bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Novel Approach of Electrocatalytic Deamination From Aromatic Amide to Diarylimide on Ni‐PTFE Modified Electrode
Authors: Chen Wenjun , Huang Ziyang , Chen Hongyan , Liu Min 
Published: May 2024

AbstractA hydrophobic Ni‐PTFE modified electrode has been prepared by constant current and cathodic electroplating with a nickel sheet as substrate in a PTFE suspension. Then the Ni‐PTFE modified electrode was used for electroreduction from aromatic amide to diarylimide. The electrochemical characterizations such as cyclic voltammogram, EIS, polarization curves, and electrode stability have been carried out by electrochemical workstation. The structure of the electroreduction product diarylimide was characterized by 1H NMR, FT‐IR, MS(Mass Spectrum), and EA(Elemental Analyzer). Based on the hydrophobicity of the electrode, an approach suggested that the phenyl ketone radical may be formed by electroreductive deamination at the cathode. With the construction of C−N bond by the radical coupling, the electrocatalytic reduction may be comprised of a one‐electron process including an ECC (Electrochemical‐Chemical‐Chemical) process. The electroreduction of aromatic amide to diarylimide may be controlled by both charge migration and concentration polarization. Electrocatalytic reduction of aromatic amides on Ni‐PTFE modified electrodes is all well conversion ratio.
The uniqueness of flexible and mouldable thermal insulation materials in thermal protection systems—A comprehensive review
Authors: Chaturvedi Kamna , Dhangar Manish , Jaiswal Ayushi , Srivastava Avanish Kumar , Verma Sarika 
Published: May 2024

AbstractIn thermal control and safety systems, thermal insulation materials which are lightweight and flexible with hierarchical microstructures are commonly used nowadays. Flexible thermal insulation materials are designed to prevent heat transfer between two surfaces. These materials have various applications, from building insulation to automotive components, aerospace, and industrial processes. This review aims to provide an overview of flexible thermal insulation materials, their properties, and their applications. The most commonly used materials used for flexible thermal insulation are aerogels, ceramic fibres, and polymers. These materials are lightweight, durable, and have excellent thermal insulation properties and are also gaining popularity due to their unique characteristics. The insulation performance of flexible thermal insulation materials is influenced by thickness, density, porosity, and thermal conductivity factors. The choice of insulation material and its properties depend on the application site and the desired thermal insulation. The literature shows that nanofibrils‐based insulating materials have low thermal conductivity values and can be excellent flexible thermal insulating materials. Using flexible thermal insulation materials is crucial in reducing energy consumption and dissipation, enhancing thermal efficiency, and improving sustainability in various industries.
Synthesis of low cost cathode electrocatalyst Pt‐Ni/CAB using DMSO as a solvent for low temperature proton exchange membrane fuel cell application
Authors: Singh Abhay Pratap , Pramanik Hiralal 
Published: May 2024

AbstractIn the present study, low cost platinum based bimetallic electrocatalyst Pt‐Ni/CAB with varying Pt to Ni atomic ratios 3:1, 1:1, and 1:3 were successfully synthesized for oxygen reduction reaction (ORR) of the developed proton exchange membrane fuel cell (PEMFC). The solvothermal process was adopted for the synthesis of Pt‐Ni(3:1)/CAB, Pt‐Ni(1:1)/CAB, and Pt‐Ni(1:3)/CAB using dimethyl sulfoxide (DMSO) as solvent at a temperature of 190°C which is very close to the boiling point. The Pt‐Ni/CAB exhibited the highest activity for the ORR in half‐cell and single cell PEMFC performance. The electrocatalysts Pt‐Ni(1:3)/CAB appeared with smallest crystalline FCC structures having crystallite size of 8.33 nm. The transmission electron microscopy (TEM) analysis also show that the Pt‐Ni(1:3)/CAB has smallest particle size of 1.67 ± 0.45 nm. The cyclic voltammetry (CV) analysis shows Pt‐Ni(1:3)/CAB electrocatalyst offers less activation loss at ORR peak at a potential of 0.16 V as compared to Pt‐Ni(3:1)/CAB (ORR peak – 0.12) and Pt‐Ni(1:1)/CAB (ORR peak – 0.11). The synthesized Pt‐Ni(1:3)/CAB produced a maximum power density of 18.86 mW/cm2 at a maximum current density of 44.8 mA/cm2 with an open‐circuit voltage of 0.914 V at a room temperature of 33°C. The power density improved around 1.34 times when the cell temperature was raised from 33 to 70°C. The Pt‐Ni(1:3)/CAB cathode electrocatalyst could be used as economical to substitute costly commercial pure platinum based electrocatalyst.
Toxoplasma replication is inhibited by MMV676477 without development of resistance
Authors: Abbaali Izra , Truong Danny , Wetzel Dawn M. , Morrissette Naomi S. 
Published: May 2024

AbstractProtozoan parasites cause life‐threatening infections in both humans and animals, including agriculturally significant livestock. Available treatments are typically narrow spectrum and are complicated by drug toxicity and the development of resistant parasites. Protozoan tubulin is an attractive target for the development of broad‐spectrum antimitotic agents. The Medicines for Malaria Pathogen Box compound MMV676477 was previously shown to inhibit replication of kinetoplastid parasites, such as Leishmania amazonensis and Trypanosoma brucei, and the apicomplexan parasite Plasmodium falciparum by selectively stabilizing protozoan microtubules. In this report, we show that MMV676477 inhibits intracellular growth of the human apicomplexan pathogen Toxoplasma gondii with an EC50 value of ~50 nM. MMV676477 does not stabilize vertebrate microtubules or cause other toxic effects in human fibroblasts. The availability of tools for genetic studies makes Toxoplasma a useful model for studies of the cytoskeleton. We conducted a forward genetics screen for MMV676477 resistance, anticipating that missense mutations would delineate the binding site on protozoan tubulin. Unfortunately, we were unable to use genetics to dissect target interactions because no resistant parasites emerged. This outcome suggests that future drugs based on the MMV676477 scaffold would be less likely to be undermined by the emergence of drug resistance.
Allen–Cahn solutions with triple junction structure at infinity
Authors: Sandier Étienne , Sternberg Peter 
Published: May 2024

AbstractWe construct an entire solution to the elliptic system
where is a ‘triple‐well’ potential. This solution is a local minimizer of the associated energy
in the sense that minimizes the energy on any compact set among competitors agreeing with outside that set. Furthermore, we show that along subsequences, the ‘blowdowns’ of given by approach a minimal triple junction as . Previous results had assumed various levels of symmetry for the potential and had not established local minimality, but here we make no such symmetry assumptions.
A Model‐Informed Drug Development Approach to Design a Phase 3 Trial of Teverelix Drug Product in Advanced Prostate Cancer Patients with Increased Cardiovascular Risk
Authors: Sannala Chenna Keshava Reddy , MacLean Carol , Larsen Finn , van Os Steve , Jadhav Pravin , Shore Neal , Morgans Alicia K. , Okwuosa Tochukwu , Gobburu Joga 
Published: May 2024

AbstractTeverelix drug product (DP) is a parenteral gonadotropin‐releasing hormone (GnRH) antagonist that has been successfully tested in phase 2 trials for hormone‐sensitive advanced prostate cancer (APC) and benign prostatic hyperplasia (BPH). In previous APC trials, teverelix DP was administered as intramuscular (IM) and subcutaneous (SC) injections, using a loading dose and (in a single trial) a maintenance dose. Our objective was to derive an optimal dosing regimen for phase 3 clinical development, using a pharmacometrics modeling approach. Data from 9 phase 2 studies (229 patients) was utilized to develop a population pharmacokinetic (PK) model that described the concentration profile accommodating both IM and SC routes of administration. A 2‐compartment model with sequential first‐order absorption (slow and fast) and lag times best described the PK profiles of teverelix following SC and IM administration. An indirect response model with inhibition of production rate was fit to describe testosterone (T) concentrations based on physiological relevance. The final population PK–pharmacodynamic model was used to conduct simulations of various candidate dosing regimens to select the optimal dosing regimen to achieve clinical castration (T < 0.5 ng/mL by day 28) and to sustain clinical castration for 26 weeks. Model simulation showed that a loading dose of 360 mg SC and 180 mg IM with a maintenance dose of 360 mg SC 6‐weekly (Q6W) starting at day 28 can achieve a ≥95% castration rate up to 52 weeks. This dose regimen was selected for phase 3 clinical development, which includes cardiovascular safety assessment in comparison to a GnRH agonist.
First‐Principles Insights into the Mechanism of CO2 Hydrogenation Reactions by Fe‐PNP Pincer Complex
Authors: Ghoshal Sourav , Sarkar Pranab 
Published: May 2024

AbstractUsing the state of the art theoretical methods, we have provided a comprehensive mechanistic understanding of the CO2 hydrogenation into HCOOH, H2CO, and CH3OH by 2,6‐bis(diisopropylphosphinomethyl)pyridine (PNP)‐ligated Fe pincer complex, featuring one CO and two H as co‐ligands. For the computational investigation, a verified structural model containing methyl groups in place of the experimental isopropyl groups was used. Three catalytic conversions involving hydrogenation of CO2 into formic acid (HCOOH), HCOOH into formaldehyde and methanol were studied in different solvent medium. Our modelled complex appears to be a viable base‐free catalyst for the conversion of CO2 into HCOOH and HCOOH into H2CO, based on the free energy profiles, which show apparent activation energy barriers of 16.28 kcal/mol and 23.63 kcal/mol for the CO2 to HCOOH and HCOOH to H2CO conversion, respectively. However, the computed results show that, due to the huge energy span of H2CO to CH3OH conversion, complete hydrogenation of CO2 into methanol could not occur under moderate conditions. Morpholine co‐catalyst, which can lower the hydrogenation barrier by taking part in a simultaneous H‐atom donation‐acceptance process, could have assisted in completing this step.
Investigating the Intramolecular Competition of Different RNA Binding Motifs for Neomycin B by Native Top‐Down Mass Spectrometry
Authors: Heel Sarah Viola , Breuker Kathrin 
Published: May 2024

AbstractThe ongoing search for small molecule drugs that target ribonucleic acids (RNA) is complicated by a limited understanding of the principles that govern RNA‐small molecule interactions. Here we have used stoichiometry‐resolved native top‐down mass spectrometry (MS) to study the binding of neomycin B to small model hairpin RNAs, an unstructured RNA, and a viral RNA construct. For 15–22 nt model RNAs with hairpin structure, we found that neomycin B binding to hairpin loops relies on interactions with both the nucleobases and the 2′‐OH groups, and that a simple 5′ or 3′ overhang can introduce an additional binding motif. For a 47 nt RNA construct derived from stem IA of the human immunodeficiency virus 1 (HIV‐1) rev response element (RRE) RNA, native top‐down MS identified four different binding motifs, of which the purine‐rich internal loop showed the highest affinity for neomycin B. Stoichiometry‐resolved binding site mapping by native top‐down MS allows for a new perspective on binding specificity, and has the potential to reveal unexpected principles of small molecule binding to RNA.
Trust in the Food and Drug Administration: A National Survey Study
Authors: Feldman William B. , Rand Leah Z. , Carpenter Daniel , Russo Massimiliano , Bhaskar Anushka , Lu Zhigang , Campbell Eric G. , Darrow Jonathan , Kesselheim Aaron S. 
Published: May 2024

Building trust in public health agencies like the US Food and Drug Administration (FDA) has become a key government priority. Understanding the roots of FDA mistrust is important if the agency is to develop targeted messaging and reforms aimed at building confidence in the agency. We conducted a survey of 2,021 respondents in the US probing attitudes toward the FDA. The primary outcome was FDA trust, defined as the mean score that each respondent assigned to the FDA across four prespecified axes: (1) competence and effectiveness; (2) commitment to acting in the best interests of the American public; (3) abiding by the rules and regulations set forth by policy or law; and (4) expertise in health, science, and medicine. On multivariable ordinal logistic regression, FDA mistrust was associated with female gender (odds ratio [OR] = 0.74, 95% confidence interval [CI] 0.62–0.88), rural community (OR 0.85, 95% CI 0.75–0.96), conservative political views (OR 0.77, 95% CI 0.74–0.81), worse self‐reported health (OR 0.89, 95% CI 0.80–0.98), lower satisfaction with health care received (OR 0.63, 95% CI 0.56–0.71), less attention to health and science news (OR 0.72, 95% CI 0.64–0.80), and not having children under the age of 18 (OR 0.72, 95% CI 0.60–0.86). These findings underscore the challenges faced by US political leaders in convincing a heterogeneous American public to trust the FDA. The FDA should develop and deploy targeted outreach strategies to populations with lower levels of trust and strengthen internal processes that minimize biases and ensure sound decision‐making.
A Sulfonated Covalent Organic Framework for Atmospheric Water Harvesting
Authors: Schweng Paul , Li Changxia , Guggenberger Patrick , Kleitz Freddy , Woodward Robert T. 
Published: May 2024

AbstractWe report a sulfonated covalent organic framework (COF) capable of atmospheric water harvesting in arid conditions. The isothermal water uptake profile of the framework was studied, and the network displayed steep water sorption at low relative humidity (RH) in temperatures of up to 45 °C, reaching a water uptake of 0.12 g g−1 at 10 % RH and even 0.08 g g−1 at just 5 % RH, representing some of the most extreme conditions on the planet. We found that the inclusion of sulfonate moieties shifted uptake in the water isotherm profiles to lower RH compared to non‐sulfonated equivalents, demonstrating well the benefits of including these hydrophilic sites for water uptake in hot, arid locations. Repeated uptake and desorption cycles were performed on the material without significant detriment to its adsorption performance, demonstrating the potential of the sulfonated COF for real‐world implementation.
Addition of CD14 improves discrimination of lymphocytes in the TBNK phenotyping panel
Authors: Shumate Kimberly A. , Williams Samantha N. , Khatri Aashish B. , Knight Vijaya 
Published: May 2024

AbstractPeripheral blood lymphocyte phenotyping panels typically include CD45 for discrimination of the lymphocyte population, and fluorophore‐conjugated monoclonal antibodies to identify T, B, and Natural Killer (NK) cells. While CD45 combined with side scatter is generally sufficient to clearly distinguish lymphocytes from monocytes in the majority of peripheral blood samples, it is challenging to accurately gate lymphocytes in samples from patients with monocytosis or significant lymphopenia, or from very young infants. Addition of a monocyte marker to lymphocyte phenotyping panels for monocyte exclusion has previously been evaluated for improved discrimination of lymphocytes, albeit largely in healthy donor adult samples. Here we evaluate the effect of the addition of CD14 to a standard lymphocyte phenotyping panel on total lymphocyte, T, B, and NK cell percentages in a predominantly pediatric population of patients under evaluation chiefly for immunodeficiency, immune‐depletion, or immune reconstitution. Addition of CD14 to the standard lymphocyte phenotyping improved discrimination of lymphocytes from monocytes, resulted in decreased NK cell percentages, likely because CD16+ and/or CD56+ monocytes were included in the CD56+CD16+ NK cell gate with conventional gating, and although less significant, resulted in an increased percentage of B cells, since relatively larger B cells were likely gated out by more restrictive light scatter gating used with the conventional gating approach. The change in NK and B cell percentages were more pronounced in samples from patients below a year of age, and in patients who were relatively lymphopenic. These data suggest that addition of CD14 to conventional lymphocyte phenotyping panels that utilize CD45 versus side scatter gating results in significant improvement in the accuracy of lymphocyte gating, and accurate quantification of NK and B cells particularly in samples from infants and lymphopenic individuals.
AdaPtive and rObust Key pre‐distribution for multi‐phase IoT networks
Authors: Messai Mohamed‐Lamine 
Published: May 2024

SummaryInternet of Things (IoT) networks continue to be deployed and play a crucial role in our daily life. Thus, ensuring their security is of utmost importance. This necessitates the use of cryptographic materials to maintain the confidentiality of exchanged data between IoT devices (or sensor nodes). The key component of these cryptographic materials is the encryption and decryption keys. In resource‐constrained networks like sensor and IoT networks, employing symmetric pairwise keys offers a trade‐off between resource saving and security. However, symmetric cryptosystems suffer from node compromising attacks. In addition, such networks often require the post‐deployment of new IoT devices either periodically or based on specific use cases leading to a multi‐phase IoT networks. So, key establishment is required to secure newly added node communications. This paper presents an adaPtive and rObust Key pre‐distribution (POK) that enables key establishment between deployed nodes. POK enhances the generation and pre‐loading of keys in sensor nodes. The fundamental concept of POK involves pre‐loading newly added IoT or sensor nodes with pairwise keys computed using a hash function and taking into account the expected number of future post‐deployments. Through a comparative analysis with related works, POK minimizes communication overhead, eliminates the need for time synchronization, and offers an energy‐efficient scheme. Furthermore, POK offers a resilience to node compromising attack by the self‐healing property, where compromised nodes have a limited effect on the network, and newly deployed nodes remain unaffected.
The “elongate chelicera problem”: A virtual approach in an extinct pterygotid sea scorpion from a 3D kinematic point of view
Authors: Schmidt Michel , Melzer Roland R. 
Published: May 2024

AbstractChelicerae, distinctive feeding appendages in chelicerates, such as spiders, scorpions, or horseshoe crabs, can be classified based on their orientation relative to the body axis simplified as either orthognathous (parallel) or labidognathous (inclined), exhibiting considerable diversity across various taxa. Among extinct chelicerates, sea scorpions belonging to the Pterygotidae represent the only chelicerates possessing markedly elongated chelicerae relative to body length. Despite various hypotheses regarding the potential ecological functions and feeding movements of these structures, no comprehensive 3D kinematic investigation has been conducted yet to test these ideas. In this study, we generated a comprehensive 3D model of the pterygotid Acutiramus, making the elongated right chelicera movable by equipping it with virtual joint axes for conducting Range of Motion analyses. Due to the absence in the fossil record of a clear indication of the chelicerae orientation and their potential lateral or ventral movements (vertical or horizontal insertion of joint axis 1), we explored the Range of Motion analyses under four distinct kinematic settings with two orientation modes (euthygnathous, klinogathous) analogous to the terminology of the terrestrial relatives. The most plausible kinematic setting involved euthygnathous chelicerae being folded ventrally over a horizontal joint axis. This configuration positioned the chelicera closest to the oral opening. Concerning the maximum excursion angle, our analysis revealed that the chela could open up to 70°, while it could be retracted against the basal element to a maximum of 145°. The maximum excursion in the proximal joint varied between 55° and 120° based on the insertion and orientation. Our findings underscore the utility of applying 3D kinematics to fossilized arthropods for addressing inquiries on functional ecology such as prey capture and handling, enabling insights into their possible behavioral patterns. Pterygotidae likely captured and processed their prey using the chelicerae, subsequently transporting it to the oral opening with the assistance of other prosomal appendages.
Blue‐Light Enhanced Iron Catalysed Hydrosilylation of Carboxamides and Carboxylic Esters at Ambient Conditions
Authors: Zhang Qingxin , Darcel Christophe 
Published: May 2024

AbstractWe report herein a blue‐light‐promoted iron‐catalyzed reduction of carboxamides and carboxylic esters. Conducting the reaction under hydrosilylation conditions and blue light (2×24 W, 450–460 nm) in the presence of an iron(0) based pre‐catalyst, Fe(CO)4(IMes), amines and alcohols were obtained, respectively, notably at ambient conditions, whereas using white light, higher reaction temperatures up to 100 °C were required. Preliminary mechanism studies highlighted the crucial role of blue light not only to generate the catalytic active species, but also in some steps of the catalytic cycle.
Effects of water extract from Nasturtium officinale R. Br. straw on growth and selenium uptake of peach seedlings
Authors: Wang Jun , Xu Xingting , Zhou Kexuan , Xu Yaxin , Jin Xin , Xiao Yunying , Xia Xianmin , Hu Rongping , Lin Lijin 
Published: May 2024

AbstractThe content of selenium (Se) in most horticultural crops is low. To improve Se uptake in fruit trees, we investigated the impact of water extract derived from Nasturtium officinale R. Br. straw on the growth and Se uptake of peach seedlings under Se‐enriched soil by a pot experiment. The water extract of N. officinale straw exhibited notable effects on various growth parameters and Se accumulation in peach seedlings, with the most significant outcomes observed at a 200‐fold dilution. Specifically, the extract led to substantial enhancements in biomass, photosynthetic pigment content, antioxidant enzyme activity, and soluble protein content in peach seedlings. Remarkably, the 200‐fold dilution of N. officinale straw extract resulted in a 60.78% increase in root biomass and a 31.26% increase in shoot biomass when compared to the control. Moreover, the water extract augmented the levels of total Se, inorganic Se, and organic Se, along with the activities of Se metabolism‐related enzymes in peach seedlings. Among various tested dilutions, the 300‐fold and 400‐fold dilutions of N. officinale straw extract exhibited the highest total Se contents in roots and shoots, respectively, indicating increments of 97.26% and 44.08% over their respective controls. Additionally, correlation and gray relational analyses unveiled significant associations between peroxidase activity, soluble protein content, chlorophyll a content, chlorophyll a/b ratio, and the total shoot Se content. In conclusion, the water extract of N. officinale straw holds substantial potential for promoting the growth and Se uptake in peach seedlings, with the best concentration of 300‐fold dilution.