bluuebunny/crossref_metadata_2025_split huggingface dataset:
Proton Conduction via Water and Ammonia Coordinated Metal Cationic Species in MOF and MHOF Platforms
Authors: Pramanik Bikram , Sahoo Rupam , Yoshida Yukihiro , Manna Arun K. , Kitagawa Hiroshi , Das Madhab C. 
Published: September 2024

AbstractAlthough metal‐organic frameworks (MOFs) and metalo hydrogen‐bonded organic frameworks (MHOFs) are designed as promising solid‐state proton conductors by incorporating various protonic species intrinsically or extrinsically, design and development of such materials by employing the concept of proton conduction through coordinated polar protic solvent is largely unexplored. Herein, we have constructed two proton‐conducting materials having different solvent coordinated metal cationic species: In‐H2O‐MOF, ({[In(H2O)6][In3(Pzdc)6] ⋅ 15H2O}n; H2Pzdc: pyrazine‐2,3‐dicarboxylic acid) with coordinated water molecules from hexaaquaindium cationic species, and MHOF‐4, ([{Co(NH3)6}2(2,6‐NDS)2(H2O)2]n; 2,6‐H2NDS: 2,6‐naphthalenedisulfonic acid) with coordinated ammonia from hexaammoniacobalt cationic species. Interestingly, higher proton conductivity was achieved for In‐H2O‐MOF (1.5×10−5 S cm−1) than MHOF‐4 (6.3×10−6 S cm−1) under the extreme conditions (80 °C and 95 % RH), which could be attributed to enhanced acidity of coordinated water molecules having much lower pKa value than that of coordinated ammonia. Greater charge polarization on hydrogen atoms of In3+‐coordinated water molecules than that of Co2+‐coordinated ammonia led to the high conductivity of In‐H2O‐MOF, as evident by quantum chemical studies. Such a comparative study on metal‐coordinated protic polar solvents in achieving proton conduction in crystalline solids is yet to be made.
Clinical benefit and fragility evaluation of systemic therapy trials for advanced soft tissue sarcoma
Authors: Braik Dina , Lemieux Christopher , Wilson Brooke E. , Salawu Abdulazeez , Abdul Razak Albiruni R. 
Published: September 2024

ABSTRACTBackgroundThe clinical benefit of systemic anticancer therapies can be unclear despite positive trials, and outcomes may not translate to real‐world practice. This study evaluated the benefit of soft tissue sarcoma (STS) treatments using the European Society of Medical Oncology Magnitude of Clinical Benefit Scale (MCBS) v1.1 and measured the robustness of STS trial results using Fragility Index (FI).MethodsDatabase searches for adult phase II or III trials in advanced STS (January 1998–December 2023) were performed. Therapies with trial outcomes that met the criteria for MCBS were scored 1–5 (≥4 represents substantial clinical benefit). For randomized clinical trials with positive time‐to‐event endpoints, the number of additional events that would render results nonsignificant, FI, was calculated and expressed as a proportion of the experimental arm size (fragility quotient [FQ]). Higher FI/FQ implies more robust results.ResultsAmong 194 trials, 19 (9.8%) were phase III. Most phase II trials (146/175; 83.4%) had single‐arm or non‐comparative design. Trials that were eligible for MCBS scoring (n = 78; 40.2%) evaluated 56 different agents/regimens. Median MCBS score was 2. Only three agents/regimens (all cytotoxic therapies) had an MCBS score ≥4. Among 47 randomized clinical trials, 16 (8 phase II; 8 phase III) trials had positive outcomes. Median FI was 7 (range, 2–52) and 10 trials (62.5%) had an FQ < 10%, with median of 7% (range, 1%–59%).ConclusionsMost systemic therapies in STS trials did not confer substantial clinical benefit per European Society of Medical Oncology‐MCBS. Additionally, positive randomized trials were often fragile. Novel STS therapy trials should use clinically meaningful endpoints and real‐world efficacy confirmation is essential, especially for less robust trials.
Self‐Templating Synthesis of Mesoporous Carbon Cathode Materials for High‐Performance Lithium‐Ion Capacitors
Authors: Liu Heqiang , Zhang Xiong , Li Chen , Zhao Shasha , An Yabin , Sun Xianzhong , Wang Kai , Ma Yanwei 
Published: September 2024

AbstractLithium‐ion capacitors (LICs) have attracted considerable interest because of their excellent power and energy densities. However, the development of LICs is limited by the low capacity of the cathode and the kinetics mismatch between the cathode and anode. In this work, mesoporous carbon materials (MCs) with uniform pore sizes were prepared using magnesium citrate as the raw material through a self‐templating method. During the carbonization process, MgO nanoparticles generated from magnesium citrate act as a template, resulting in a more orderly pore structure. The resultant MCs demonstrate a high specific surface area of 1673 m2 g−1 and an abundance of small mesopores, which significantly accelerated ion migration within the electrolyte and expedited the formation of electric double layers. Benefiting from these advantages, the MCs cathode demonstrates a high reversible specific capacity, excellent cycling stability, and rate performance. The assembled MCs‐based LIC provides a high energy density of 152.2 Wh kg−1 and a high power density of 14.3 kW kg−1. After 5000 cycles, a capacity retention rate of 80 % at the current density of 1 A g−1 is obtained. These results highlight the excellent potential of MCs as a cathode material for LICs.
Implementation of optimal routing in heterogeneous wireless sensor network with multi‐channel Media Access Control protocol using Enhanced Henry Gas Solubility Optimizer
Authors: Kumar D. Pravin , Kumar P. Ganesh 
Published: September 2024

SummaryThe majority of wireless sensor network (WSN) systems include multiple data traffic with different service requirements. Small batteries are used to supply energy to the sensor nodes. This research work explores a new optimal hybrid MAC protocol for heterogeneous WSN to carry out efficient routing. The major intention of the designed protocol is the incorporation of features of both IEEE 802.15.4 and Low‐Energy Adaptive Clustering Hierarchy (LEACH) to solve the challenges. The energy‐saving circuit is adopted by predetermining the cluster heads (CHs), whereas the usual nodes are powered by a battery. Thus, it is suggested to extend the lifespan of network operation, where the designed hybrid protocol is intended to transfer the essential activities to the elected cluster heads when reducing the activity of the nodes. Here, a new optimizer known as the Enhanced Henry Gas Solubility Optimization (EHGSO) algorithm is suggested for selecting the cluster heads and also for promoting the IEEE 802.15.4 protocol. This protocol is assisted to ensure performance regarding self‐healing, scalability, self‐reconfigurability, and energy efficiency. Thus, the performance evaluation is conducted in terms of various performance measures like throughput and energy consumption over the Adaptive Leach Protocol and multi‐channel MAC protocol with IEEE 802.15.4.
Synthesis and Reactivity of the Amino‐Functionalized β‐Diketiminate Ligand Stabilized Germylene and Stannylene
Authors: Sun Tianyi , Kong Cheng , Wu Linlin , Wang Hao 
Published: September 2024

AbstractAmino‐functionalized β‐diketiminate stabilized chlorogermylene 1 and chlorostannylene 2 have been prepared and structurally characterized. The reactions of 1 or 2 with KOtBu afforded the β‐diketiminate stabilized tert‐butoxygermylene 3 and tert‐butoxystannylene 4, respectively. On the other hand, the reaction of 2 with LiN(SiMe3)2 led to the isolation of the bis‐stannylene 5 containing a four‐membered Sn2N2 ring. All new compounds have been characterized by multiple NMR spectroscopy and single crystal X‐ray analysis.
Water–triglyceride interfaces limit permeability and diffusion of aroma molecules in butter
Authors: Koch Tobias Benedikt , Briesen Heiko 
Published: September 2024

AbstractInsight into the dynamics of aroma molecules in bulk phases and at water–triglyceride interfaces is crucial for elucidating the aroma release mechanisms in complex dairy products such as butter. This study employs classical, all‐atom molecular dynamics simulations with umbrella sampling to investigate the energetics and kinetics of key aroma‐active compounds, including diacetyl, ‐decalactone, and butyric acid, at interfaces of 1,3‐dipalmitoyl‐2‐oleoylglycerol (POP) in water. The chemical properties of aroma compounds, including polarity, hydrogen bonding, and van der Waals interactions, play a pivotal role in their interaction with interfacial molecules, resulting in unique profiles of the potential of mean force and diffusivity. In particular, ‐decalactone preferentially resides at the interface and accumulates in the triglyceride phase. Aroma permeability through the complexly organized water–triglyceride interface significantly decreases from ‐decalactone to butyric acid, with a less pronounced reduction for diacetyl. Surprisingly, this trend in aroma permeability at interfaces does not coincide with trends in aroma diffusion within both pure bulk phases. This discrepancy is attributed to local, heterogeneous molecular structuring at water–triglyceride interfaces, impeding the interfacial permeation processes and leading to local aroma confinement.Practical Application: Employing a water–POP interface as a case study, the methodology investigates aroma compound diffusion within bulk phases, delineating limitations in aroma permeability in dairy products with extended water–triglyceride interfaces. This is a substep in the aroma release process, contributing to the interpretation of perception studies by sensory panels in human sensory experiments and fostering a deeper understanding of the intricate dynamics inherent to individual compounds.
Merging New and Old Concepts: Tandem Oxidative Radical‐Polar Crossover Ritter Amidation via Multicomponent Photo‐ and Electrochemical Processes
Authors: Lepori Mattia , Dey Indrasish , Pratley Cassie , Barham Joshua P. 
Published: September 2024

AbstractNitrogen‐containing drug molecules and pharmaceuticals are ubiquitous, rendering the construction of C−N bonds a crucial target in methodology development. The Ritter reaction is a well‐established method for accessing C−N bonds by generating amide functionality through the reaction of carbocations and nitriles. Since its discovery back in 1948, the Ritter reaction has progressively advanced towards milder and more sustainable conditions for carbocation generation. In this regard, notable contributions have been made by means of single electron transfer (SET) chemistry. Nowadays, photo‐ and electrochemistry are established methods of choice for the generation of reactive radical intermediates and their subsequent oxidation via radical‐polar crossover (RPC) mechanism. We review recent examples of tandem RPC and Ritter‐type protocols, demonstrating how photo‐ and electrochemical energies have been effectively harvested to expand the precursor pool for the Ritter reaction as well as reimagining the process with novel mechanisms and additives.
Electrochemical Hydrogenation of N‐Heterocycles and Related Substrates: A Mini‐Review
Authors: Garcia‐Torres Esteban , Herbert David E. 
Published: September 2024

ABSTRACTCatalytic hydrogenation refers to the (often) metal‐mediated addition of dihydrogen (H2) equivalents to unsaturated compounds to form new element‐hydrogen bonds. This conceptually simple reaction is ubiquitous in the production of a vast number of essential chemicals. Despite a growing recognition of the importance of sustainability in manufacturing, the use of fossil‐derived hydrogen gas and precious metal catalysts in hydrogenation remains widespread. Electrochemical variants of these processes are an appealing alternative, especially those that can make use of sustainable Brønsted acids, more abundant electrode materials and renewable electricity. In this mini‐review, we give a selective overview of electrochemical hydrogenation methodologies for N‐heterocycles and some related substrates from the specific perspective of the synthetic chemistry made possible by this increasingly popular approach.
Semi‐implicit Lagrangian Voronoi approximation for the incompressible Navier–Stokes equations
Authors: Kincl Ondřej , Peshkov Ilya , Boscheri Walter 
Published: September 2024

AbstractWe introduce semi‐implicit Lagrangian Voronoi approximation (SILVA), a novel numerical method for the solution of the incompressible Euler and Navier–Stokes equations, which combines the efficiency of semi‐implicit time marching schemes with the robustness of time‐dependent Voronoi tessellations. In SILVA, the numerical solution is stored at particles, which move with the fluid velocity and also play the role of the generators of the computational mesh. The Voronoi mesh is rapidly regenerated at each time step, allowing large deformations with topology changes. As opposed to the reconnection‐based Arbitrary‐Lagrangian‐Eulerian schemes, we need no remapping stage. A semi‐implicit scheme is devised in the context of moving Voronoi meshes to project the velocity field onto a divergence‐free manifold. We validate SILVA by illustrative benchmarks, including viscous, inviscid, and multi‐phase flows. Compared to its closest competitor, the Incompressible Smoothed Particle Hydrodynamics method, SILVA offers a sparser stiffness matrix and facilitates the implementation of no‐slip and free‐slip boundary conditions.
Low‐Level BCR::ABL1 Transcript at Diagnosis in Childhood Leukemia: A 10‐Year Single Institution Study
Authors: Cain Lucy E. , Mirochnik Oksana , Stevens Michael M. , Kellie Stewart J. , Padhye Bhavna , Keogh Steven J. , Govender Dinisha , Ryan Jessica , Dalla‐Pozza Luciano , Bateman Caroline M. 
Published: September 2024

ABSTRACTIntroductionPhiladelphia chromosome‐positive (Ph+) acute lymphoblastic leukemia (ALL) is a high risk form of ALL associated with dismal outcomes in the pre‐tyrosine kinase inhibitor (TKI) era. Addition of a TKI to chemotherapy improves outcomes. Therefore, testing for the presence of the Philadelphia chromosome by at least two methods at the time of diagnosis is critical. Diagnostic testing may include karyotype, fluorescent in situ hybridisation (FISH), and RT‐PCR for the BCR::ABL1 transcript. The significance of low‐level BCR::ABL1 transcript by RT‐PCR in the absence of the Philadelphia chromosome on karyotype or by FISH is unknown.MethodsThis is a retrospective review of children diagnosed with acute leukemia at our institution from 2010 to 2020. Those positive for the BCR::ABL1 transcript by qualitative RT‐PCR, and negative for t(9;22) by karyotype or FISH were analyzed for demographics, cytogenetic and molecular features at diagnosis and relapse, treatment and outcomes. The Kaplan–Meier method was used to estimate event‐free and overall survival.ResultsForty‐seven of 306 (15%) patients with Ph‐ ALL had low‐level BCR::ABL1 detected by RT‐PCR. Most (77%) had B‐cell ALL. The e1a2 transcript was detected most frequently, in 43 (91%) patients. BCR::ABL1 was quantifiable in 12/43 (28%) patients, with a median of 0.0008% (range 0.0003–0.095%). Seven patients (15%) relapsed. No patient with low‐level BCR::ABL1 at diagnosis developed Ph + ALL at relapse. There was no difference in 5‐year event‐free (77% versus 81%, p = 0.407) or overall survival (86% versus 91%, p = 0.3) between children with low‐level BCR::ABL1 (n = 47) and those without (n = 259).ConclusionBCR::ABL1 low‐level positivity in children with newly diagnosed Ph‐ ALL is a relatively common finding and did not adversely affect outcome for patients treated using a contemporary risk‐adapted approach.
Timing of percutaneous coronary intervention and risk of new‐onset acute ischemic stroke in non‐ST elevation myocardial infarction: A retrospective cohort study insight into the National Inpatient Sample Database (2016–2019)
Authors: Shi Bo , Ma Xueping , Ye Congyan , Yan Rui , Fu Shizhe , Wang Kairu , Cui Mingzhi , Yan Ru , Jia Shaobin , Cong Guangzhi 
Published: September 2024

AbstractBackground and AimsFor patients with high‐risk non‐ST elevation myocardial infarction (NSTEMI), current guidelines recommend an early invasive strategy within 24 h. New‐onset acute ischemic stroke (NAIS) is a rare but fatal complication of percutaneous coronary intervention (PCI). However, the effect of the timing of PCI and the risk of NAIS in NSTEMI is poorly defined.MethodsPatients with NSTEMI who underwent PCI were queried from the National Inpatient Sample Database (2016–2019) and stratified into three groups: early (<24 h), medium (24–72 h), and late (>72 h) PCI. Multivariate logistic regression models were used to determine the association between timing of PCI and NAIS.ResultsAmong 633,115 weighted hospitalizations, patients in the late PCI group had a higher incidence of NAIS (1.3%) than those in the early (0.67%) and medium (0.71%) PCI groups. Patients undergoing late PCI were older, more likely to be female, and had a greater incidence of comorbidities (e.g., diabetes mellitus, chronic pulmonary and renal illness, and atrial fibrillation) than those undergoing early or medium PCI. After adjustment, only late PCI was significantly associated with a 54% increased NAIS risk (adjusted odds ratio: 1.54 [95% confidence interval: 1.29–1.84]). Additionally, there was heterogeneity in the magnitude of risk by age and sex. Younger people (<65 years) (p for interaction <0.001) and men (interaction‐value p = 0.040) were more likely to encounter NAIS.ConclusionLate PCI was associated with a higher risk of NAIS than early PCI, particularly among men and those aged <65 years.
Uropathogens and their antibiotic susceptibility patterns among diabetic patients at st. john of god hospital, duayaw nkwanta, Ghana: a cross‐sectional study
Authors: Iddrisu Abdul‐Karim , Owusu George , Doe Samuel Kofi , Yeboah Augustine Apraku , Agyapong Joseph , Yankey Nicholas 
Published: September 2024

AbstractBackgroundUropathogens are microorganisms that cause urinary tract infections (UTIs). Owing to higher blood glucose levels and compromised immune functions, treatment of uropathogens in diabetic patients is a challenge.AimThis study aims to assess the prevalence of uropathogens and their antibiotic susceptibility among diabetic patients at St. John of God Hospital at Duayaw Nkwanta (SJGHDN) in the Ahafo region of Ghana.MethodsThe cross‐sectional study recruited 175 diabetic patients at SJGHDN between August and September 2023. Questionnaires were used to collect patients’ background information. Fasting Blood Sugar (FBS) was assessed by using a glucometer. Urine samples were examined for the presence of uropathogens. A sterile inoculating loop with a calibrated volume of 2 µl was used for plating. Each colony equals 500 CFU/mL. Significant uropathogen was determined by multiplying the counted colonies by 500 to obtain CFU/mL. Positive uropathogen was defined as CFU ≥ 105/mL. Significant uropathogen was defined as ≥200 colonies per sample. The disc diffusion method was used to determine antibiotic susceptibility.ResultsOut of the 175 patients, 19.4% expressed various uropathogens with Escherichia coli being the predominant. Suboptimal glucose level was the most significant risk factor (p = 0.038). Glucosuria (p = 0.036), hazy urine (p = 0.028), positive leukocyte esterase (p = 0.001), and pus cells in urine sediment (p = 0.020) were significant indicators of uropathogen occurrence. Klebsiella pneumonia and Proteus mirabilis were resistant to ≥4 antibiotics. Amikacin, nitrofurantoin, levofloxacin, ciprofloxacin, and ceftriaxone demonstrated efficacy against the isolates.ConclusionThis study underscores the notable prevalence of uropathogens in diabetic patients and the alarming levels of antibiotic resistance observed. The results highlight the critical need for vigilant monitoring and customized treatment approaches, particularly for diabetic patients exhibiting risk factors such as elevated urine glucose levels, cloudy urine, and presence of leukocyte esterase and pus cells in urine sediment. The significant resistance to frequently used antibiotics like co‐trimoxazole and tetracycline points to the necessity of routine susceptibility testing and the use of alternative antibiotics for effective treatment. These findings can assist healthcare providers in more effectively managing and preventing UTIs in diabetic populations.
Bisexual minority stress as a risk factor for sexual violence‐related posttraumatic stress disorder symptoms among bisexual+ women: A multilevel analysis
Authors: Salim Selime R. , Harper Kelly L. , Livingston Nicholas A. , Feinstein Brian A. , Messman Terri L. 
Published: September 2024

AbstractBisexual+ (e.g., bisexual, pansexual, queer) women experience higher rates of sexual violence (SV) and posttraumatic stress disorder (PTSD) than heterosexual and lesbian women, as well as unique identity‐related minority stress. We examined between‐ and within‐person associations between bisexual minority stress and PTSD symptoms related to SV in a sample of young bisexual+ women (N = 133) who reported adult SV (Mage = 22.0 years, range: 18–25 years; 85.0% White; 99.3% cisgender). We analyzed data from four waves of data collection (baseline to 3‐month follow‐up) using multilevel models. Controlling for SV severity, there was a significant within‐person effect of antibisexual stigma from lesbian/gay people on PTSD, β = .17, p = .010, suggesting that at waves when women experienced more stigma, they also reported higher PTSD symptom levels. At the between‐person level, women who reported higher levels of antibisexual stigma from heterosexual people, β = .26, p = .043, and anticipated binegativity, β = .29, p = .005, on average across study waves also reported higher average levels of PTSD. Additionally, anticipated binegativity explained the association between average antibisexual stigma and PTSD, β = .15, p = .014, 95% CI [0.45, 4.61]. Bisexual minority stress may be associated with higher PTSD symptom severity following SV among young bisexual+ women, and the anticipation of binegativity may be a target mechanism in this association. Study findings highlight the importance of examining the joint contributions of SV and minority stress to identify novel targets for future research and practice to address PTSD symptoms.
Source partitioning of dissolved inorganic carbon addition to Pacific Winter Water in the western Arctic Ocean
Authors: Ouyang Zhangxian , Fujiwara Amane , Nishino Shigeto , Murata Akihiko , Li Qian , Hatta Mariko , Li Yun , Hussain Najid , Cai Wei‐Jun 
Published: September 2024

AbstractPacific Winter Water (PWW) with high dissolved inorganic carbon (DIC) is the key water mass in which subsurface acidification occurs in the western Arctic Ocean. To investigate and partition carbon sources added to PWW across the Chukchi shelf to the adjacent Canada Basin, we investigated the distributions of DIC and its stable isotope (δ13C‐DIC) with other hydrographic and biogeochemical parameters during the Mirai cruise in the late summer of 2021. Using a four‐end‐member mixing model, we deciphered the water masses and separated DIC changes induced by biological processes from those induced by conservative mixing. We demonstrated that DIC dynamics in PWW were mainly controlled by the biological decomposition of organic carbon (OC). A mass balance model analysis of DIC and δ13C‐DIC suggested that the apparent δ13C signature of the respired organic carbon (δ13COCx) within PWW was −22.2‰ ± 1.1‰ on the shelf and −25.6‰ ± 1.6‰ in the basin. Therefore, we concluded that marine‐origin OC was the dominant carbon source that was decomposed in the Chukchi shelf bottom water, while respired terrestrial‐origin carbon made a major contribution to DIC pool in the basin PWW. We proposed that terrestrial OC from the Chukchi and Beaufort coastal seas could be an important carbon source, which was associated with winter water formation on the shelves and influenced by Beaufort Gyre state shift and circulation changes. This unconventional finding has important ramifications for the prediction of the future state of ocean acidification in the western Arctic Ocean.