bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis and Organo‐Catalyzed Ring‐Opening of a Six‐Membered Heterocycle Combining Phosphonate and Ester Functions
Authors: Ungpittagul Thasanaporn , Virachotikul Arnut , Monot Julien , Martín‐Vaca Blanca , Bourissou Didier 
Published: January 2024

AbstractThe synthesis of a difunctional P‐heterocycle combining phosphonate and ester moieties in a six‐membered ring is described. Using trifluoromethane sulfonic acid HOTf as organocatalyst, ring‐opening with neopentyl alcohol readily occurs with complete selectivity for O‐acyl bond cleavage. In turn, ring‐opening polymerization proceeds in a controlled manner when an excess of P‐heterocycle is used. Copolymerization with ϵ‐caprolactone is also reported and semi‐batch conditions are shown to enable regular incorporation of the phosphonate moieties along the polymer chains.
Selective Synthesis of Tetrahydro Oxepines by Cu‐Catalyzed Condensations of Diazomalonates and gem‐Dialkyl Vinyl Oxetanes
Authors: Montagnon Claire , Pertschi Romain , Besnard Céline , Lacour Jérôme 
Published: January 2024

AbstractThanks to an unprecedented gem‐dialkyl substituent effect, an efficient synthesis of tetrahydro oxepine derivatives is achieved by ring expansion of vinyl oxetanes using acceptor(−acceptor) diazo reagents under Cu(II)‐catalysis. A large scope of 2‐vinyl oxetanes and either diazo mono or diester reagents give access to a series of functionalized oxepines.
Understanding and Tuning Magnetism in Layered Ising‐Type Antiferromagnet FePSe3 for Potential 2D Magnet
Authors: Basnet Rabindra , Patel Taksh , Wang Jian , Upreti Dinesh , Chhetri Santosh Karki , Acharya Gokul , Nabi Md Rafique Un , Sakon Josh , Hu Jin 
Published: January 2024

AbstractRecent developments in 2D magnetic materials have motivated the search for new van der Waals magnetic materials, especially Ising‐type magnets with strong magnetic anisotropy. Fe‐based MPX3 (M = transition metal, X = chalcogen) compounds such as FePS3 and FePSe3 both exhibit an Ising‐type magnetic order, but FePSe3 receives much less attention compared to FePS3. This work focuses on establishing the strategy to engineer magnetic anisotropy and exchange interactions in this less‐explored compound. Through chalcogen and metal substitutions, the magnetic anisotropy is found to be immune against S substitution for Se whereas tunable only with heavy Mn substitution for Fe. In particular, Mn substitution leads to a continuous rotation of magnetic moments from the out‐of‐plane direction toward the in‐plane. Furthermore, the magnetic ordering temperature displays non‐monotonic doping dependence for both chalcogen and metal substitutions but due to different mechanisms. These findings provide deeper insight into the Ising‐type magnetism in this important van der Waals material, shedding light on the study of other Ising‐type magnetic systems as well as discovering novel 2D magnets for potential applications in spintronics.
DNA nanostructures prevent the formation of and convert toxic amyloid proteospecies into cytocompatible and biodegradable spherical complexes
Authors: Kihal Nadjib , Nguyen Phuong Trang , Nazemi Ali , Greschner Andrea A. , Gauthier Marc A. , Bourgault Steve 
Published: January 2024

AbstractThe deposition of insoluble proteinaceous aggregates in the form of amyloid fibrils within the extracellular space of tissues is associated with numerous diseases. The development of molecular approaches to arrest amyloid formation and prevent cellular degeneration remains very challenging due to the complexity of the process of protein aggregation, which encompasses an infinite array of conformations and quaternary structures. Polyanionic biopolymers, such as glycosaminoglycans and RNAs, have been shown to modulate the self‐assembly of amyloidogenic polypeptides and to reduce the toxicity induced by the formation of oligomeric and/or pre‐fibrillar proteospecies. This study evaluates the effects of double‐stranded DNA (dsDNA) nanostructures (1D, 2D, and 3D) on amyloid self‐assembly, fibril disaggregation, and the cytotoxicity associated with amyloidogenesis. Using the islet amyloid polypeptide (IAPP) whose pancreatic accumulation is the hallmark of type 2 diabetes, it was observed that dsDNA nanostructures inhibit amyloid formation by inducing the formation of spherical complexes in which the peptide adopts a random coil conformation. Interestingly, the DNA nanostructures showed a persistent ability to disassemble enzymatically and thermodynamically stable amyloid fibrils into nanoscale DNA/IAPP entities that are fully compatible with β‐pancreatic cells and are biodegradable by proteolysis. Notably, dsDNA nanostructures avidly trapped highly toxic soluble oligomeric species in complete cell culture media and converted them into non‐toxic binary complexes. Overall, these results expose the potent modulatory effects of dsDNA on amyloidogenic pathways, and these DNA nanoscaffolds could be used as a source of inspiration for the design of molecules to fight amyloid‐related disorders.
Predictors and outcomes of fluctuations in the clinical dementia rating scale
Authors: Wilks Hannah , Benzinger Tammie L. S. , Schindler Suzanne E. , Cruchaga Carlos , Morris John C. , Hassenstab Jason 
Published: January 2024

AbstractINTRODUCTIONReversion, or change in cognitive status from impaired to normal, is common in aging and dementia studies, but it remains unclear what factors predict reversion.METHODSWe investigated whether reverters, defined as those who revert from a Clinical Dementia Rating® (CDR®) scale score of 0.5 to CDR 0) differed on cognition and biomarkers from unimpaired participants (always CDR 0) and impaired participants (converted to CDR > 0 and had no reversion events). Models evaluated relationships between biomarker status, apolipoprotein E (APOE) ε4 status, and cognition. Additional models described predictors of reversion and predictors of eventual progression to CDR > 0.RESULTSCDR reversion was associated with younger age, better cognition, and negative amyloid biomarker status. Reverters that eventually progressed to CDR > 0 had more visits, were older, and were more likely to have an APOE ε4 allele.DISCUSSIONCDR reversion occupies a transitional phase in disease progression between cognitive normality and overt dementia. Reverters may be ideal candidates for secondary prevention Alzheimer's disease (AD) trials.Highlights
Reverters had more longitudinal cognitive decline than those who remained cognitively normal.
Predictors of reversion: younger age, better cognition, and negative amyloid biomarker status.
Reverting from CDR 0.5 to 0 is a risk factor for future conversion to CDR > 0.
CDR reversion may be a transitional phase in Alzheimer's Disease progression.
CDR reverters may be ideal for Alzheimer's disease secondary prevention trials.
Scalable plasma and digital cognitive markers for diagnosis and prognosis of Alzheimer's disease and related dementias
Authors: Tsoy Elena , La Joie Renaud , VandeVrede Lawren , Rojas Julio C. , Yballa Claire , Chan Brandon , Lago Argentina Lario , Rodriguez Anne‐Marie , Goode Collette A. , Erlhoff Sabrina J. , Tee Boon Lead , Windon Charles , Lanata Serggio , Kramer Joel H. , Miller Bruce L. , Dilworth‐Anderson Peggye , Boxer Adam L. , Rabinovici Gil D. , Possin Katherine L. 
Published: January 2024

AbstractINTRODUCTIONWith emergence of disease‐modifying therapies, efficient diagnostic pathways are critically needed to identify treatment candidates, evaluate disease severity, and support prognosis. A combination of plasma biomarkers and brief digital cognitive assessments could provide a scalable alternative to current diagnostic work‐up.METHODSWe examined the accuracy of plasma biomarkers and a 10‐minute supervised tablet‐based cognitive assessment (Tablet‐based Cognitive Assessment Tool Brain Health Assessment [TabCAT‐BHA]) in predicting amyloid β positive (Aβ+) status on positron emission tomography (PET), concurrent disease severity, and functional decline in 309 older adults with subjective cognitive impairment (n = 49), mild cognitive impairment (n = 159), and dementia (n = 101).RESULTSCombination of plasma pTau181, Aβ42/40, neurofilament light (NfL), and TabCAT‐BHA was optimal for predicting Aβ‐PET positivity (AUC = 0.962). Whereas NfL and TabCAT‐BHA optimally predicted concurrent disease severity, combining these with pTau181 and glial fibrillary acidic protein was most accurate in predicting functional decline.DISCUSSIONCombinations of plasma and digital cognitive markers show promise for scalable diagnosis and prognosis of ADRD.Highlights
The need for cost‐efficient diagnostic and prognostic markers of AD is urgent.
Plasma and digital cognitive markers provide complementary diagnostic contributions.
Combination of these markers holds promise for scalable diagnosis and prognosis.
Future validation in community cohorts is needed to inform clinical implementation.
Enhancing Plasmonic Hot Electron Energy on Ag Surface by Amine Coordination
Authors: Wang Ying , Li Yonglong , Yang Xian , Wang Teng , Du Xiaomeng , Zhu Aonan , Xie Weiwei , Xie Wei 
Published: January 2024

AbstractPlasmonic catalysis has emerged as a promising approach to solar‐chemical energy conversion. Notably, hot carriers play a decisive role in plasmonic catalysis since only when their energy matches with the LUMO or HOMO energy of the reactant molecule, can the reaction be activated. However, the hot carrier energy depends on the intrinsic physicochemical properties of the plasmonic metal substrate and the interaction with incident light. Tuning the hot carrier energy is of great significance for plasmonic catalysis but remains challenging. Here, we demonstrate that the energy of hot electrons can be significantly elevated to an unprecedented level through the coordination of amines on Ag surface. The bonding of amines and Ag reduces the work function of nanoparticles, leading to the increase of hot electron energy by 0.4 eV. This enhancement of energy promotes the cleavage of C−X (X=Cl, F) bonds upon excitation by visible light. This study provides new insights for promoting plasmonic charge transfer and enhancing the photocatalytic performance of plasmon‐mediated systems.
Pulmonary aspiration of gastric contents in two patients taking semaglutide for weight loss
Authors: Avraham S. A. , Hossein J. , Somri F. , Hawash N. , Hochman O. 
Published: January 2024

SummarySemaglutide is a new weight loss treatment that has received substantial media attention in recent years. Anaesthetists must be aware of a potentially dangerous side effect of the drug: decreased gastric emptying. This is caused by effects on gastric smooth muscle, mediated by the vagal afferent nerves. This is especially relevant in the peri‐operative setting where pulmonary aspiration of gastric contents is a recognised complication. Here, we report two cases of peri‐operative regurgitation of gastric contents in patients taking semaglutide. A patient taking semaglutide may have a full stomach despite compliance with routine pre‐operative fasting guidelines. We consider how to manage patients receiving glucagon‐like peptide‐1 agonist therapy in the peri‐operative period, including identifying those at high risk of regurgitation. Precautions such as rapid sequence induction and tracheal intubation can be used, but gastric ultrasound may also be useful in the pre‐operative environment to help identify patients at high risk of aspiration.
Thiosemicarbazone ligands based transition metal complexes: A multifaceted investigation of antituberculosis, anti‐inflammatory, antibacterial, antifungal activities, and molecular docking, density functional theory, molecular electrostatic potential, absorption, distribution, metabolism, excretion, and toxicity studies
Authors: Kumar Binesh , Devi Jai , Dubey Amit , Tufail Nasir , Khurana Daksh 
Published: January 2024

Infectious diseases have held a prominent place in the history of humanity, shaping societies, influencing medical advances, and affecting the lives of individuals on a global scale and are caused by a variety of pathogens that lead to a wide range of illnesses. Among this diverse group of ailments, tuberculosis (TB), inflammatory conditions, and various bacterial and fungal diseases stand out as major challenges that have long plagued humanity. Thus, the aim of this research is delve a significant combatting agent against TB, inflammation, bacterial and fungal deformities. To explore the above facts and to examine the therapeutic potential, the previously synthesized thiosemicarbazones (1–2) and their Co (II), Ni (II), Cu (II), Zn (II) complexes (3–10) of benzaldehydes and 4‐(4‐ethylphenyl)‐3‐thiosemicarbazide were proposed for in vitro investigation by microplate Alamar Blue, bovine serum albumin, and serial dilution methods. The compound (10) demonstrates almost double effectiveness in controlling TB dysfunction (minimum inhibitory concentration [MIC] value 0.006 ± 0.001 μmol/mL), surpassing streptomycin, whereas (6) and (9) have comparable TB inhibition efficacy to streptomycin. The compound (10) also has the highest potency for inflammation (6.75 ± 0.09 μM), bacterial (0.0066 μmol/mL), and fungal (0.0066 μmol/mL) ailments among the tested compounds with comparable inhibition abilities to their respective standard drugs. Moreover, molecular docking (targeting the PDB ID 6H53 and 1CX2 proteins), density functional theory (DFT), molecular electrostatic potential (MESP), and absorption, distribution, metabolism, excretion, and toxicity (ADMET) evaluations were performed against the highly efficient ligand (2) and its complexes (7–10) to validate the in vitro results. In this endeavor, our aim is to actively participate in the continuous initiatives aimed at fighting infectious diseases and enhancing global health and overall well‐being.
Interfacial Activity of Janus Particle: Unity of Molecular Surfactant and Homogeneous Particle
Authors: Liu Haipeng , Long Yingchun , Liang Fuxin 
Published: January 2024

AbstractJanus particles with different compositions and properties segmented to different regions on the surface of one objector provide more opportunities for interfacial engineering. As a novel interfacial active material, Janus particles integrate the amphiphilic properties of molecular surfactants and the Pickering effect of homogeneous particles. In this research, the outstanding properties of Janus particles on various interfaces are examined from both theoretical and practical perspectives, and the advantages of Janus particles over molecular surfactants and homogeneous particle surfactants are analyzed. We believe that Janus particles are ideal tools for interface regulation and functionalization in the future.
Modeling and control of drug assignment for pharmaceutical cabinets using discrete event systems approaches
Authors: Soumatia Maroua , Amari Saïd , Hachemi Khalid 
Published: January 2024

AbstractThe public health sector, considered to be vital, especially in this pandemic crisis of COVID‐19, requires automation and control of drug distribution in pharmacies commonly called: “Dispensing.” In this paper, we address the medication assignment problem for automated dispensing cabinets (ADCs). First, we use a network of conflicting timed event graphs (CTEGs), a class of timed Petri nets with shared resources, to model pharmaceutical cabinets. Second, we develop a new method for controlling CTEGs under mutual exclusion constraints (MECs) to solve the problem of drug assignment, using a control approach based on Min‐Plus algebra. Finally, a case study of assigning drugs is given to illustrate the proposed methodology and show the efficiency of the developed control laws.
Finite‐time robust simultaneous stabilization control for two nonlinear singular time‐delay systems
Authors: Li Qi , Yang Renming , Wang Yongliang , Liu Feng 
Published: January 2024

AbstractIn this paper, the finite‐time simultaneous stabilization problem of two nonlinear singular time‐delay Hamiltonian systems is investigated. Firstly, the two general nonlinear singular time‐delay Hamiltonian systems are transformed into their Hamiltonian differential‐algebraic forms by equivalent transformation, respectively, they are then converted to two strictly dissipative Hamiltonian forms via the state feedback method, and two strictly dissipative Hamiltonian systems are extended into a Hamiltonian one. Based on which, a suitable Hamiltonian function is constructed to analyze the finite‐time simultaneous stability and finite‐time robust simultaneous stabilization problem. Finally, an illustrative example is given to show the effectiveness of the results obtained. It should be pointed out that since there does not exist a finite‐time stability criterion on the nonlinear singular delay system, we adopt a new double compound asymptotic method.
Contactless face video based vital signs detection framework for continuous health monitoring using feature optimization and hybrid neural network
Authors: Anil Jalaja Anju , Kavitha Maruthai 
Published: January 2024

AbstractContinuous monitoring of vital signs such as respiration and heart rate is essential to detect and predict conditions that may affect the patient's well‐being. To detect these vital signs most medical systems use contact sensors. They are not feasible for long term monitoring and are not repeatable. Vital signs using facial video‐noncontact monitoring are becoming increasingly important. Researchers in the last few years although considerable progress has been made, challenging datasets absence timing of assessment process and the technology still has some limitations such as time consuming nature and lack of computer portability. To solve those problems, we propose a contactless video based vital signs detection framework for continuous health monitoring using feature optimization and hybrid neural network. In the proposed technique, modified war strategy optimization algorithm is proposed to segment the face portion from the input video frames. Then, we utilize the known data acquisition models to extract vital signs from the segmented face portions are heart rate, blood pressure, respiratory rate and oxygen saturation. An improved neural network structure (Lifting Net) is further used to achieve the adaptive extraction of deep hidden features for specific signs, for realizing the high precision of human health monitoring. The Hughes effect or dimensionality issue affects detection accuracy in sign classification when there are fewer training instances relative to the number of spectral features. The problem can be overcome through feature optimization here Northern goshawk optimization algorithm is used to select optimal best features which reduces the data dimensionality issue. Furthermore, hybrid deep ensemble reinforcement learning classifier is proposed for the human vital sign detection and classification which ensures the early detection of patient abnormality. Finally, we validate our framework using benchmark video datasets such as TokyoTechrPPG, PURE and COHFACE. To proves the effectiveness of proposed technique using simulation results and comparative analysis.
In Vitro Determination of Nitric Oxide Synthase Inhibition, Antioxidant Capacity and Phenolic Content of Various Natural Products (Bee and Herbal Products)
Authors: Yaylaci Karahalil Fatma , Bakirhan Fatma , Kara Yakup 
Published: January 2024

AbstractIt is obvious that the oxidation process is an undeniable fact and when it comes to aging, one of the first solutions that come to mind is natural products. When it comes to natural products, both plants and bee products play an important, almost combative role against oxidation. For this purpose, natural products of both plant and animal origin were considered together in our study: Linden, green tea, aronia, wild grapes, myrtle, blueberries and basil, honey, pollen and propolis. Total phenolic content values of the extracts ranged between 49.28 and 3859.06 mg gallic acid equivalent/100 g, and propolis, green tea, chestnut flower and aronia samples were found to have the highest values. When looking at the NOS inhibition potential, it was determined that propolis, pollen and aronia samples had the highest percentage inhibition values of 98.11, 92.29, 83.44, respectively. Antioxidant activities of methanolic extracts were investigated using iron(III) reducing/antioxidant capacity (FRAP), 2,2‐Diphenyl‐1‐picrylhydrazyl (DPPH) radical scavenging activity test and NOS inhibition tests. The phenolic composition of methanolic extracts was tested using the RP‐HPLC‐UV (high‐performance liquid chromatographic method with ultraviolet) method with 19 phenolic standards.
Therapeutic Potential of Benzimidazoisoquinoline Derivatives in Alleviating Murine Hepatic Fibrosis
Authors: Mekala Sowmya , Sukumar Genji , Chawla Shilpa , Geesala Ramasatyaveni , Prashanth Jupally , Reddy B. Jagan Mohan , Mainkar Prathama , Das Amitava 
Published: January 2024

AbstractShort Title: Benzimidazoisoquinoline derivatives as potent antifibrotics Hepatic fibrosis is a pathological condition of liver disease with an increasing number of cases worldwide. Therapeutic strategies are warranted to target the activated hepatic stellate cells (HSCs), the collagen‐producing cells, an effective strategy for controlling the disease progression. Benzimidazoisoquinoline derivatives were synthesized as hybrid molecules by the combination of benzimidazoles and isoquinolines to evaluate their anti‐fibrotic potential using an in‐vitro and in‐vivo model of hepatic fibrosis. A small library of benzimidazoisoquinoline derivatives (1–17 and 18–21) was synthesized from 2‐aryl benzimidazole and acetylene functionalities through C−H and N−H activation. Compounds (10 and its recently synthesized derivatives 18–21) depicted a significant decrease in PDGF‐BB and/or TGFβ‐induced proliferation (1.7–1.9 ‐fold), migration (3.5–5.0 ‐fold), and fibrosis‐related gene expressions in HSCs. These compounds could revert the hepatic damage caused by chronic exposure to hepatotoxicants, ethanol, and/or carbon tetrachloride as evident from the histological, biochemical, and molecular analysis. Anti‐fibrotic effect of the compounds was supported by the decrease in the malondialdehyde level, collagen deposition, and gene expression levels of fibrosis‐related markers such as α‐SMA, COL1α1, PDGFRβ, and TGFRIIβ in the preclinical models of hepatic fibrosis. In conclusion, the synthesized benzimidazoisoquinoline derivatives (compounds 18, 19, 20, and 21) possess anti‐fibrotic therapeutic potential against liver fibrosis.
Synthesis, Thermal Stability and Antifungal Evaluation of Two New Pyrrole Esters
Authors: Gao Ziting , Fan Wenpeng , Zhang Ruiting , Li Pengyu , Yang Xiaopeng , Gao Xue , Ji Xiaoming , Wei Yuewei , Lai Miao 
Published: January 2024

AbstractTo develop new chemicals that are stable at high temperatures with biological activity, a pyrrole intermediate was firstly synthesized using glucosamine hydrochloride as raw materials through cyclization and oxidation. Further, two novel pyrrole ester derivatives were prepared via Steglich esterification from pyrrole intermediate with vanillin and ethyl maltol, respectively. Nuclear magnetic resonance (1H‐NMR, 13C NMR), infrared spectroscopy (IR) and high resolution mass spectrometry (HRMS) were used to confirm the target compounds. Thermal behavior of the compounds was investigated by thermogravimetry (TG), differential scanning calorimeter (DSC) and the pyrolysis‐gas chromatography/mass spectrometry (Py‐GC/MS) methods. The plausible pyrolytic mechanism was proposed. Additionally, their biological activities against the pathogens Fusarium graminearum, Fusarium oxysporum, Fusarium moniliforme, Phytophthora nicotianae, and Rhizoctonia solani were assessed. These target compounds showed outstanding antifungal activities and the highest inhibitor rates of 62.50 % and 68.75 % against R. solani with EC50 values of 0.0296 and 0.0200 mg mL−1, respectively. SDHI protein sequence was molecularly docked to identify the binding mechanisms in the active pocket and examine the interactions between both the molecules and the SDHI protein.