bluuebunny/crossref_metadata_2025 huggingface dataset:
Using Gas Molecules to Assemble Value‐Added Materials through Dynamic Gas‐Bridged Bond
Authors: Liang Xin , Wang Yangyang , Wang Yixin , Yan Qiang
Published: February 2025

The conversion and utilization of greenhouse gases and other polluting gases in a green way represents a crucial strategy for developing C1 chemistry and mitigating the dual crises of energy scarcity and the greenhouse effect. As a class of polyatomic molecules with a relatively simple structure, gas molecules are directly involved in the assembled process as the building blocks, converting them into polymer assemblies under mild and low energy consumption, and constructing recyclable functional assembled materials, which is of great significance to enrich the building block of assembly and promote the sustainable value‐added of gas. The dynamic gas bridge is a new way of combining gas with other molecules, it provides the possibility for gas conversion and dynamic assembly. This perspective systematically introduces the formation mechanism and unique physicochemical properties of the dynamic gas bridge, and discusses the latest research progress of dynamic gas‐bridged chemistry with a particular focus on three key aspects: gas‐regulated assembled system, gas‐constructed assembled materials, and green and efficient catalysis. Finally, a perspective on critical challenges and future directions of assembled materials based on dynamic gas bridge chemistry are also highlighted.
Eigenvalue Problems and Time‐Dependent Maxwell‐Stokes System
Authors: Pan Xingbin
Published: February 2025

We discuss eigenvalue problem of the Maxwell‐Stokes operator under various boundary conditions, and use the eigenvectors to construct solutions of linear and semilinear parabolic and hyperbolic Maxwell‐Stokes systems.
Separability and Estimates for Eigenvalues and Singular Numbers of a Class of Hyperbolic‐Type Differential Operators
Authors: Muratbekov Mussakan , Muratbekov Madi
Published: February 2025

In this paper, we study the spectral properties of a class of differential operators of hyperbolic type with variable unbounded coefficients. We find conditions for the existence of a resolvent and maximum regularity of solutions. We also find conditions that ensure the compactness of the resolvent. We obtain two‐sided estimates of approximation numbers (c‐numbers). In addition, we give an example showing how to find estimates of eigenvalues using estimates of approximation numbers.
A Compact and Continuously Tunable 360° Phase Shifter Using Cascaded Transformer‐Based 180° Reflection‐Type and Switched‐Type Phase‐Shift‐Cell
Authors: Pu Jia‐Yang , Xu Jin , Su Jia‐Hao , Zhao Ming , Liu Fang
Published: February 2025

This article presents a design method for compact and continuously tunable 360° phase shifter (PS). The proposed structure consists of a 180° reflection‐type phase shifter (RTPS) cascaded with a 180° switched‐type phase shifter (STPS). RTPS consists of a transformer‐based 90° coupler and Γ‐π reflection loads. STPS consists of a transformer and a single‐pole double‐throw (SPDT). For experimental verification, a compact and continuously tunable 360° PS with a center frequency of 1.5 GHz was designed and fabricated. From the measurement results, the proposed 360° PS provides a tunable phase shift range (PSR) of 0°–360°, with an the insertion loss (IL) of 2.85 ± 0.7 dB, which has a circuit size of 0.031 λg2.
Introducing New Products via Social Media Influencers: Pricing and Commission Strategies
Authors: Li Zhenhao , Liang Liping
Published: February 2025

Firms are increasingly leveraging social media influencers to enhance customer awareness of their products and generate sales. In this paper, we develop a two‐period model to investigate a firm's strategy for introducing a product via an influencer. In a promotional campaign conducted in the first period, the influencer exerts an effort to sell the product to her followers, who may disseminate the product information to non‐followers via word‐of‐mouth (WOM). In the subsequent selling period, the firm sells the product directly. We explore how factors relating to the influencer affect the firm's decisions. We find that the firm's pricing and commission contract decisions for the promotional campaign depend on the difference between the WOM effect of followers who do or do not make purchases, rather than the individual effect of each group. The firm generally offers a base pay plus sales‐based commission to influencers with high reservation payoffs and a pure sales‐based commission contract to those with low reservation payoffs. The influencer with a medium‐sized follower base receives the highest commission rate and exerts the largest promotion effort, while the firm may charge her followers the highest price. Moreover, the firm may not be better off using an influencer with a larger follower base. Additionally, we demonstrate the robustness of our major findings when there exists the network effect in the product diffusion process.
Preparation and study of methacrylic acid copolymer‐modified acrylate resins and their composites
Authors: Qin Yufang , Wang Jun , Yang Shuang , Chen Xi , Zhu Jiangjin , Zhu Weirong
Published: February 2025

In recent years, thermoplastic acrylate resins have been widely used due to their excellent properties, but the thermoplastic resin has a high melt viscosity, which makes it difficult to achieve a good impregnation effect with fibers. In this paper, methacrylic acid (MAA) copolymer‐modified acrylate resin composites are prepared by an in‐situ polymerization/reactive chain growth impregnation process. This process improves the intermolecular forces and the interfacial bonding between resin and fiber by introducing strong polar groups of carboxylate, thus significantly improving the overall performance of the resin matrix and its glass‐fiber (GF)–reinforced composites. Compared to the unmodified resin polymethyl methacrylate (PMMA), the tensile strength was increased by 14.54%, tensile modulus by 23.36%, flexural strength by 20.05%, flexural modulus by 21.62%, impact toughness by 35.98%, and Tg by 15.42%. Compared with the unmodified composite GF/PMMA, tensile strength increased by 53.68%, tensile modulus by 38.94%, flexural strength by 24.75%, flexural modulus by 7.68%, and tensile shear strength increased by 21.44%.

Highlights

MAA‐modified acrylate resin composites were prepared by in situ polymerization;

Mechanical properties of resins were enhanced due to the formation of hydrogen bonds;

Interfacial properties of composites were enhanced due to the introduction of COOH.
Improvement of toughness and road performance of unsaturated polyester resin asphalt pavement crack sealant through liquid rubber/nanoclay hybrid toughening
Authors: Zhang Hongliang , Zhu Kongfa , Kang Haonan , Wei Tongjun , Yuan Chengzhi
Published: February 2025

To more effectively repair cracks and reduce maintenance costs, an unsaturated polyester resin (UPR) sealant, RMUP, hybrid toughened by liquid nitrile rubber and nanomontmorillonite, was developed. The optimal preparation procedure was proposed based on the results of an orthogonal test concerning the impacts of preparation procedure parameters (sequence of modifier addition, stirring speed, and time) on its mechanical properties. The adaptability and effectiveness of RMUP for repairing pavement cracks were assessed through a series of performance tests on composite specimens repaired by RMUP sealant, including bonding performance test, low‐temperature cracking resistance test, water‐induced damage resistance test, and fatigue resistance test, as well as contrastive analysis with other available sealants. Furthermore, the toughening mechanisms involved in RMUP were elucidated with the aid of FTIR and SEM to characterize its molecular structure and fractography. The results demonstrate that RMUP sealant has superior bonding and shear strength, measuring 0.86 and 1.04 MPa, respectively, and shows favorable applicability in crack repair. The sealant can effectively and durably bond cracked pavement structures and yield repaired pavement structures with excellent resistance against water‐induced damage and fatigue. The fractography reveals that the increased toughness of RMUP is attributed to the additive toughening effect of rubber particles and nanomontmorillonite. In addition, the cross‐linking of nitrile rubber molecular chains with UPR polymer chains and the intercalation of UPR polymer chains into nano‐montmorillonite galleries further contribute to the enhanced toughness of the UPR matrix.

Highlights

The addition order of modifiers impacts the mechanical properties of composites.

RMUP effectively and durably bonds cracked pavement structures.

The cross‐linking of liquid nitrile rubber with the matrix polymer chains improves composite flexibility.

The clay–polymer intercalation structure promotes the matrix's toughness.

Multiple toughening mechanisms coexist in RMUP and have an additive toughening effect.
The Influence of Irradiation Wavelength on the Growth of Polymer Brushes by SI‐PET‐RAFT Polymerization
Authors: Mérai László , Rymsha Khrystyna , Yadav Jyoti , Pester Christian W. , Fery Andreas , Besford Quinn A.
Published: February 2025

An effective method to produce well‐defined polymer brushes with high spatial, temporal, and sequence control is to employ a photoredox catalyst in photo‐mediated polymerization. Generally, the excitation wavelength is chosen as the absorption maximum of the photocatalyst, however, it is not clear if that corresponds to the best photochemical activity for producing polymer brushes. Herein, we systematically examine wavelength‐by‐wavelength resolved polymer brush growth using surface‐initiated photoinduced electron transfer‐reversible addition‐fragmentation chain transfer polymerization (SI‐PET‐RAFT), of four monomer types. The absorption spectra of the water‐soluble photocatalyst (ZnTPPS44−) and the brush growth at each irradiation wavelength were examined as photochemical activity plots. Our results show a striking disparity between the absorbance of the photoredox catalyst and the maximum brush height. Moreover, the photochemical activity with wavelength was highly dependent on the nature of the monomer used. In addition to displaying a strong wavelength selectivity, a characteristic red‐shift in the brush height relative to the lowest possible energy transition of the photocatalyst's absorbance spectrum was observed. We anticipate this work will better inform on wavelength choice for SI‐PET‐RAFT polymerization of polymer brushes.
Post‐Traumatic Stress Disorder (PTSD) Among Algerian Cancer Patients: Validity of the Arabic DSM‐5 PTSD Checklist (PCL‐5) and Associated Factors
Authors: Sabah Aiche , Hammadi Fethi , Lee Chiu‐Hsiang , Aljaberi Musheer A. , van Dijk Monique , Lin Chung‐Ying , Griffiths Mark D.
Published: February 2025

Background

Cancer patients are at risk of post‐traumatic stress disorder (PTSD) throughout their treatment journey due to serious challenges (e.g., complex surgical interventions, severe pain, and side effects from chemotherapy or radiation therapy). This may worsen patients’ health and negatively impact their overall treatment journey and well‐being. However, this area remains understudied in Algeria. Therefore, there is a need to understand the levels of PTSD symptoms and the associated factors among Algerian patients. To ensure accurate assessment and diagnosis, a validation study was conducted to confirm that the PTSD measurement instrument used was culturally appropriate for the Algerian context. The study’s main objectives were to (i) determine the prevalence of PTSD among cancer patients in Algeria, (ii) validate the Arabic DSM‐5 PTSD Checklist (PCL‐5) among Algerian cancer patients, and (iii) explore the associations between demographic and clinical factors and PTSD among this population.

Methods

The present study was cross‐sectional and comprised 370 cancer patients. All participants were patients receiving treatment in oncology wards across various hospitals. All participants completed the PCL‐5. Confirmatory factor analysis (CFA) was used to examine the factor structure of the PCL‐5.

Results

The PCL‐5 was found to have a four‐factor structure. Out of the 370 participants, 154 (41.6%) had PCL‐5 scores below the cutoff of 31, indicating lower levels of PTSD symptoms; 216 participants (58.4%) had scores above this threshold, suggesting a likelihood of PTSD. Moreover, PTSD was significantly associated with patients' low educational attainment and more advanced stages of their disease.

Conclusions

The findings indicated moderate to high PTSD symptoms among cancer patients in Algeria. Moreover, the Arabic PCL‐5 demonstrated good psychometric properties confirming that it is a reliable and valid tool for assessing PTSD symptoms among Algerian cancer patients.
The Landscape of Supportive Care Needs Among Prostate Cancer Patients in New Zealand: A Cross‐Ethnic Analysis
Authors: Xiao Hui , Baxter G. David , Liu Lizhou , Hoeta Tobias , Wibowo Erik
Published: February 2025

Background

Prostate cancer (PCa) is a significant health burden within New Zealand (NZ). Survival gains from prostate cancer have created a shift in focus from survival towards quality of life (QoL) and supportive care during extended survivorship.

Method

We launched a nation‐wide cross‐sectional survey and recruited three cohorts of 1000 men with prostate cancer (men diagnosed with prostate cancer within 1 year, between 1 and 3 years, and between 3 and 5 years) as well as an additional Māori men group (N = 4000 in total). The survey instruments measured quality of life, supportive care needs, and care service utilization.

Results

Analysis of 1075 responses revealed that Māori men experienced lower quality of life and reported greater unmet supportive care needs. Information and psychology needs were mostly reported in both Māori and non‐ Māori groups. Key predictors of these needs included mental health conditions, hormonal imbalances, and employment status.

Conclusion

The study highlights significant ethnic disparities in the supportive care needs of New Zealand prostate cancer survivors (PCS), emphasizing the necessity for tailored, culturally sensitive healthcare interventions. Addressing the complex determinants of these needs is crucial for enhancing the well‐being of all PCS.

Implications for Cancer Survivors

Actively seeking health information and mental health counselling would significantly benefit PCS by reducing unmet supportive care needs and improving overall quality of life. This approach encourages survivors to take an active role in their healthcare, potentially leading to better health outcomes and enhanced well‐being.
Thermal Behavior of Explosive Fireballs as a Function of Charge Size
Authors: Ritchie Cole , Dean Steven W , McNesby Kevin L , Benjamin Richard A , Pantoya Michelle L.
Published: February 2025

Post‐detonation fireball temperatures were measured as a function of charge size for pentolite spheres ranging from 13 to 165 g using video pyrometry. The charges were detonated in an open environment with diagnostics positioned to monitor the optical emission intensity as a function of time. The emission data was analyzed for temperature and a threshold intensity was used to identify the thermal growth and decay of a fireball as a function of explosive charge size. Experiments used three‐color imaging pyrometry (i.e., spatially and temporally resolved measurements) and spectrograph‐based pyrometry (i.e., spatially averaged measurements over a broader spectral range) to calculate temperatures. Results show fireball growth and decay rates are similar for the larger charge masses (55 and 165 g) and reduced by about 50% for the smaller charge mass (13 g). When the data are normalized spatially and temporally, the scaling of thermal growth and decay are nearly identical.
Investigating the Interaction Mechanisms of Aluminum Particles in Laser‐Induced Ignition Experiments
Authors: Luo Chao , Yi Zhicong , Liu Qijun , Liu Fusheng , Guo Wencan , Pei Hongbo , Li Xinghan
Published: February 2025

Aluminum (Al) particles are integral to aerospace and defense technologies, yet the mechanisms governing their interactions are not fully elucidated. This research examines the influence of interparticle distance on the ignition and combustion characteristics of Al particle clusters under laser irradiation. By employing ultrasonic dispersion sample preparation and continuous laser irradiation, we isolated the effects of interparticle distance from other variables. As the ratio of interparticle distance to particle diameter escalates from 4 to 9, a concomitant decrease in ignition delay of Al particle clusters is observed, whereas the combustion intensity may experience an increment. Theoretical analyses indicate that interparticle distance significantly modulates the efficacy of laser heat absorption and convective heat transfer during the ignition phase. Consequently, it is inferred that the ignition of Al particle clusters deviates from being governed by the traditional diffusion‐controlled paradigm, which, instead, appears to dictate the combustion process of these clusters. A novel finding from our experiments is the robust correlation between AlO molecular emissions and laser signals, which is attributed to the decomposition of Al2O3 under conditions of extreme energy input. These findings can provide crucial scientific insights for the aluminized solid propellants and explosives.
Perforated Manganese(III) Oxide Microcubes for Enhancing Burn Rates of Ammonium Perchlorate–Based Composite Propellants
Authors: Saju Santra Merin , Thomas Justin Alex , Vargeese Anuj A.
Published: February 2025

Transition metal compounds are widely used in catalytic applications due to their ability to exhibit various oxidation states depending on the chemical environment. Their surface activity can be further tailored by controlling the morphology. In this study, single‐crystalline Mn2O3 microcubes (MMCs) with Swiss cheese‐like morphology were evaluated as burn‐rate enhancers for ammonium perchlorate (AP)‐based composite solid propellants (CSPs). The kinetic parameters of the catalysed AP decomposition were analysed using both model‐free (isoconversional) and model‐fitting methods. The addition of 4% MMCs reduced the activation energy of the AP decomposition and altered the reaction pathway, transforming the two‐stage decomposition into a single‐stage process. The integration of crystalline MMCs into CSPs significantly enhanced the burn rate, demonstrating the potential of the developed material as an effective propellant ingredient. The high surface area and abundance of exposed metal cations in the perforated Mn2O3 structure stabilized the AP decomposition products, accelerating the combustion reaction.
The Influence of Al12Mg17 Compound Concentration in High‐Energy Mixtures on Thermobaric Systems Characteristics
Authors: Jovanović Biljana , Novaković Nikola , Milošević Govedarović Sanja , Kurko Sandra , Stamenić Ljubisav , Grbović Novaković Jasmina , Elek Predrag
Published: February 2025

The influence of the concentration of Al12Mg17 intermetallic compound in high‐energy mixtures (HEMs) on the performances of thermobaric (TB) systems is investigated. Thermobaric charges based on HEM pressed around the high explosive core were detonated in the open area. The pressure measurements of TB and trinitrotoluene reference charges were performed using eight pressure transducers placed around the horizontally positioned charge. A high‐speed camera and image processing technique were used to record a fireball evolution and quantify fireball characteristics. The highest values of overpressure peak and positive phase pressure impulse were obtained for HEM with 37 wt.% of Al12Mg17 content. The fireball image analysis shows satisfactory fireball surface area and duration time for HEM with 37 wt.% of Al12Mg17.
Low Solid‐Loaded Formulation Homogenization Using Dual‐Asymmetric Centrifugation
Authors: Thornby Jiselle , Lighty Aidan , O'Brien Holly , Brockman Samuel , Cabral Amanda , Rhoads Jeffrey , Beaudoin Stephen
Published: February 2025

Dual‐asymmetric centrifugation (DAC) has emerged as an attractive processing technology across industries that process solid‐filled formulations, and it shows great potential to safely and rapidly combine formulation constituents. Legacy processing of such formulations often utilizes high‐shear bladed mixers. However, these mixers are prone to issues such as inhomogeneous mixing due to vessel dead spots, end‐of‐mix viscosity restrictions (requiring materials to be sufficiently inviscid for blades to move through the material), safety concerns arising from the impact and frictional insults among mixer components, and extended mix times. To bypass inherent drawbacks in bladed mixers, the present study has undertaken the development of a mixing protocol using a DAC mixer yielding the most repeatable and safe formulation homogenization of a binder comprised of a 9:1 mass ratio of cellulose acetate butyrate (CAB) to triacetin, with a balance of diethyl ketone (DEK) solvent, filled with 15 wt.% granulated sugar. Six mixing protocols were investigated to identify the protocol yielding the best result in terms of minimal heat generation, most uniform solids dispersion, and the most repeatable mixing evolution in terms of evolved torque, final mixture viscosity, and visual consistency during mixing. After assessing the viability of the protocols explored, a protocol was selected to guide future mixing, and an outlook for developing additional DAC mixing protocols for other materials was proposed. These DAC mixing protocol development principles could be applied to a broader range of formulated products, opening new horizons for future DAC mixing applications.
Unraveling the molecular grammar and the structural transitions underlying the fibrillation of a viral fibrillogenic domain
Authors: Gondelaud Frank , Leval Julien , Arora Lisha , Walimbe Anuja , Bignon Christophe , Ptchelkine Denis , Brocca Stefania , Mukhopadyay Samrat , Longhi Sonia
Published: February 2025

Hendra virus (HeV) is a biosafety level 4 human pathogen belonging to the Henipavirus genus within the Paramyxoviridae family. In HeV, the phosphoprotein‐encoding gene also drives the synthesis of the V and W proteins that are two major players in the host innate immune response evasion. These three proteins share a common intrinsically disordered N‐terminal domain (NTD) and have distinct C‐terminal domains. We recently reported the ability of a short region (i.e., PNT3), located within the shared NTD, to form fibrils. We subsequently identified a PNT3 motif (EYYY) critically involved in fibrillation and deciphered the contribution of each tyrosine to the process. Herein, we combined mutational studies with various biochemical and biophysical approaches to further investigate the molecular mechanisms underlying PNT3 fibrillation. The results show that (i) lysine residues play a critical role in driving fibrillation, (ii) hydrophobic residues affect the nucleation step, and (iii) charge distribution strongly affects the fibrillation propensities. Vibrational Raman spectroscopy data further validated the role of lysine residues in promoting fibrillation and enabled documenting the formation of cross‐β amyloid structures. Altogether, these results illuminate the molecular mechanisms involved in fibril formation and pave the way towards the rational design of inhibitors.
Evaluation of Interstitial Lung Disease Complications Caused by Biologic Agents Using a Spontaneous Adverse Drug Reaction Reporting Database
Authors: Minagi Ayu , Nawa Hideki , Goda Mitsuhiro , Niimura Takahiro , Miyata Koji , Hamano Hirofumi , Zamami Yoshito , Ishizawa Keisuke
Published: February 2025

Interstitial lung disease (ILD) is a clinically relevant adverse event associated with biologic agent use. However, the current incidence of ILD remains unclear as large‐scale risk assessments of biologic agents have not been conducted. The aim of this study was to clarify the association between biologic agent use and ILD development in clinical practice by detecting adverse event signals using a spontaneous adverse drug reaction database. The VigiBase database is used for spontaneous adverse event reporting. The analysis focused on nine biologics used to treat psoriasis, rheumatoid arthritis, and Crohn's disease. The safety of each biologic agent was evaluated using the information component signal detection method. There were 32,520,983 reports in VigiBase, of which 68,489 (0.21%) were for ILD. Signals were mainly detected for tumor necrosis factor‐α inhibitors when the information component for ILD caused by biologic agents was calculated. Comorbidity analysis in patients who developed ILD and analysis of the time from the start of treatment with each drug to ILD onset showed differences for each biologic agent. ILD is a serious adverse effect of biologic agents, and there are several cases in which a causal relationship with ILD development cannot be ruled out. The occurrence of interstitial ILD should be noted when using biologics, particularly TNF‐α inhibitors.
Influence of the flammable cloud geometry on the gas explosion effects
Authors: Daubech Jérôme , Hebrard Jérôme , Leprette Emmanuel
Published: February 2025

In the context of industrial large cloud explosions such as the Buncefield accident, it is commonly accepted that the flammable cloud spreads over a large area on the ground but has a limited height. This can, therefore, be considered as the limiting dimension of the cloud. In this work at a small scale, Leyer highlighted the influence of the limited height of the flammable cloud in the case of cylindrical cloud explosions. Without prejudging the combustion mechanisms, this paper aims to present the influence of this limited dimension of the flammable cloud on the flame dynamics to assess more precisely the overpressure distances of a UVCE by better determining the energy involved in the explosion. The analysis is based on comparing the flame position over time from the fast video films and the overpressure signals recorded in the flammable clouds. The explosions examined are methane and hydrogen‐free jets, methane jets interacting with the ground and rows of obstacles, and large propane clouds obstructed by rows of tree trunks.
Development of a Joint Tumor Size–Overall Survival Modeling and Simulation Framework Supporting Oncology Development Decision‐Making
Authors: Struemper Herbert , Rathi Chetan , Muliaditan Morris , Goulooze Sebastiaan C. , Franzese Richard C. , Mantero Alejandro , Melhem Murad , Post Teun M. , Visser Sandra A. G.
Published: February 2025

Tumor size–overall survival (TS‐OS) models can support decision‐making in oncology drug development by predicting long‐term OS based on TS data from early data cuts and baseline patient factors. The current work describes the development of a TS‐OS framework capable of predicting OS across a variety of treatment modalities and mechanisms of action in patients with non‐small cell lung cancer from seven clinical studies. The presented framework jointly models TS with a bi‐exponential Stein model and OS with an accelerated failure time log‐normal survival model. In the corresponding link function between TS and OS, the most significant predictor of OS was the tumor growth rate (kg), applied via an Emax function. Time to tumor growth and baseline TS were additional TS predictors informing OS. Albumin, total protein, and neutrophil‐to‐lymphocyte ratio were selected from the tested baseline factors as the most significant predictors of OS. Significant baseline covariates for the TS model included number of target lesions on baseline TS, tumor PD‐L1 expression on tumor shrinkage rate, and lactate dehydrogenase levels on kg. The TS‐OS framework model adequately describes the OS distributions within this specific set of treatment modalities—chemotherapies, immuno‐oncology treatments, and combinations thereof—using a single treatment‐independent link function, supporting the use of the framework to support evaluation and design of future studies. Our findings contribute to a body of literature exploring and qualifying TS‐OS modeling as a methodology capable of supporting and accelerating oncology drug development.
Tutorial on Conditional Simulations With a Tumor Size‐Overall Survival Model to Support Oncology Drug Development
Authors: Goulooze Sebastiaan C. , Muliaditan Morris , Franzese Richard C. , Mantero Alejandro , Visser Sandra A. G. , Melhem Murad , Post Teun M. , Rathi Chetan , Struemper Herbert
Published: February 2025

The gold standard for regulatory approval in oncology is overall survival (OS). Because OS data are initially limited, early drug development decisions are often based on early efficacy endpoints, such as objective response rate and progression‐free survival. Tumor size (TS)‐OS models provide a framework to support decision‐making on potential late‐stage success based on early readouts, through leveraging TS data with limited follow‐up and treatment‐agnostic TS‐OS link functions, to predict longer‐term OS. Conditional simulations (also known as Bayesian forecasting) with TS‐OS models can be used to simulate long‐term OS outcomes for an ongoing study, conditional on the available TS and OS data at interim data cuts of the same study. This tutorial provides a comprehensive overview of the steps involved in using such conditional simulations to support better informed drug development decisions in oncology. The tutorial covers the selection of the TS‐OS framework model; applying the TS‐OS model to the interim data; performing conditional simulations; generating relevant output; as well as correct interpretation and communication of the output for decision making.
Novel TiPdC Half‐Heusler Alloys with High Thermoelectric Performance for High‐Grade Waste Heat Energy Harvesting
Authors: Subramani Arulpandi , Vairapperumal Tamilmani , M Srinivasan , K Klinton Brito
Published: February 2025

n‐type β‐TiPdC (TPC) half‐Heusler (HH) alloys recover waste at high‐temperature heat energy from industries, thermal energy plants, and nuclear energy plants. Therefore, this article thoroughly investigates the structural, mechanical, electronic, and thermoelectric properties of novel polymorphic HH TPC alloys using density functional theory and Boltzmann transport theory. The optimal structural parameters are obtained from the energy–volume curves. Negative formation energy (EForm) and formation enthalpy (ΔH) demonstrate that these alloys can be prepared experimentally. Excellent ductility and hardness, i.e., mechanical stability is verified by Born–Huang stability criteria. Semimetallic (α, β) and semiconducting (γ, Eg = 0.99 eV) behaviors are established from their band structure and density of states. n‐type β‐TPC exhibits the highest figure of merit (ZT = 0.79) at 1000 K for its high‐power factor (PF) and low total thermal conductivity (Kt). High PF is reflected by the effective mass effect, high Seebeck coefficient (S), electrical conductivity (σ), and band alignment that lead to low Kt.
Novel Fault Diagnosis Method for Rolling Bearing Based on Voiceprint Recognition With FasterNet‐CAM
Authors: Puzhou Wang , Yanghui Lin , Yejun Li , Yin Li , Yingkui Gu
Published: February 2025

Contact measuring tools are not suitable in some specific working environments, such as high temperature or chemical metallurgical equipment, when non‐contact sensors should be considered. In this study, a rolling bearing fault diagnosis method based on voiceprint recognition is proposed. The original signal is converted into a Mel‐spectrum that can characterize the voiceprint characteristics which based on the features of human hearing, the idea of partial convolution is used for further feature extraction, and then input into the enhanced FasterNet network for classification. The Group‐CAM is integrated with the FasterNet network to confirm the significant portions of the voiceprint associated with the decision, thereby conforming the validity of the model's judgment throughout the recognition process. The experimental results show that the proposed method has an accuracy of 99.4%, a reasoning time of 4.48 s, and a throughput of 223.3 fps after iteration, which is optimal in the compared experiment, indicating that the model meets the lightweight requirement and can identify the acoustic signals of faulty bearings effectively. The method also intuitively highlights the key parts of the acoustic signals, which ensures that the decision‐making process of the model is transparent and trustworthy and enhances the interpretability and reliability of the diagnostic process.
Investigating the nature of soil carbohydrates and amino compounds with liquid chromatography
Authors: Chantigny Martin H. , Olk Daniel C. , Angers Denis A.
Published: February 2025

Carbohydrates, amino acids, and amino sugars are constituents of soil organic matter (SOM) that are involved in the dynamics and transformation of soil carbon and nitrogen. Moreover, their quantification can shed light on either their plant or microbial origin. Various methods exist to quantify and characterize soil carbohydrates, amino sugars, and amino acids. Selection of a method often balances the goals of rapid high throughput of simpler methods versus greater accuracy of more laborious methods. Here we emphasize chromatographic approaches when describing updated methodologies to extract and purify soil carbohydrates, amino sugars, and amino acids. We recommend hot acid hydrolyses to extract all three classes of compounds, with specific acid types depending on the targeted molecules. An efficient analytical approach for carbohydrates and amino acids is anion chromatographic separation coupled with pulsed amperometric detection. Pulsed amperometry is an especially precise mode of detection that does not involve complex derivatization steps. For analysis of amino sugars, we recommend separation by high‐performance liquid chromatography in combination with manual derivatization and detection by fluorescence. This approach was proven robust for field studies and avoids the tedious derivatization steps required for analysis by gas chromatography. A case study illustrates how the quantities and relative proportions of these compounds can shed light on the processes driving SOM responses to management in different soil types.
Sustainable Development as A Win–Win Development: A Hong Kong Empirical Study of the Tai Kwun Heritage Project
Authors: Chau K. W. , Da Huo Derek , Davies Stephen N. G. , Lorne Frank T. , Lai Lawrence W. C.
Published: February 2025

This empirical study of the value‐enhancing effects of a new innovative hub for art, culture, and heritage experiences (arts hub) reusing the heritage buildings of an old prison, an ex‐police station cum detention centre called “Tai Kwun” (Big Station), on neighboring residential properties, treats sustainable development as a developmental process to achieve a “win–win” production of two originally mutually exclusive environmental goods by transforming negative externalities into positive ones, as encapsulated in Yu's model. The study demonstrates the win–win idea from a neo‐institutional economic perspective. The empirical results of a regression analysis, based on a total of 1541 sets of transaction records of residential units in the vicinity of Tai Kwun transacted between January 1993 to December 2023, showed that the hub was a win–win solution for heritage conservation and residential development.
A Double Machine Learning Approach for the Evaluation of COVID‐19 Vaccine Effectiveness Under the Test‐Negative Design: Analysis of Québec Administrative Data
Authors: Jiang Cong , Talbot Denis , Carazo Sara , Schnitzer Mireille E.
Published: February 2025

The test‐negative design (TND), which is routinely used for monitoring seasonal flu vaccine effectiveness (VE), has recently become integral to COVID‐19 vaccine surveillance, notably in Québec, Canada. Some studies have addressed the identifiability and estimation of causal parameters under the TND, but efficiency bounds for nonparametric estimators of the target parameter under the unconfoundedness assumption have not yet been investigated. Motivated by the goal of improving adjustment for measured confounders when estimating COVID‐19 VE among community‐dwelling people aged years in Québec, we propose a one‐step doubly robust and locally efficient estimator called TNDDR (TND doubly robust), which utilizes cross‐fitting (sample splitting) and can incorporate machine learning techniques to estimate the nuisance functions and thus improve control for measured confounders. We derive the efficient influence function (EIF) for the marginal expectation of the outcome under a vaccination intervention, explore the von Mises expansion, and establish the conditions for ‐consistency, asymptotic normality, and double robustness of TNDDR. The proposed estimator is supported by both theoretical and empirical justifications.
Modeling the Restricted Mean Survival Time Using Pseudo‐Value Random Forests
Authors: Schenk Alina , Basten Vanessa , Schmid Matthias
Published: February 2025

The restricted mean survival time (RMST) has become a popular measure to summarize event times in longitudinal studies. Defined as the area under the survival function up to a time horizon , the RMST can be interpreted as the life expectancy within the time interval . In addition to its straightforward interpretation, the RMST allows for the definition of valid estimands for the causal analysis of treatment contrasts in medical studies. In this work, we introduce a non‐parametric approach to model the RMST conditional on a set of baseline variables (including, e.g., treatment variables and confounders). Our method is based on a direct modeling strategy for the RMST, using leave‐one‐out jackknife pseudo‐values within a random forest regression framework. In this way, it can be employed to obtain precise estimates of both patient‐specific RMST values and confounder‐adjusted treatment contrasts. Since our method (termed “pseudo‐value random forest”, PVRF) is model‐free, RMST estimates are not affected by restrictive assumptions like the proportional hazards assumption. Particularly, PVRF offers a high flexibility in detecting relevant covariate effects from higher‐dimensional data, thereby expanding the range of existing pseudo‐value modeling techniques for RMST estimation. We investigate the properties of our method using simulations and illustrate its use by an application to data from the SUCCESS‐A breast cancer trial. Our numerical experiments demonstrate that PVRF yields accurate estimates of both patient‐specific RMST values and RMST‐based treatment contrasts.
In Vitro and In Silico Evaluation of Anticancer Potential and Apoptotic Activity of Benzimidazole‐Based Compounds
Authors: Messaoudi Sabri , Alminderej Fahad M. , Almuhaylan Hind R. , Alosaimi Abdulelah H. , A. Almahmoud Suliman , Alfaifi Mohammad Y. , Elbehairi Serag Eldin I. , Shati Ali A. , Mohammed Hamdoon A. , Aroua Lotfi M.
Published: February 2025

In this study, two series of benzimidazole derivatives were evaluated for their anticancer activity. The first series of benzimidazole–urea was achieved from the condensation of benzimidazole aniline 1 with a variety of isocyanates. The second series was elaborated from the cycloaddition reaction of benzophenone diamine with appropriate arylaldehydes. The in vitro cytotoxic and antiproliferative properties of various benzimidazole derivatives were assessed for three specific cancer cell lines: MCF‐7, HCT116, and HePG2. Particularly, the results revealed that compounds 6b and 6c exhibited excellent activity against the three cancer cell lines, MCF‐7, HePG2, and HCT‐116, with IC50 ranging from 0.3 ± 0.01 to 0.1 ± 0.02 µg/mL for MCF‐7, 0.5 ± 0.1 to 0.3 ± 0.1 µg/mL for HePG2, and 0.2 ± 0.01 to 0.06 ± 0.001 µg/mL for HCT‐116. The existence of the hydroxyl and bromine moiety at the para position, the appropriate bromine radius (r(Br) = 1.83 Å) for derivative 6b, and the hydroxylated group (r(O) = 1.52 Å for oxygen) for compound 6c were taken into consideration when interpreting this finding. The docking analysis demonstrates that compounds 3e, 6b, 6c, and 6e interact with key residues in the catalytic region of caspase 3, a crucial enzyme involved in apoptosis.
In Silico Identification of Potential Inhibitors for Dengue Virus NS5 Methyltransferase: Molecular Docking, Dynamics, DFT, and ADME Analysis
Authors: Das Bhanuranjan , Pal Purna Chandra , Upadhyay Anjali A
Published: February 2025

Molecular dynamics (MD) simulations, confirmed the stablity of these inhibitor complexes under physiological conditions, with free energy landscape analysis further supporting their thermodynamic stability. Density functional theory (DFT) study revealed that CNP0019696 and the reference compound exhibited favorable electronic properties for strong binding interactions. Additionally, in silico ADME (absorption, distribution, metabolism, and excretion) analysis suggested favorable physicochemical properties, indicating good drug‐like characteristics and bioavailability. Among the candidates, CNP0014493 and CNP0014756 emerged as the most promising, demonstrating significant potential as therapeutic agents for dengue treatment. These findings underscore the importance of targeting NS5‐MTase in developing effective antiviral therapies and highlight the potential of phytocompounds in contributing to the global fight against DENG.
Structural Reactivity of Diimine‐Dioxime Molecules in Anticancer Research: Quantum Chemical Insights, Molecular Modeling and ADMET Studies
Authors: YILMAZ Zeliha Nur , DEDE Bülent
Published: February 2025

This study carried out quantum chemical calculations and molecular modeling studies of five diimine‐dioxime molecules (1–5). The optimized molecular geometries, HOMOs–LUMOs and molecular electrostatic potential (MEP) diagrams of the molecules were calculated at the DFT/B3LYP/6–311G(d,p) level of theory. The calculated global reactivity parameters revealed that the hardest and most stable molecule is 1 (η = 1.897 eV), while the softest and most chemically reactive molecule is 2 (S = 1.621 eV−1). All compounds in silico ADMET and drug‐likeness parameters were generally within acceptable limits and all compounds except 3 were considered to have good oral bioavailability. Molecular docking studies were also performed using VEGFR2 (PDB ID: 2XIR) and EGFR (PDB ID: 1M17) proteins to predict the potential anticancer properties of the molecules. All binding energies obtained in molecular docking studies were between −7.8 and −9.7 kcal/mol. The behavior of the 2–2XIR complex with the best binding energy value of −9.7 kcal/mol under physiological conditions was performed by molecular dynamics (MD) simulation for 100 ns. The RMSD, RMSF, SASA, Rg, and hydrogen bonding parameters obtained by MD simulation confirmed the conformational stability of the 2–2XIR complex. All the results indicated that molecule 2 has the potential to contribute to studies on discovering new anticancer agents.
One‐Step Synthesis of Molybdenum Disulfide and Mechanism for Effective Adsorption of Cationic Dyes
Authors: Wang Xin , Feng Tao , Wu Si
Published: February 2025

This paper reports on the one‐step synthesis of molybdenum disulfide (MoS2) nanosheets with excellent adsorption properties for cationic dyes using a simple hydrothermal method. Compared with 2H‐MoS2 prepared at 220 °C, 1T‐MoS2 prepared at 140 °C showed better adsorption of cationic dyes, with highest adsorption abilities of 605 and 795 mg g⁻¹ for methylene blue and rhodamine b, respectively. The adsorption process follows a pseudo second‐order kinetic model, which indicates that the process is mainly controlled by chemisorption. At the same time, the Langmuir isotherm model is more suitable for describing the adsorption process, suggesting a monolayer adsorption on a homogeneous surface of 1T‐MoS2. Adsorption equilibrium times were observed at 1–6 h in the initial dye concentration range of 100–400 mg/L. The zeta‐potential and XPS results suggest that 1T‐MoS2 possesses a negatively charged surface and abundant oxygen‐containing functional groups, making it more effective in adsorbing cationic dyes. The excellent adsorption performance of 1T‐MoS₂ provides fresh perspectives for the development of MoS₂‐based adsorbents.
Electrocatalytic Reduction of Antibiotic Drug Metronidazole by Green‐Synthesized Silver Nanoparticle–Doped Chitosan
Authors: Anju Anjuman Nesa , Billah Areef , Kazi Gulsan Ara Sathi , Hirose Fumihiko , Ahmmad Bashir
Published: February 2025

Metronidazole (MET) detection in the human body is essential for monitoring therapeutic levels, ensuring accurate dosage, and preventing toxicity or treatment failure. To facilitate this, an electrochemical (EC) sensor is developed by modifying a glassy carbon electrode (GCE) with chitosan (CS) and silver nanoparticles. Silver nanoparticles are synthesized using environmentally friendly green method, involving green tea (Camellia sinensis) leaf extract under microwave irradiation. These nanoparticles are combined with the biodegradable and electroactive natural polymer CS to enhance the analytical performance of the sensor. Cyclic voltammetry analysis of the modified sensor reveals an enhanced reduction peak for MET at −0.397 V, with a maximum current of −0.264 mA observed at pH 1. The EC reduction reaction is controlled by both diffusion and adsorption processes. The sensor demonstrates a linear response to MET concentrations ranging from 0.1 to 1244 µ M, with a detection limit of 0.597 nM. Additionally, it exhibits impressive stability during repeated scans and extended time periods, while its sensitivity is thoroughly evaluated through real sample analyses.
Solvato/Vapochromism‐Based Alcohol Sensing through Metal–Organic Framework Thin Films with Coordinatively Unsaturated Metal Sites
Authors: Toki Yuto , Okada Kenji , Fukatsu Arisa , Tsuji Yuta , Takahashi Masahide
Published: February 2025

Ethanol (EtOH) is a ubiquitous compound with critical applications across various industries, necessitating accurate and reliable sensing for sanitation, quality control, and environmental monitoring. Chromism‐based sensors, known for their simplicity, portability, and real‐time detection capabilities, have faced limitations in EtOH sensing due to insufficient sensitivity, low selectivity, irreversibility, and low color perception. Herein, a groundbreaking solvato/vapochromism‐based EtOH sensor utilizing a Cu‐based metal–organic framework (MOF) thin film, Cu‐MOF‐74, is reported. The conversion of Cu‐based ceramics to Cu‐MOF‐74 facilitates the fabrication of solvato/vapochromic MOF thin films with low light scattering, enabling effective colorimetric analysis. The Cu‐MOF‐74 thin films demonstrate rapid and reversible solvato/vapochromism upon the adsorption of guest molecules, including water and EtOH. This unique behavior allows for the precise and reliable detection of EtOH across the entire concentration range. Furthermore, a smartphone application is developed to detect EtOH concentrations, enabling rapid and convenient evaluation of EtOH levels. The findings represent a significant advancement in EtOH sensing technology, overcoming the limitations of traditional methods. The Cu‐MOF‐74‐based sensor offers a versatile and reliable solution for various applications, including environmental monitoring, process control, and healthcare.