) mixture significantly enhanced the yield from 0.78 mg/g (water as extraction media) to 1.00 mg/g. GC and GC‐MS analysis revealed that EOs mainly contain (E)‐β‐caryophyllene (15.2–25.3 %), (E)‐β‐farnesene (2.7–8.2 %), and notably, precocene‐I (8.2–18.0 %) and precocene‐II (31.8–51.4 %), which varied significantly across different extraction media. Further column chromatography‐based purification of EO led to the isolation of two known chromene derivatives precocene‐I (1) and precocene‐II (2). Precocene‐I exhibited potent anti‐diabetic activity (IC50 0.26 mg/mL) compared to the standard drug acarbose. Among the EO samples, USK−N7, which had the highest percentage of precocene‐I, showed the highest activity. The present study demonstrated the potential use of this weed plant as an anti‐diabetic agent.
Phytotoxic and Cytogenetic Assessment of Glycerol Triazole Derivatives in Model Plants and Weeds
Authors: de Assis Alves Thayllon , de Assis Alves Thammyres , Gazolla Poliana Aparecida Rodrigues , Lima Ângela Maria Almeida , Belizario de Oliveira Mariana , Aniceto da Silva Danilo , Tebaldi de Queiroz Vagner , Ricardo Teixeira Róbson , Vidal Costa Adilson , Miranda Praça‐Fontes Milene 
Published: October 2024

AbstractWeed invasion represents a challenge for farmers, who typically manage it with herbicides. However, this approach raises concerns about environmental and human health, as well as increasing resistance in these plants with continued use. Therefore, exploring alternative methods, such as heterocyclic compounds, triazoles, is essential due to their biological and environmental relevance. This study aimed to evaluate the effects of twelve 1,2,3‐triazoles on the germination and early development of Lactuca sativa, Bidens pilosa, and Lolium multiflorum, as well as their impact on cell division in the cells of L. sativa. Triazole derivatives 4a, 4b, 4c, 4g, 4h, 4i, 4k, and 4l exhibited phytotoxicity, showing varying levels of inhibition in germination, germination speed index, and root growth. Chlorinated compounds were the most detrimental to lettuce development. B. pilosa was notably affected by compounds 4h, 4i, 4k, and 4l, while L. multiflorum responded most to triazoles 4c and 4l, with effectiveness comparable to that of the herbicide glyphosate. All derivatives, except 4l, exhibited aneugenic mechanisms of action, and 4a, 4b, 4c, 4e, 4f, and 4g showed clastogenic effects. This study demonstrated the potential of triazoles as effective agents against weed growth, with mechanisms that warrant further investigation for agricultural applications.
A New Isoflavone Xylopyranoside and Isoflavone Derivatives from the Roots of Ochna integerrima and Their DPPH Radical Scavenging Activity
Authors: Wongpakham Sirilug , Samsee Thanatcha , Wongpakam Komgrit , Promden Worrawat , Thima Kanthinich , Khulmanee Tachin , Patrapuvich Rapatbhorn , Sangdee Aphidech , Kijjoa Anake , Seephonkai Prapairat 
Published: October 2024

AbstractOchna integerrima (Louri) Merr. is one of the two species of the genus Ochna (family Ochnaceae) found in Thailand. Its bark is used in traditional Thai medicine to treat digestive disorders. Phytochemical investigation of the crude MeOH extract of the root woods of O. integerrima furnished an unreported isoflavone glycoside, gerontoisoflavone A‐4′‐O‐β‐D‐xylopyranoside (1), together with the previously described irisolone methyl ether (2), iriskumaonin methyl ether (3), iriskumaonin (4), gerontoisoflavone A (5), isoprunetin (6), a flavone glycoside, vitexin (7), and a chromone derivative, lophilone A (8). The structure of 1 was elucidated by 1D and 2D NMR spectral analysis as well as HRMS data. Compounds 1–7 were evaluated for their 2,2‐diphenyl‐1‐picrylhydrazil radical (DPPH⋅) scavenging activity and antiplasmodial activity against a chloroquine‐ and pyrimethamine‐resistant strain of Plasmodium falciparum (K1). Compounds 5 exhibited strongest scavenging activity, with a scavenging concentration at 50 % (SC50) of 137.7 μM, while 4 and 6 displayed weak scavenging activity, with SC50 values of 4 and 5 times higher than that of 5. None of the tested compounds showed antiplasmodial activity against P. falciparum (K1) at a concentration of 5 μg/mL.
Computational Exploration of Limonin as a Potential Inhibitor of DapB in Klebsiella pneumoniae
Authors: Mahur Pragati , Sharma Abhishek , Singh Amit Kumar , Muthukumaran Jayaraman , Jain Monika 
Published: October 2024

AbstractKlebsiella pneumoniae has emerged as a significant multidrug‐resistant pathogen, classified as a critical priority by the World Health Organization. The rising rates of antibiotic resistance have led to increased therapeutic failures, diminishing the effectiveness of existing antibiotics. Consequently, there is an urgent need for alternative treatments to effectively inhibit the growth of K. pneumoniae and mitigate associated diseases. Phytochemicals have demonstrated potential advantages over traditional antibiotics, prompting their exploration as innovative therapeutic agents. This study aimed to identify phytochemicals that can inhibit dapB, a vital enzyme in the lysine biosynthesis pathway of K. pneumoniae, which is essential for protein synthesis and the cross‐linking of the bacterial peptidoglycan cell wall. We screened 17,934 phytochemicals based on Lipinski's Rule of Five, along with their Absorption, Distribution, Metabolism, Excretion properties and toxicological parameters. Next, we conducted triplicate docking studies against dapB to evaluate the library further. The most promising molecules then underwent 100 ns Molecular Dynamics simulations in triplicate, followed by MM/PBSA based binding free energy calculations to identify potential dapB inhibitors. This in silico analysis highlighted limonin as a promising inhibitor of dapB in K. pneumoniae. Further experimental validation is crucial to enhance limonin's potential as a novel therapeutic agent against K. pneumoniae‐associated diseases.
Covalent Labeling of Matrix Metalloproteases with Affinity‐Based Probes Containing Tuned Reactive N‐Acyl‐N‐Alkyl Sulfonamide Cleavable Linkers
Authors: Devel Laurent , Malgorn Carole , Tohon Regis‐William , Launay Marie , Patiniotis Konstantinos , Sejalon‐Cipolla Mylene , Beau Fabrice , Thai Robert , Bruyat Pierrick , Bonino Annabelle , Bregant Sarah , Subra Gilles , Cantel Sonia , Georgiadis Dimitris 
Published: October 2024

AbstractOriginal covalent probes with an N‐acyl‐N‐alkyl sulfonamide cleavable linker were developed to target a broad set of human Matrix Metalloproteases (MMPs). The electrophilicity of this cleavable linker was modulated to improve the selectivity of the probes as well as reduce their unspecific reactivity in complex biological matrices. We first demonstrated that targeting the S3 subsite of MMPs enables access to broad‐spectrum affinity‐based probes that exclusively react with the active version of these proteases. The probes were further assessed in proteomes of varying complexity, where human MMP‐13 was artificially introduced at known concentration and the resulting labeled MMP was imaged by in‐gel fluorescence imaging. We showed that the less reactive probe was still able to covalently modify MMP‐13 while exhibiting reduced off‐target unspecific reactivity. This study clearly demonstrated the importance of finely controlling the reactivity of the NASA warhead to improve the selectivity of covalent probes in complex biological systems.
Protein–Polymer Conjugates: Advancing Enzyme Catalysis in Synthetic Chemistry
Authors: Ouyang Jingping , Li Jian , Wu Changzhu 
Published: October 2024

AbstractEnzyme catalysis is prominent in chemical synthesis due to its specificity, selectivity, and efficiency. However, enzymes often face challenges, such as inactivation and inhibition in practical applications, and they are also limited by narrow reaction scopes in complex catalytic scenarios like cascade reactions. These persistent issues have driven the development of chemical modifications of enzymes, aiming to enhance enzyme catalysis with external chemical entities. Polymers are particularly notable among these entities for their functional moieties and protective effects on biomolecules, enhancing enzyme properties, and even creating new‐to‐nature catalysis by harnessing catalytic promiscuity. This concept aims to introduce the field of protein–polymer conjugates for diverse emerging applications across emulsion biocatalysis, artificial enzymes, and supramolecular enzyme catalysis.
Organolanthanide‐Mediated Tandem Insertion/Cyclisation of Alkynylbenzonitriles with Secondary Amines Elucidated Through a Computational Approach
Authors: Tobisch Sven 
Published: October 2024

AbstractA detailed mechanistic probe of the organolanthanide‐mediated tandem insertion/annulation of alkynylbenzonitriles with secondary amines by an archetypical homoleptic lanthanum silylamide starting material is presented. An in‐depth computational scrutiny of alternatively plausible pathways for relevant productive steps and also performance‐degrading pathways identified the pathway likely traversed in productive catalysis. It entails the transformation of the starting material into various of silylamide/amide compounds, of which the lanthanum bis‐silylamide/amide is thermodynamically prevalent, capable of promoting the process. Benzonitrile insertion is irreversible to readily afford the lanthanum amidinate, which can adopt various easily interconvertible ligation pattern. The rather rapid protonolysis of the La─N imine linkage would lead to undesirable aminoamidines, but its net endergonicity renders this performance‐degrading avenue nonviable. Instead, the lanthanum amidinate is converted back into catalytically competent lanthanum bis‐silylamide/amide with the release of the observed aminoisoindole product. This transformation favors a stepwise insertative cyclisation/La─C alkenyl protonolysis sequence over an otherwise kinetically noncompetitive proton‐triggered stepwise N─C/C─H bond forming process. The operative insertative pathway comprises turnover‐limiting and irreversible insertion of the alkyne C≡C tether into the La─N amidinate linkage followed by La─C alkenyl aminolysis at the intervening lanthanum alkenylisoindinyl intermediate. The DFT‐assessed barrier for turnover‐limiting insertative N─C ring closure favorably compares with reported performance data.