bluuebunny/crossref_metadata_2025_split huggingface dataset:
2‐Phenylbenzothiazoles featuring heteroaryl sulfonamide end‐capping substructures as developable mPGES‐1 inhibitors
Authors: Yalçın Tansu , Jordan Paul M. , Olğaç Abdurrahman , Dahlke Philipp , Maz Tuğçe Gür , Banoglu Erden , Werz Oliver , Çalışkan Burcu 
Published: January 2025

AbstractThe inhibition of human microsomal prostaglandin E2 (PGE2) synthase‐1 (mPGES‐1) is a promising therapeutic modality for developing next‐generation anti‐inflammatory medications. In this study, we present novel 2‐phenylbenzothiazole derivatives featuring heteroaryl sulfonamide end‐capping substructures as inhibitors of human mPGES‐1, with IC50 values in the range of 0.72–3.40 µM in a cell‐free assay of PGE2 formation. Notably, compound 21, featuring a quinoxalinedione ring in its sulfonamide segment, effectively suppresses PGE2 biosynthesis at a low micromolar concentration (IC50 = 0.72 µM) with exceptional selectivity against cyclooxygenase (COX)‐1, COX‐2, 5‐lipoxygenase (5‐LOX), and FLAP. This compound offers a novel chemical scaffold for developing safer and more effective anti‐inflammatory agents.
Humic Acid Glazed Magnetite Material for the Adsorptive Desulfurization of Model Fuel
Authors: Nilavu M. Christina , Krishna Kumar A. Santhana , Aggarwal Himanshu , Rajesh N. 
Published: January 2025

AbstractImpact of climate change that stems from gaseous emissions require sustainable materials to eliminate sulfur. This study involves the modification of humic acid with magnetite nanoparticles (Fe₃O₄ NPs) by a microwave‐assisted synthesis of an absorbent with reasonable pore volume and diameter for elimination of thiophenic compounds from fuel. The magnetic nano adsorbent designated Fe3O4@HA was characterized using advanced spectroscopic techniques, while their structure and morphology were analyzed through DLS, XPS, XRD, FT‐IR, TGA, FESEM‐EDX, VSM, and BET‐N2 techniques. These findings indicated that the synthesized magnetic nano adsorbent (Fe3O4@HA) has appropriate oxygen functionalities with a specific surface area of 335 m2 g−1 and a mesoporous structure with a pore diameter of 9 nm. The adsorption capacity for sulfur was determined to be 62.73 mg g−1. The kinetic and isotherm models, coupled with thermodynamic characteristics, confirmed that the adsorption of sulfur onto the adsorbent was spontaneous, exothermic, and followed pseudo‐first‐order kinetics. The adsorbent material demonstrated reusability for sulfur adsorption for up to six cycles. The economic and environmental advantages of the preparation process provide humic acid modified with magnetite nanoparticles (Fe₃O₄ NPs) as an interesting candidate for real‐world applications.
Novel Cationic Bolaamphiphiles for Protein and DNA Binding, Gene Delivery, and Antimicrobial Applications
Authors: Mondal Pabitra , Roy Sadhana , Patra Dipanwita , Bose Dasgupta Somdeb , Dey Joykrishna 
Published: January 2025

AbstractIn this study, we have designed and developed a cationic bolaform C12‐(2,3‐dihydroxy‐N, N‐dimethyl‐N‐(2‐ureidoethyl)propan‐1‐aminium chloride)2 (C12(DDUPAC)2) that is derived from biocompatible molecules. The bolaform C12(DDUPAC)2 has hydroxyl (OH) functionality at both the cationic head groups. The impact of head group structure on the self‐assembly and effectiveness of gene transfection and antimicrobial activity was investigated and compared with that of the hydrochloride salt C12‐(N, N‐dimethyl‐N‐(2‐ureidoethan‐1‐aminium chloride)2 (C12(DUAC)2) of its precursor molecule. The formation of spherical as well as rod‐like self‐assembled structures was found to occur above a relatively low critical aggregation concentration (CAC) by the bolaforms. The results of calorimetric measurements demonstrated thermodynamically favorable aggregation in water. Interaction studies of the cationic bolaforms with the calf thymus DNA revealed stronger binding of C12(DDUPAC)2 in comparison to C12(DUAC)2, which explained higher in vitro gene transfection efficiency of C12(DDUPAC)2 than C12(DUAC)2. Both bolaforms interact weakly with the bovine serum albumin protein. MTT‐based in vitro cytotoxicity assay was performed and both bolaforms were found to have marginal cytotoxicity. Further, both bolaforms exhibit advantageous antibacterial activity against E. coli and potent antifungal activity against Fusarium oxysporum at high dosages.
Natural Kaurane‐class of Diterpenoid Alkaloids: Structure, Distribution, and Bioactivities
Authors: Yin Tianpeng , Yan Min , Zheng Jiaqi , Cai Le 
Published: January 2025

ABSTRACTKaurane‐class diterpenoid alkaloids (DAs), an important group of C20‐DAs, include mainly veatchine‐, napelline‐, anopterine‐ and tricalysiamide‐type DAs and several types of DAs with novel skeletons discovered in recent years. To date, approximately 81 compounds belonging to this class of DAs have been isolated from plants in five families and seven genera. Among them, Aconitum is the most important source of this class of DAs. Kaurane‐class DAs exhibit noteworthy biological activities, including antitumor, antiarrhythmic, anti‐inflammatory, and analgesic effects. In particular, anopterine‐type DAs have shown significant antitumor activity in vitro, and napelline‐type DAs have powerful antiarrhythmic effects and great potential in the development of such drugs. In general, the diverse structures and biological activities of Kaurane‐class DAs highlight the great potential of these types of compounds for drug discovery, especially antitumor and antiarrhythmic drugs, and is a topic worthy of further in‐depth study.
A Case Report of a Pregnancy Complicated by Sigmoid Volvulus in the Extreme Preterm Gestational Age
Authors: Kian Naghmeh , Moridi Atefeh 
Published: January 2025

ABSTRACTIntestinal obstruction is a rare but life‐threatening incidence in pregnancy. Diagnosis can be challenging for clinicians as the symptoms might be approached as other common obstetric complications. Performing radiological and abdominal surgery are also areas of great concern in this field; since radiologic studies inevitably expose the fetus to radiation and the treatment options mostly involve surgery that is worrisome during gestation. The maternal and fetal outcomes are dependent on timely diagnosis and management; as intestinal perforation, necrosis and peritonitis can happen and lead to fetal or maternal mortality or morbidity. In this study, we present a challenging case of a 36‐year‐old pregnant woman with severe abdominal pain and distension that emergently underwent surgery after the diagnosis of sigmoid volvulus without the gestation being discontinued. To our knowledge, our study presents one of the rarest cases of intestinal obstruction during pregnancy that was managed surgically without pregnancy termination. Further we will discuss intestinal obstruction in pregnancy based the current literature.
Association of Slender Patent Ductus Arteriosus Combined With PFO Related to the Transient Ischemic Attack: A Rare Case Report
Authors: Wen Zhi , Tian Mingwu , Huang Zhiqiang , Wu Changxue , Wei Xin 
Published: January 2025

ABSTRACTIt was a rare case of a 52‐year‐old female with a slender PDA combined with PFO related to a transient ischemic attack that did not improve with aspirin and/or clopidogrel treatment. We closed the PDA using the ADO‐II occluder and closed the PFO with the occluder, resulting in symptom resolution.
Liquid‐Mediated Treatment for Silanol Defects Healing and Sn Coordination Optimization in Sn‐Beta for Improved Catalytic Activity
Authors: Li Boqing , Simancas Raquel , Nagashima Hiroki , Iyoki Kenta , Elangovan Shanmugam P. , Chokkalingam Anand , Yamagishi Takayuki , Inagaki Satoshi , Okubo Tatsuya , Wakihara Toru 
Published: January 2025

AbstractThe use of Sn‐beta zeolite as a heterogeneous catalyst for biomass conversion has garnered substantial attention over recent decades. This study investigates the effects of postsynthetic liquid‐mediated treatments on Sn‐beta zeolites, emphasizing the healing of silanol defects and optimization of Sn coordination to enhance catalytic performance. The treatments successfully reduced silanol concentrations, resulting in increased hydrophobicity, as confirmed by 29Si MAS NMR and water vapor adsorption measurements. Further characterization using UV–vis spectroscopy and dynamic nuclear polarization (DNP)‐enhanced 119Sn NMR spectroscopy demonstrated effective framework rearrangement and optimization of Sn coordination. Consequently, the treated samples exhibited significantly improved catalytic activity, with the top‐performing sample achieving a glucose conversion of 66% and a fructose selectivity of 71%, leading to a fructose yield of 47%. This study highlights framework rearrangement and silicate species migration as effective strategies for tailoring metal‐containing zeolite catalysts.
Hydride Rebound: A Frustrated Lewis Pair (FLP)‐Type Cooperative Mechanism for H2 Activation by a Potassium Aluminyl Compound
Authors: Byrne Keelan M. , Hicks Jamie , Griffin Liam P. , Aldridge Simon , Krämer Tobias 
Published: January 2025

AbstractCombining experiment and theory, the mechanisms of H2 activation by the potassium‐bridged aluminyl dimer K2[Al(NON)]2 (NON=4,5‐bis(2,6‐diisopropylanilido)‐2,7‐di‐tertbutyl‐9,9‐dimethylxanthene) and its monomeric K+‐sequestered counterpart have been investigated. These systems show diverging reactivity towards the activation of dihydrogen, with the dimeric species undergoing formal oxidative addition of H2 at each Al centre under ambient conditions, and the monomer proving to be inert to dihydrogen addition. Noting that this K+ dependence is inconsistent with classical models of single‐centre reactivity for carbene‐like Al(I) species, we rationalize these observations instead by a cooperative frustrated Lewis pair (FLP)‐type mechanism (for the dimer) in which the aluminium centre acts as the Lewis base and the K+ centres as Lewis acids. In contrast to previous theoretical work on this precise system by Schaefer and co‐workers, the potassium ions are shown to play explicit roles in stabilizing a nascent 2‐bridging hydride, formed by heterolytic H−H bond cleavage (with accompanying protonation of the aluminium‐centred lone pair). K‐to‐Al hydride “rebound” into the vacant aluminium‐centred p‐orbital then completes the net addition of H2 via sequential H+/H− transfer. The experimentally determined kinetic isotope effect (kH/kD=2.6) reflects a high degree of bond activation in the transition state (as predicted quantum chemically).
A Meta‐Analysis on the Efficacy of Noninvasive Positive Pressure Ventilation Combined With Pressure Support Ventilation in Treating Chronic Heart Failure
Authors: Zhang Xiaohong , Dong Ye , Diao Dongliang , Li Ming 
Published: January 2025

ABSTRACTObjectiveTo evaluate the clinical efficacy and safety of noninvasive positive pressure ventilation combined with pressure support ventilation (NPPV‐PSV) in the treatment of chronic heart failure (CHF) through a meta‐analysis.MethodsA systematic search was conducted using PubMed, Embase, Web of Science, Cochrane Library, CNKI and Wanfang databases to find randomized controlled trials and cohort studies on NPPV‐PSV treatment for CHF. The period of search was set from inception until 2024. Eligible studies were included in a systematic review and meta‐analysis.ResultsA total of 8 studies with 568 patients were included in this meta‐analysis. The meta‐analysis revealed that compared with conventional treatment, NPPV‐PSV treatment had significant advantages in several aspects: clinical efficacy rate (total effect Z = 5.10, OR = 3.12, 95% confidence interval (CI) [2.01, 4.83], p = 0.000), heart rate (HR) (total effect Z = 16.26, MD = −10.50, 95% CI [−11.76, −9.23], p = 0.000), respiratory rate (RR) (total effect Z = 16.50, MD = −6.44, 95% CI [−7.20, −5.67], p = 0.000) and oxygen saturation (total effect Z = 12.40, MD = 0.09, 95% CI [0.08, 0.11], p = 0.000).ConclusionNoninvasive positive pressure ventilation combined with PSV treatment significantly improves clinical symptoms, reduces HR and RR and increases oxygen saturation in patients with CHF, showing superior effects compared with conventional treatment.
Prognostic Value of Frailty in Patients With Takotsubo Cardiomyopathy
Authors: Diaz‐Arocutipa Carlos , Hernandez Adrian V. 
Published: January 2025

ABSTRACTBackgroundThere is scarce data on the prognostic value of frailty in patients with Takotsubo cardiomyopathy (TCM). This study aimed to assess the association between frailty and in‐hospital outcomes in patients with TCM.MethodsAdult admissions with TCM were included using the 2016−2019 National Inpatient Sample database. The primary outcome was in‐hospital mortality and secondary outcomes included cardiogenic shock, in‐hospital cardiac arrest, stroke/transient ischemic attack (TIA), length of hospital stay, and total charges. Frailty was assessed using the hospital frailty risk score (HFRS), and admissions were divided into two groups: low risk and intermediate/high risk of frailty. Logistic regression was used to estimate odds ratios (OR) with their 95% confidence intervals (CI).ResultsA total of 32 360 patients were included; the median age was 67 (58−76) years and 90% were female. The median HFRS was 2.6 (1.1−5.3). In the adjusted models, in‐hospital mortality was significantly higher in the intermediate/high risk of frailty group (OR 3.60, 95% CI 2.16−6.02) compared to the low‐risk group. Similarly, admissions with intermediate/high risk of frailty had a significantly higher risk of cardiogenic shock (OR 3.66, 95% CI 2.77−4.80), in‐hospital cardiac arrest (OR 2.57, 95% CI 1.55−4.24), and stroke/TIA (OR 5.68, 95% CI 3.51−9.20). There was a significantly higher hospital charges and length of hospital stay in the intermediate/high‐risk group. In the restricted cubic spline regression models, the frailty score was nonlinearly associated with all outcomes.ConclusionsOur results suggest that frailty is useful as a prognostic factor for in‐hospital events in patients with TCM.
Trends in Mortality Due to Cardiovascular Diseases Among Patients With Parkinson's Disease in the United States: A Retrospective Analysis
Authors: Akhtar Muzamil , Farooqi Hanzala Ahmed , Nabi Rayyan , Abbasi Sabahat Ul Ain Munir , Picker Sarah MacKenzie , Ahmed Raheel 
Published: January 2025

ABSTRACTBackgroundParkinson disease (PD) and cardiovascular diseases (CVD) present significant health burdens, particularly among older adults. Patients with PD have an elevated risk of CVD‐related mortality. Analyzing mortality trends in this population may help guide focused interventions.MethodsMortality data were extracted from the CDC WONDER database, using ICD‐10 code G20 for PD and I00‐I99 for CVD. Age‐adjusted mortality rates (AAMR) per 100,000 were calculated and trends were examined across variables including gender, year, race, and urbanization, place of death, region, and state. Annual percentage change (APC) with 95% confidence intervals (CI) was computed using Joinpoint regression.ResultsA total of 138 151 CVD‐related deaths were reported among individuals with PD. The AAMR decreased from 23.5 in 1999 to 12.7 in 2020, with a notable decline between 1999 and 2014 (APC: −5.13; 95% CI, −5.44 to −4.86), followed by a modest increase from 2014 to 2020 (APC: 1.37; 95% CI, 0.16–3.05). Males exhibited higher AAMRs compared to females (Male AAMR: 22.6 vs. Female AAMR: 10.4). Non‐Hispanic (NH) Whites had the highest AAMR (16.1), followed by Hispanics (11.2), NH Asians (10.2), and NH Blacks (9.7). Nonmetropolitan areas showed a higher AAMR (16.3) compared to metropolitan areas (14.9). State‐level analysis indicated Nebraska with the highest AAMR (21.4), while Georgia recorded the lowest (9.9).ConclusionsCVD‐related mortality in PD patients has declined overall, though rates rose slightly from 2014 to 2020. Gender, racial, and geographic disparities highlight the need for targeted strategies to reduce cardiovascular risks in this population.
Ising Models for Solving the N‐Queens Puzzle Based on the Domain‐Wall Vectors
Authors: Tsukiyama Shunsuke , Nakano Koji , Ito Yasuaki , Kato Takumi , Kawamata Yuya 
Published: January 2025

ABSTRACTAn Ising model is a mathematical model defined by an objective function comprising a quadratic formula of multiple spin variables, each taking values of either or . The task of determining a spin value assignment to these variables that minimizes the resulting value of an Ising model is a challenging optimization problem. Recently, quantum annealers, consisting of qubit cells interconnected according to principles of quantum mechanics, have emerged as a solution for tackling such problems. Ising models characterized by fewer quadratic terms are preferable as they reduce the resource requirements of quantum annealers. Additionally, it is advantageous for the absolute values of coefficients associated with linear and quadratic terms to be small to facilitate the discovery of good solutions, given the inherent limitations in the resolution of quantum annealers. The primary contribution of this article lies in presenting Ising models tailored for solving the ‐Queens puzzle. The conventional Ising model for this puzzle involves quadratic terms, with the maximum absolute value of coefficients being . Our novel Ising model significantly reduces the number of quadratic terms to only , with a maximum absolute coefficient of 6. Furthermore, we provide embedding results for a quantum annealer D‐Wave Advantage utilizing a Pegasus graph . We succeeded in embedding our novel Ising model for up to the 21‐Queens puzzle, while the conventional Ising model can be embedded only for up to the 14‐Queens puzzle.
Kinetic Separation of Butane Isomers Using a Formate Metal‐Organic Framework
Authors: Liu Yi‐Peng , Li Jing‐Hong , Chen Zi‐Nan , Xue Wei , Zhou Hao‐Long , Lin Rui‐Biao , Chen Xiao‐Ming 
Published: January 2025

Abstractn‐butane (n‐C4H10) and isobutane (i‐C4H10) are important raw materials in chemical industry. The separation of the two hydrocarbon isomers via distillation is challenging and energy‐consuming. Herein we report the adsorption behavior of a microporous cobalt formate framework [Co3(HCOO)6] for potential kinetic separation of butane isomers. Under ambient condition, [Co3(HCOO)6] shows near adsorption capacity for n‐C4H10 (1.77 mmol g−1) and i‐C4H10 (1.36 mmol g−1) with different adsorption kinetics. Study on the adsorption kinetics for butane indicates that the smaller isomer is adsorbed at a higher diffusion rate, resulting in a high kinetic selectivity of 193 for n‐C4H10/i‐C4H10 separation. Analyses of adsorption kinetics and breakthrough experiment have validated the separation potential of [Co3(HCOO)6] for butane purification.
Micelle Assisted Multi‐Step Energy Relay in a Blend of Fluorophores as a Potential Light Harvesting System
Authors: Ahanger Firdaus Ahmad , Manhas Ayaz Ahmad , Tak Umar Nabi , Gousia  , Sidiq Saima , Rashid Showkat , Lone Mohd Sajid , Dar Aijaz Ahmad 
Published: January 2025

AbstractWe report a pH‐responsive system comprising three pH responsive fluorophores, 7‐Hydroxy coumarin (7HC), Fluorescein (Flu), and Rhodamine B (RhB) wherein an efficient two‐step Förster Resonance Energy Transfer (FRET) process is facilitated. Upon excitation of 7HC, energy is sequentially transferred from 7HC (primary donor) to Flu (primary acceptor) and then to RhB (secondary acceptor). The FRET processes were studied at pH 7 and 12 in the presence of surfactants: cationic Tetradecyltrimethylammonium bromide (TTAB), anionic Sodium Dodecyl Sulfate (SDS), and neutral polyoxyethylene[4] lauryl ether (Brij 30). Differences in FRET efficiencies across surfactant media were interpreted by analyzing the solubilization sites of the fluorophores using UV‐Visible and fluorescence spectroscopy. The pH‐dependence of the FRET acted as an ON‐OFF switch, showing higher efficiency in alkaline media. Among the surfactant systems, the two‐step FRET operated most efficiently in alkaline TTAB micelles, with efficiencies reaching up to 50 % for 7HC to Flu (FRET‐1), 30 % for Flu to RhB (FRET‐2), and 23 % for the overall transfer. At a donor‐to‐acceptor ratio of 1000/80/80, energy transfer efficiencies touched 74 % for FRET‐1 and 84 % for FRET‐2. This highlights TTAB micelles as promising scaffolds for efficient multi‐step FRET‐based artificial light‐harvesting systems.
A Deep Q‐Learning Approach for an Efficient Resource Management in Vehicle‐to‐Everything Slicing Environment
Authors: Nawfel Saidi Anas , Lehsaini Mohamed 
Published: January 2025

ABSTRACTIn the context of 5G vehicle‐to‐everything (V2X) communications, network slicing has been presented as a prominent solution to enable the coexistence of different V2X use cases within the same infrastructure. Among the main challenges in V2X network slicing is proposing an appropriate resource management approach that allows resources to be used efficiently while protecting the isolation between slices. One of the benchmarking resource management approaches is the static allocation that provides a full isolation between the slices. This static allocation has serious limitations when dealing with dynamic scenarios, particularly when some slices are overloaded. This paper proposes a deep Q‐learning approach to readjust static resource allocation by enabling an opportunistic sharing mechanism in case there is an overloaded slice in the system. More specifically, the main idea of our proposal is to extract an appropriate amount of resources from each available slice within the same infrastructure when receiving rejected connection requests from overloaded slices, while taking into account the isolation aspect of the slicing environment. Simulation results showed better performance in terms of maximizing the use of resources, reducing the probability of new calls being blocked and the probability of handover dropping in the system, while maintaining high isolation compared with other solutions.
Exploring the Predictive Role of 11‐Oxyandrogens in Diagnosing Polycystic Ovary Syndrome
Authors: Mody Armaiti Parvez , Lodish Maya Beth , Auchus Richard Joseph , Turcu Adina F. , Jiang Fei , Huddleston Heather Gibson 
Published: January 2025

ABSTRACTContextHyperandrogenism is a hallmark of polycystic ovary syndrome (PCOS), yet the androgen(s) responsible remain ambiguous. Recent studies have suggested that 11‐oxygenated C19 steroids (11‐oxyandrogens), specifically 11‐ketotestosterone, may be a good marker for hyperandrogenism in PCOS.ObjectiveTo investigate the utility of 11‐oxyandrogens to differentiate women with and without PCOS relative to classical androgens.Design SettingCase–control study performed at a PCOS clinic and research center in an academic setting.Patients114 women with PCOS and 78 healthy controls.InterventionsUsing the PCOS Tissue Bank, serum samples and data from 114 women registered from 2013 to 2017 between the ages of 18–40 years, were obtained and classified using Rotterdam PCOS criteria. Data were compared to 78 healthy women of similar age, with serum samples obtained between 2017 and 2020. 11‐oxyandrogens and sex steroids were measured using mass spectrometry, and their associations to Rotterdam PCOS, age, and BMI were assessed.Main Outcome Measures11‐oxyandrogens and sex steroids.ResultsTotal testosterone, androstenedione, and four 11‐oxyandrogens were significantly elevated in women with PCOS compared to age matched controls, controlling for age and BMI (p < 0.01 for all). When considered together, the four 11‐oxyandrogens were more predictive of PCOS compared to testosterone and androstenedione. When all androgens were considered individually, 11‐ketoandrostenedione was the most predictive of PCOS. Of the six androgens studied, 11‐ketotestosterone was the only androgen that demonstrated a weak association with hirsutism score (r = 0.17; p = 0.07) within the PCOS group.Conclusion11‐oxyandrogens were statistically higher in women with PCOS and may serve as better predictors of PCOS than testosterone and androstenedione.