bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hybrid Molecules Containing Methotrexate, Vitamin D, and Platinum Derivatives: Synthesis, Characterization, In Vitro Cytotoxicity, In Silico ADME Docking, Molecular Docking and Dynamics
Authors: Mbese Zintle , Choene Mpho , Morifi Eric , Nwamadi M. , Adeyemi Samson , Kolawole Oyebamiji Abel , Adeyinka Adedapo S. , George Blassan , Aderibigbe Blessing Atim 
Published: September 2024

AbstractDesigning hybrid‐based drugs is one promising strategy for developing effective anticancer drugs that explore combination therapy to enhance treatment efficacy, overcome the development of drug resistance, and lower treatment duration. Bisphosphonates and Vitamin D are commonly administered drugs for the treatment of bone diseases and the prevention of bone metastases. Platinum‐based and methotrexate are widely used anticancer drugs in clinics. However, their use is hampered by adverse side effects. Hybrid‐based compounds containing either bisphosphonate, vitamin D, platinum‐based, or methotrexate were synthesized and characterized using FTIR, 1H‐,31P, 13C‐NMR, and UHPLC‐HRMS which confirmed their successful synthesis. The hydroxyapatite bone binding assay revealed a promising percentage binding affinity of the bisphosphonate hybrid compounds. In vitro cytotoxicity assays on MCF‐7 and HT‐29 cell lines revealed a promising cytotoxic effect of hybrid 19 at 50 and 100 μg/mL on HT‐29 and hybrid 15 on MCF‐7 at 100 μg/mL. Molecular docking and dynamics simulation analysis revealed a binding affinity of −9.70 kcal/mol for hybrid 15 against Human 3 alpha‐hydroxysteroid dehydrogenase type 3, showing its capability to inhibit Human 3 alpha‐hydroxysteroid dehydrogenase type 3. The Swiss ADME, ProTox‐II, GUSAR (General Unrestricted Structure‐Activity Relationships), and molecular docking and dynamics studies revealed that these compounds are promising anticancer compounds.
High Yield of L‐Sorbose via D‐Glucose Isomerization in Ethanol over a Bifunctional Titanium‐Boron‐Beta Zeolite
Authors: Ren Limin , Xiao Yuxuan , Bhattacharjee Rameswar , Wu Jingjing , Tang Pengyi , Caratzoulas Stavros , Meng Changgong , Guo Qiang , Tsapatsis Michael 
Published: September 2024

AbstractD‐Glucose‐to‐L‐sorbose isomerization on Lewis acidic zeolite is a highly attractive avenue for sorbose production. But the L‐sorbose yield is limited by the competing D‐glucose‐to‐D‐fructose isomerization and reaction equilibrium. In this work, it is suggested that ethanol directs the glucose conformation for selective D‐glucose‐to‐L‐sorbose isomerization. It also reacts with the produced L‐sorbose to form ethyl‐sorboside, which allows the D‐glucose‐to‐L‐sorbose isomerization to proceed beyond the thermodynamic equilibrium limit. It is shown that a bifunctional zeolite Beta containing framework titanium (Ti) and boron (B) is a selective catalyst for this tandem reaction: Lewis acidic framework Ti catalyzes the D‐glucose‐to‐L‐sorbose isomerization via an intramolecular 5,1‐hydride shift process as confirmed by isotopic tracing experiments followed by 13C‐NMR, while weak Brønsted acid framework B selectively promotes the sorbose ketalization with ethanol. A remarkably high yield of L‐sorbose with a high fraction of sugar (>95 %: 27 % unreacted glucose, 11.4 % fructose, 57 % sorbose) was obtained after the mixture produced in ethanol was hydrolyzed.
Enhancement of Effective Energy Barrier and Magnetic Blocking Temperature in Tetraoxolene Radical Coupled Dinuclear Dysprosium Complex
Authors: Kumar Sahu Pradip , Konar Sanjit 
Published: September 2024

AbstractA well‐judged combination of a high axial ligand field and a bridging radical ligand in a dinuclear lanthanide complex provides a single‐molecule magnet with a higher effective energy barrier for magnetic relaxation and blocking temperature compared to its non‐radical analog due to significant magnetic exchange coupling between radical and Ln(III) ions. In this work, we report two chloranilate (CA) bridged dinuclear dysprosium complexes, [{(bbpen)Dy(μ2‐CA)Dy(bbpen)}] (1Dy) and [{(bbpen)Dy(μ2‐CA⋅)Dy(bbpen)}−{CoCp2}+] (2Dy), where 2Dy is the radical bridged Dy‐complex obtained via the chemical reduction of bridging CA moiety (H2bbpen=N,N′‐bis(2‐hydroxybenzyl)‐N,N′‐bis(2‐methylpyridyl)ethylenediamine). The presence of high electronegative phenoxide moiety enhances the axial anisotropy of pseudo‐square antiprismatic Dy(III) ions. The diffused spin of radical is efficiently coupled with anisotropic Dy(III) centres and decreases the quantum tunnelling of magnetization (QTM) in the magnetic relaxation process. The magnetic relaxation of 1Dy follows Orbach, Raman, and QTM processes whereas for 2Dy it follows Orbach and Raman Processes. Due to less involvement of the QTM relaxation process, 2Dy shows a higher thermal energy barrier (Ueff=700 K) and a high blocking temperature (6.7 K), compared to its non‐radical analog. Remarkably, the radical coupled 2Dy complex shows the highest energy barrier among the radical bridged Dy(III)‐based SMMs to date.
Isolation and Cryopreservation of Primary Macaque Hepatocytes
Authors: Guo Xiaoqing , Seo Ji‐Eun , Davis Kelly , Malhi Pritpal , Fili Cameron 
Published: September 2024

AbstractPrimary human hepatocytes (PHHs) are recognized as the "gold standard" for evaluating toxicity of various drugs or chemicals in vitro. However, due to their limited availability, primary hepatocytes isolated from rodents are more commonly used in various experimental studies than PHHs. However, bigger differences in drug metabolism were seen between humans and rats compared to those between human and non‐human primates. Here, we describe a method to isolate primary hepatocytes from the liver of rhesus macaques (Macaca mulatta, a species of Old‐World monkey) after in situ whole liver perfusion. Techniques for cryopreserving and recovering primary macaque hepatocytes (PMHs) are also described. Given the remarkable physiological and genetic similarity of non‐human primates to humans, PMHs isolated using this protocol may serve as a reliable surrogate of PHHs in toxicological research and preclinical studies. Published 2024. This article is a U.S. Government work and is in the public domain in the USA.Basic Protocol 1: In situ whole liver perfusionBasic Protocol 2: Primary macaque hepatocyte isolation and cell platingBasic Protocol 3: Cryopreservation and recovery of primary macaque hepatocytes
Lipid nanoparticle‐mediated RNA delivery for immune cell modulation
Authors: Kim Emily H. , Teerdhala Sridatta V. , Padilla Marshall S. , Joseph Ryann A. , Li Jacqueline J. , Haley Rebecca M. , Mitchell Michael J. 
Published: September 2024

AbstractLipid nanoparticles (LNPs) have emerged as the preeminent nonviral drug delivery vehicles for nucleic acid therapeutics, as exemplified by their usage in the mRNA COVID‐19 vaccines. As a safe and highly modular delivery platform, LNPs are attractive for a wide range of applications. In addition to vaccines, LNPs are being utilized as platforms for other immunoengineering efforts, especially as cancer immunotherapies by modulating immune cells and their functionality via nucleic acid delivery. In this review, we focus on the methods and applications of LNP‐based immunotherapy in five cell types: T cells, NK cells, macrophages, stem cells, and dendritic cells. Each of these cell types has wide‐reaching applications in immunotherapy but comes with unique challenges and delivery barriers. By combining knowledge of immunology and nanotechnology, LNPs can be developed for improved immune cell targeting and transfection, ultimately working toward novel clinical therapeutics.
Characteristics of motion signal profiles of tonic–clonic, tonic, hyperkinetic, and motor seizures extracted from nocturnal video recordings
Authors: Ojanen Petri , Kertész Csaba , Peltola Jukka 
Published: September 2024

AbstractObjectiveIn this study, characteristics of signal profiles formed by motion, oscillation, and sound signals were analyzed to evaluate generalizability and variability in a single patient setting (intra‐patient variability) and between patients (inter‐patient variability). As a secondary objective, the effect of brivaracetam intervention on signal profiles was explored.MethodsPatient data included 13 hyperkinetic seizures, 65 tonic seizures, 13 tonic–clonic seizures, and 138 motor seizures from 11 patients. All patients underwent an 8‐week monitoring, and after a 3‐week baseline, brivaracetam was initiated. Motion, oscillation, and sound features extracted from the video were used to form signal profiles. Variance of signals was calculated, and combined median and quartile visualizations were used to visualize the results. Similarly, the effect of intervention was visualized.ResultsHyperkinetic motion signals showed a rapid increase in motion and sound signals without oscillations and achieved low intra‐patient variance. Tonic component created a recognizable peak in motion signal typical for tonic and tonic–clonic seizures. For tonic seizures, inter‐patient variance was low. Motor signal profiles were varying, and they did not form a generalizable signal profile. Visually recognizable changes were observed in the signal profiles of two patients.SignificanceVideo‐based motion signal analysis enabled the extraction of motion features characteristic for different motor seizure types which might be useful in further development of this system. Tonic component formed a recognizable seizure signature in the motion signal. Hyperkinetic and motor seizures may have not only significantly different motion signal amplitude but also overlapping signal profile characteristics which might hamper their automatic differentiation. Motion signals might be useful in the assessment of movement intensity changes to evaluate the treatment effect. Further research is needed to test generalizability and to increase reliability of the results.
Enhancing operational performance assessment of structures with seismic response modification devices: The role of observability and symmetry analysis under limited sensor deployment
Authors: He Xinhao , Lin Yu , Li Dan , Unjoh Shigeki 
Published: September 2024

AbstractTo manage structural responses under various external forces, the increasing incorporation of seismic isolation and supplementary damping systems in modern civil engineering necessitates post‐installation performance assessments. The challenge of accurately inferring system information from these complex dynamical structures, especially with limited sensor deployment, could be significant. From the perspective of solving inverse problems, this challenge hinges on constructing an input‐output mapping that assures unique solutions, achievable through theoretical observability or symmetry analysis. We introduce a unified algorithm framework designed to accommodate various definitions of Lie derivatives, specifically for observability and symmetry analysis in dynamic systems with affine, non‐affine, and unknown inputs—capabilities not fully achieved in previous studies. We demonstrate its application across typical dynamic scenarios, including both linear and nonlinear examples. We also present a numerical example featuring complex isolation systems with limited sensor layouts, illustrating how uniform convergence can be achieved in estimating all system states when an observable input‐output mapping is utilized. Furthermore, an experimental example employing shaking table tests showcases the potential complications that arise when an unobservable input‐output mapping is used.
Comprehensive case study on the technical feasibility of Green hydrogen production from photovoltaic and battery energy storage systems
Authors: Oliveira Gessica N. S. , Costa Tatiane , Mohamed Mohamed A. , Ilinca Adrian , Marinho Manoel H. N. 
Published: September 2024

AbstractThe growing demand for alternative energy sources to alleviate environmental impacts highlights the need to move from fossil fuels to renewable energy. This study demonstrated the technical feasibility of using a solar photovoltaic (PV) system for the production of green hydrogen. This research examined electrical and power data from a PV plant in Irecê, Bahia, using open data sources to provide insights into the production of green hydrogen from renewable sources. The system mainly depends on the use of a renewable source, PV solar energy, integrated with batteries, electrolyzers, and hydrogen tanks. Electrolyzer, battery, and hydrogen tank sizing analysis for optimal hydrogen production was effectively conducted using HOMER Energy software. The predicted system topology prioritizes a local DC network, optimizing efficiency for electrolyzers that have inherently low efficiency. The electrolyzer simulation involves initial Python‐based sizing and comprehensive sizing with HOMER Energy software, ensuring accuracy within a 10% discrepancy limit. This highlights the importance of analytical calculations and optimization software for sizing more complex systems.
Baicalin attenuates vascular inflammation and endothelial dysfunction in diabetes
Authors: Miao Lingchao , Yang Yifan , Dai Jinming , Bai Mei , Wang Yuehan , Cui Haiying , Lin Lin , Alharbi Metab , Cheang Wai San 
Published: September 2024

AbstractBaicalin is a natural flavonoid shown to attenuate inflammation, tumor, and cardiovascular diseases. However, its effect on endothelial function in diabetes remains unclear and was investigated in current study. A high‐fat diet (60% kcal fat diet) was used to feed male C57BL/6 mice for 14 weeks to build a diet‐induced obese (DIO) diabetic mouse model. Baicalin (50 and 100 mg/kg/day) or vehicle was applied to DIO mice by oral gavage in the last 4 weeks. Separated mouse aortic rings were induced by high glucose and primary rat aortic endothelial cells (RAECs) were stimulated by advanced glycation end products (AGEs), and cotreated with or without varying doses of baicalin and 5′AMP‐activated protein kinase (AMPK) inhibitor Compound C. Forty‐eight‐hour exposure to high glucose impaired acetylcholine‐induced endothelium‐dependent relaxations in mouse aortas and produced excessive levels of reactive oxygen species (ROS). Similar phenomenon was observed in aortas from DIO mice. Baicalin treatment could alleviate these damage through preventing expression and translocation of nuclear factor (NF)‐κB p65 pathway, accomplished with decreased expressions of vascular cell adhesion molecule 1 (VCAM‐1) and intracellular adhesion molecule 1 (ICAM‐1) as well as proinflammatory cytokines including tumor necrosis factor alpha (TNF‐α) and interleukin 6 (IL‐6). These improvements were AMPK‐dependent as Compound C abolished the effects. Similar beneficial effects of baicalin and inhibitory effects of Compound C were observed in AGEs (200 µg/mL, 24 h)‐induced RAECs. To conclude, baicalin protects against vascular inflammation and endothelial dysfunction associated with diabetes through suppression on inflammation and oxidative stress via activating AMPK.
The Value of Information is Context Dependent: A Demonstration of Decision Tools to Address Multispecies River Temperature Management Under Uncertainty
Authors: Healy Brian D. , Runge Michael C. , Beakes Michael , Phillis Corey C. , Jensen Alexander J. , Israel Joshua A. 
Published: September 2024

Abstract
Trade-offs among objectives in natural resource management can be exacerbated in altered ecosystems and when there is uncertainty in predicted management outcomes. Multi-criteria decision analysis and value of information (VOI) are underutilized decision tools that can assist fisheries managers in handling trade-offs and evaluating the importance of uncertainty. We demonstrate the use of these tools using a case study in the Sacramento River, California, USA, where two imperiled species with different temperature requirements, winter-run Chinook Salmon Oncorhynchus tshawytscha and Green Sturgeon Acipenser medirostris, spawn and rear in the artificially cold Shasta Dam tailwater. A temperature-control device installed on Shasta Dam maintains cool water for Chinook Salmon; however, uncertainties exist related to the effects of temperatures on the spawning and rearing of both species. We consider four alternative hypotheses in models of early life-stage dynamics to evaluate the effects of alternative temperature management strategies on Chinook Salmon and Green Sturgeon management objectives. We used VOI to quantify the increase in management performance that can be expected by resolving hypothesis-based uncertainties as a function of the weight assigned to species-specific objectives. We found the decision was hindered by uncertainty; the best performing alternative depends on which hypothesis is true, with warmer or cooler alternative management strategies recommended when weights favor Green Sturgeon or Chinook Salmon objectives, respectively. The value of reducing uncertainty was highest when Green Sturgeon was slightly favored, highlighting the interaction between scientific uncertainty and decision makers' values. Our demonstration features multi-criteria decision analysis and VOI as transparent, deliberative tools that can assist fisheries managers in confronting value conflicts, prioritizing resolution of uncertainty, and optimally managing aquatic ecosystems.
Impact of isolated fetal congenital heart disease on pregnancy and perinatal outcomes
Authors: Kittiratanapinan Yossawadee , Anuwutnavin Sanitra , Kanjanauthai Supaluck , Wutthigate Punnanee , Boriboonhirunsarn Dittakarn , Chawanpaiboon Saifon 
Published: September 2024

AbstractObjectiveThe aim of the present study was to evaluate the obstetric complications associated with isolated fetal congenital heart disease (CHD) by comparing pregnancies with and without this condition.MethodsIn this retrospective matched comparative study at Siriraj Hospital, Thailand, we included 233 postnatally confirmed fetal CHD cases and 466 unaffected fetuses. Controls were selected at a 2:1 ratio, ensuring that they matched the cases in terms of maternal age, parity, and history of preterm deliveries.ResultsFetal CHD was significantly associated with an increased risk of spontaneous preterm labor (30% vs 9.7%; adjusted odds ratio [aOR] 2.42; 95% confidence interval [CI]: 1.35–4.36; P = 0.003), delivery before 34 gestational weeks (11.6% vs 0.6%; aOR 12.33; 95% CI: 3.32–45.78; P < 0.001), and pre‐eclampsia (11.6% vs 2.8%; aOR 2.19; 95% CI: 1.01–4.76; P = 0.047). Newborns with CHD were significantly more likely to be small for gestational age (10.7% vs 5.2%; aOR 2.09; 95% CI: 1.11–3.94; P = 0.022). Intriguingly, a prenatal diagnosis of CHD was associated with a reduced risk of preterm delivery in affected pregnancies (P = 0.002).ConclusionPregnancies affected by isolated fetal CHD demonstrated a higher propensity for several adverse outcomes. These findings underscore the importance of prenatal CHD detection and tailored perinatal care to potentially improve both pregnancy outcomes and neonatal health.
LINGPASS: An approach for multilingual passphrase generation by integrating English and Tamil
Authors: Balayogi G. , Kuppusamy K. S. 
Published: September 2024

AbstractIn today's world of ever‐increasing cyber threats, safeguarding digital accounts is paramount. Traditional passwords are often vulnerable to brute force attacks and can be easily guessed, leading to a shift towards passphrases. However, using monolingual passphrases can pose several challenges, such as lack of diversity, predictability, memorability, and accessibility. To address this issue, this paper presents a model called LINGPASS, short for Language INtegrated Graph‐based PASSphrase, which generates multilingual passphrases by combining English and Tamil languages. The proposed approach is implemented as a web application for user convenience, and the entropy of the passphrase is evaluated using Shannon entropy. The LINGPASS model generates higher entropy passphrases than existing multilingual passphrase generators, increasing the security of digital accounts. By integrating two languages, LINGPASS increases the entropy of the passphrase by approximately 72%, making it less vulnerable to dictionary attacks. Additionally, the copy/paste functionality reduces typing errors, making it more user‐friendly.
Broad‐spectrum coronavirus neutralization induced by hetero RBD‐Fc protein vaccine
Authors: Zhao Chaoyue , Cai Guonan , Jiang Shuai , Wang Xun , Li Chen , Liu Xinyu , Qiao Rui , Zhao Xiaoyu , Cui Yuchen , Chen Yanjia , Li Jiayan , Liu Changyi , Yu Jizhen , Gong Jiami , Wang Pengfei 
Published: September 2024

AbstractIn the landscape of infectious diseases, human coronaviruses such as SARS‐CoV, MERS‐CoV, and SARS‐CoV‐2 pose significant threats, characterized by severe respiratory illnesses and notable resistance to conventional treatments due to their rapid evolution and the emergence of diverse variants, particularly within SARS‐CoV‐2. This study investigated the development of broad‐spectrum coronavirus vaccines using heterodimeric RBD‐Fc proteins engineered through the “Knob‐into‐Hole“ technique. We constructed various recombinant proteins incorporating the receptor‐binding domains (RBDs) of different coronaviruses. Heterodimers combining RBDs from SARS‐CoV‐2 with those of SARS‐CoV or MERS‐CoV elicited superior neutralizing responses compared to homodimeric proteins in murine models. Additionally, heterotetrameric proteins, specifically D614G_Delta/BA.1_XBB.1.5‐RBD and MERS_D614G/BA.1_XBB.1.5‐RBD, elicited remarkable breadth and potency in neutralizing all known SARS‐CoV‐2 variants, SARS‐CoV, related sarbecoviruses like GD‐Pangolin and WIV1, and even MERS‐CoV pseudoviruses. Furthermore, these heterotetrameric proteins also demonstrated enhanced cellular immune responses. These findings underscore the potential of recombinant hetero proteins as a universal vaccine strategy against current and future coronavirus threats.
Assessing the effectiveness of prosocial activism within sponsored influencer posts on product promotion
Authors: Gao Liyu , Marder Ben , Lacka Ewelina , Colliander Jonas 
Published: September 2024

AbstractMandatory sponsorship disclosure has reduced the value of influencer campaigns, as consumers are astutely aware of their promotional nature. At the same time, influencers are mobilizing as activists for prosocial causes. Against this backdrop, we ask: Do activism statements within sponsored influencer posts increase their effectiveness? and if so “why” and “when”? Through one behavioral pilot study and four experiments, we reveal that activism statements in sponsored influencer posts prompt consumers to spend more time browsing the promoted product website and increase their purchase intentions. These effects are explained by a reduction in the activation of persuasion knowledge (i.e., reduced perceived selling intent). We further show that the positive effect of combining activism with product promotion is attenuated by the consumer's high level of cynicism. Moreover, influencer‐cause congruence boosts the positive effects of sponsored activism posts; however, incongruence causes these posts to backfire by raising perceived manipulative and selling intent. By intersecting two common phenomena in influencer posts (sponsorship disclosure and prosocial activism), we extend knowledge of the antecedents of sponsored influencer posts’ success and offer strategies for marketers to harness them.