bluuebunny/crossref_metadata_2025 huggingface dataset:
Electrochemical Synthesis of Polyaniline@Nano Zinc Oxide/Modified Multiwalled Carbon Nanotubes Nanocomposite Coating for Solid Phase Microextraction of Some Polycyclic Aromatic Hydrocarbons in Coffee and Grilled Meat
Authors: Baduee Rezvan Askari , Kazemipour Maryam , Ansari Mehdi , Mehdipour Mohammad , Mohamadi Neda
Published: January 2025

Polycyclic aromatic hydrocarbons (PAHs) are carcinogenic compounds resulting from incomplete burning of organic materials. This work describes the successful layer‐by‐layer fabrication of a novel zinc oxide nanocomposite made of zinc oxide nanoparticles, aniline, sodium dodecyl sulfate, and modified multi‐walled carbon nanotubes on a stainless steel wire by electrodeposition. The coating and extraction conditions were screened, optimized, and validated using factorial design and central composite design, respectively. The prepared nanocomposites were characterized by the Fourier‐transform infrared spectroscopy, field‐emission scanning electron microscopy, X‐ray diffraction analysis, and Brunauer‐Emmett‐Teller techniques. It featured a porous structure, excellent heat stability, and a high extraction capacity. It also adhered well to the steel surface. Extracting PAHs was optimized through experimental design. The optimal conditions obtained for extraction were 60 min, 30%, and 30°C for extraction time, amount of salt, and extraction temperature, respectively. The validated method generally showed a linear range between 0.01 to 1.50 µg/mL with a linearity of (R2) of 0.9902–0.9992, limits of detection less than 0.003 µg/mL, limit of quantification lower than 0.010 µg/mL, and relative standard deviation percent less than 45. Recovery values of the analytes in food samples varied between 53.4% and 110.1%. The proposed method was employed in the extraction and determination of some PAHs in some food samples while naphthalene, anthracene, phenanthrene, benzo[a]pyrene, and benz[a]anthracene were detected in certain food samples. Overall, our research suggests a novel nanocomposite as a potential fiber coating that enables high‐capacity PAH extraction.
Emergence of bullous pemphigoid under treatment of mycosis fungoides with mogamulizumab
Authors: Uleer Lukas D. , Loquai Carmen , Shimanovich Iakov , Khandanpour Cyrus , Pruessmann Jasper N. , Terheyden Patrick , Sadik Christian D.
Published: January 2025

Mycosis fungoides (MF) is the most common cutaneous T cell lymphoma. Since 2018, mogamulizumab, an antibody directed to to the chemokine receptor CCR4, is licensed for the treatment of MF. Treatment with mogamulizumab is associated with the precipiation of different types of skin rashes summarized as mogamulizumab‐associated rash. Here, we report the emergence of severe bullous pemphigoid (BP) in a patient suffering from severe MF and treated with mogamulizumab. BP is an autoimmune blistering skin disease causing severe pruritus and subepidermal blisters and, consequently, erosions. It is driven by autoantibodies against BP180, a protein of the dermal‐epidermal adhesion complex. The parallel occurrence of MF and BP led to a bizarre clinical and histopathological presentation blending features of MF and BP. Among others, the patient developed multiple large erosions with a diameter of up to 15 cm, and histopathology featured subepidermal clefts with a mixed dermal infiltrate and atypical lymphocytes forming a superficial dermal lichenoid infiltrate and showing epidermotropism, including above the subepidermal clefts. Immunopathology revealing linear depositions of IgG and C3 at the dermal‐epidermal junction and very high serum levels of anti‐BP180‐NC16A IgG were instrumental to diagnose BP and to distinguish it from mycosis fungoides bullosa, an extremely rare variant of MF. This case illustrates that immunopathology for BP should be conducted in patients with MF developing pruritus and blisters, although both can also be a symptom of MF. Our case alone does not allow determining whether the emergence of BP under mogamulizumab treatment was a mere coincidence or was in a causal relationship. The latter scenario would at BP to the possible clinical presentations of mogamulizumab‐associated rashes.
Broadband and High‐Resolution Mid‐Infrared Spectroscopy Enabled by a Single Phase Change Metasurface
Authors: Xu Yi , Li Yan , Zhong Ruifeng , Li Yu‐Ru , Li Qiang , Wang Dawei , Chen Zhenshi , Pan Jingshun , Li Zhaohui
Published: January 2025

The mid‐infrared (MIR) spectral region is crucial for various applications due to its unique properties, but traditional spectrometers are often bulky. Miniaturized spectrometers face a trade‐off between spectral and spatial resolution. Here, a novel approach to MIR spectroscopy is numerically demonstrated by employing an electrically controlled phase‐change metasurface. This method fully exploits the high optical contrast and the quasi‐continuous phase change characteristics of chalcogenide phase change materials, enabling the construction of a set of spectral responses that provide broad spectral coverage with low correlation, utilizing a single metasurface pixel. With this innovative strategy, a broadband and high‐resolution spectral reconstruction is numerically demonstrated with a full width at half maximum (FWHM) resolution of 20 nm and a dual‐peak resolution of 160 nm within a 2400 nm bandwidth. Furthermore, the potential of the spectral detection scheme is underscored by the successful numerical reconstruction of the absorption peaks of methane and carbon dioxide, highlighting its capability for gas analysis and molecular identification. The integration of the spectral detection method into the field of spectral imaging is anticipated to have significant implications, suggesting substantial improvements in chemical process monitoring, and rapid diagnostic techniques in combustion environments.
3D Printed Metamaterial Absorber Based on Vanadium Dioxide Phase Transition Control Prepared at Room Temperature
Authors: Liu Yixin , Gu Manna , Tian Ying , Liu Jianjun , Zhu Mingmin , Zhou Haomiao , Li Chenxia , Fang Bo , Hong Zhi , Jing Xufeng
Published: January 2025

The thermal phase transition characteristics of vanadium dioxide can effectively regulate the absorption performance of metamaterial absorbers. A petal‐shaped metamaterial absorber is designed based on vanadium dioxide phase transition control and prepared metamaterial samples using surface projection micro stereolithography (PµSL) 3D printing technology. Then, vanadium dioxide thin films are coated on the surface of the metamaterial using the ultrasonic spraying method. The PµSL 3D printing technology makes it possible to prepare high‐precision complex samples, and the ultrasonic spraying method enables the coating of vanadium dioxide thin films at room temperature. To demonstrate the stability of this method, two different metamaterial structures are prepared: planar structure and hemispherical structure. In the experiment, a non‐contact heating method is used to regulate the temperature of the vanadium dioxide thin film, which made the temperature of the metamaterial sample controllable, stable, and uniformly heated. The experimental results show that the designed metamaterial absorber has excellent modulation performance and excellent switching characteristics, which proves the reliability of the method.
Information Acquisition Under Providers' Competition
Authors: Zhai Youzi , Xue Weili , Chen Jing
Published: January 2025

This paper studies the strategic interactions between two competing information providers and two competing downstream firms. We find that when one provider sets a moderate price and the other a higher price, the firm with more private information tends to acquire additional information to extend its advantage. Conversely, the firm with less private information forgoes further acquisitions, weakening competition. Moreover, symmetric providers have incentives to set asymmetric prices due to heterogeneous firms' inclination to differentiate information sources. Although the competition between providers may increase the firms' information acquisition costs, it can simultaneously mitigate heightened competition between firms.
Largest genetic study of bipolar disorder finds links to risks
Authors: Canady Valerie A.
Published: January 2025

Despite high heritability for bipolar disorder, considered a leading contributor to the global burden of disease, the majority of the underlying genetic determinants remain unknown, according to researchers of what's deemed to be the largest genome‐wide study of bipolar disorder.
Impact of Norepinephrine Use on Free Flap Survival in Breast Reconstructive Microsurgery
Authors: Larcher Quentin , Mernier Thibaud , Feigna Marie , Pozzo Victor , Lantieri Laurent
Published: January 2025

Objective

The optimal method for maintaining intraoperative blood pressure during microsurgical procedures remains controversial. While intravenous fluid administration is essential, overfilling can lead to complications. Vasopressor agents are used cautiously due to their vasoconstrictive effects, which could potentially lead to flap failure. Numerous studies have explored the possible link between amine administration and free flap failure, yielding inconsistent results. This study aims to determine whether intraoperative norepinephrine administration increases the flap failure rate in microsurgical breast reconstructions.

Methods

All women (n = 335) who underwent breast reconstruction using DIEP or PAP flaps (n = 400) in 2018 and 2022 in the Plastic Surgery Department of Georges‐Pompidou European Hospital (Paris, France) were included in the study. These patients were classified into two groups based on the intraoperative administration of norepinephrine: the N+ group (50 patients) and the N− group (285 patients). Norepinephrine was administered when systolic blood pressure fell below 90 mmHg or mean arterial pressure (MAP) dropped below 65 mmHg, following fluid resuscitation in 2018, or without prior fluid loading in 2022. The primary endpoint was total flap loss. Secondary endpoints included arterial and venous thrombosis and the need for revision surgeries.

Results

Norepinephrine administration significantly increased the risk of total flap loss in DIEP and PAP flap surgeries (p < 0.001). It also heightened the risk of arterial thrombosis (p = 0.002) and venous thrombosis (p = 0.04), and led to a greater number of revision surgeries (p < 0.001). Subgroup analysis indicated that PAP flaps are more sensitive to norepinephrine compared to DIEP flaps.

Conclusions

Our study suggests that the intraoperative administration of any dose of norepinephrine is associated with an increased risk of flap failure in breast reconstructive microsurgery using DIEP and PAP flaps.
Attix free‐air chamber correction factors computed using EGSnrc
Authors: Stasko John T. , Culberson Wesley S.
Published: January 2025

Background

A cylindrical free‐air chamber, the Attix FAC, is used for absolute air‐kerma measurements of low‐energy photon beams at the University of Wisconsin Medical Radiation Research Center. Correction factors for air‐kerma measurements of specific beams were determined in the 1990s. In order to measure air‐kerma rates of beams in development, new correction factors must be computed.

Purpose

We aimed to compute monoenergetic correction factors for air‐kerma measurements with the Attix FAC that could be used to determine corrections for arbitrary polyenergetic beams.

Methods

A model of the Attix FAC was created in the Monte Carlo code, EGSnrc. The EGSnrc user codes, egs_fac, and egs_chamber, were utilized to calculate aperture transmission, scatter, collecting rod electron loss, and wall electron loss correction factors for incident monoenergetic photon beams with energies between 5 and 50 keV. Beam‐specific correction factors were then derived from the monoenergetic correction factors and compared with the currently accepted values.

Results

Correction factors were computed in 0.5 keV intervals. The newly calculated beam‐specific correction factors and the old conventional values agreed within 0.1% for all beams investigated.

Conclusions

The process for determining monoenergetic correction factors for air‐kerma measurements with a free‐air chamber is detailed in this work. Beam‐specific correction factors can then be calculated if photon spectra are known. This process can be carried out for any free‐air chamber, given specific materials and dimensions for modeling.
Predicting brain tumour growth patterns using a novel MRI‐based tumour spread map: application to radiotherapy planning
Authors: Abbasian Parandoush , Ryner Lawrence , McCurdy Boyd , Kakumanu Saranya , Essig Marco , Venugopal Niranjan , Guan James , Pitz Marshall
Published: January 2025

Background

The treatment of glioblastomas (GBM) with radiation therapy is extremely challenging due to their invasive nature and high recurrence rate within normal brain tissue.

Purpose

In this work, we present a new metric called the tumour spread (TS) map, which utilizes diffusion tensor imaging (DTI) to predict the probable direction of tumour cells spread along fiber tracts. We hypothesized that the TS map could serve as a predictive tool for identifying patterns of likely recurrence in patients with GBM and, therefore, be used to modify the delivery of radiation treatment to pre‐emptively target regions at high risk of tumour spread.

Methods

In this proof‐of‐concept study, we visualized the white matter fiber tract pathways within the brain using diffusion tensor tractography and developed an algorithm which mathematically calculates a relative probability index in each voxel, resulting in the generation of the TS map. Based on the information provided by the TS map, the original radiotherapy target volume was then modified to include areas with a higher probability of tumour spread and exclude other areas with a lower probability of spread. A volumetric modulated arc therapy (VMAT) treatment plan was then developed utilizing the modified target volumes and subsequently compared to that using the original target volumes. Follow‐up anatomical imaging obtained 8 months post‐surgery was assessed to validate our findings.

Results

A TS map was generated on a glioblastoma patient demonstrating a relative probability of tumour spread along fiber tracts throughout the brain. The modified planning target volume better covered brain regions with a higher risk of tumour spread while still demonstrating a 21% reduction in volume compared to the original planning target volume, resulting in greater preservation of normal tissue. The modified VMAT plan resulted in an average mean dose to four identified recurrences of 80% of the prescription dose, while the original VMAT plan delivered only 63% of the prescription dose as the average mean dose to the recurrences.

Conclusion

The utilization of tractography and the generation of corresponding TS maps offer a promising approach to predicting patterns of tumour recurrence and optimizing treatment delivery. Further research is needed to validate the predictive value of the TS map on a larger cohort of patients and explore its potential in personalized treatment strategies for GBM patients.
Self‐Attachable and Conductive Hydrogel Adhesive Patch
Authors: Lee Sang‐Woo , Choi Geonjun , Kim Jaeil , Park Seongjin , Kim Somi , Kang Junghwa , Tawfik Salah M. , Jeong Hoon Eui
Published: January 2025

Hydrogels have emerged as promising materials for flexible and wearable devices due to their mechanical softness and biocompatibility. However, conventional hydrogels often fail to combine multiple essential functions, such as reusable dry adhesion, strong wet adhesion, and electrical conductivity. Here, we present a multifunctional hydrogel patch that integrates polyethylene glycol dimethacrylate (PEGDMA) with poly(3,4‐ethylenedioxythiophene):polystyrene sulfonate (PEDOT:PSS). The hydrogel features bioinspired mushroom‐shaped micropillars that adapt to target surfaces. This design achieves exceptional adhesion strength on both dry (129.2 kPa) and wet surfaces (116.3 kPa), maintaining its performance through 300 cycles. By incorporating PEDOT:PSS into the PEGDMA network, we significantly enhance the electrical conductivity, enabling effective Joule heating. The micropillar architecture ensures uniform contact with various surfaces, leading to efficient heat transfer. This hydrogel patch represents a significant step forward in flexible and wearable technologies by combining mechanical flexibility, electrical and thermal conductivity, and robust, reversible adhesion in a single material.
Buy Crypto, Sell Privacy: An Extended Investigation of the Cryptocurrency Exchange Evonax
Authors: Brechlin Alexander , Schäfer Jochen , Armknecht Frederik
Published: January 2025

Cryptocurrency exchanges have become a multi‐billion dollar industry. Although these platforms are not only relevant for economic reasons but also from a privacy and legal perspective, empirical studies investigating the operations of cryptocurrency exchanges and the behavior of their users are surprisingly rare. A notable exception is a study analyzing the cryptocurrency exchange ShapeShift. While this study described new heuristics to retrieve a significant fraction of trades made on the plaform, its approach relied on identifying cryptocurrency transactions based on previously scraped trade data. This limited the analysis to the timeframe for which data had been acquired and likely led to false negatives in the transaction identification process. In this paper, we replicate and extend previous work by conducting an in‐depth investigation of the cryptocurrency exchange Evonax. Our analysis is based on actual trading data acquired by using a novel methodology allowing to extract detailed information from the public blockchain and the interface of the exchange platform. We are able to identify 30,402 transactions between the launch of Evonax in February 2018 and December 31, 2022, which should be close to a complete set of all transactions. This allows us not only to analyze the business practices of a cryptocurrency exchange but also to identify a number of interesting use cases that are likely to be associated with illegal activity. This paper is an extended version of a research article previously accepted at the CryptoEx Workshop at IEEE ICBC 2024.
Investigation on the temperature dependence and mechanism of conductive behavior of conductive natural rubber composite with negative temperature coefficient
Authors: Liu Xingyao , Qi Rongqing , Liu Dewen , Dai Bihui , Liao Wenyuan , Wang Qiongfen
Published: January 2025

Conductive polymer composites (CPCs) often face complex service‐temperature problems. To systematically investigate the influence of temperature on the electrical conductivity and sensing behavior of CPCs, multiwalled carbon nanotube (MWCNT)/natural rubber (NR) composites were studied herein. The research results showed that within the temperature range of −20°C to 60°C, the MWCNT/NR composites had a negative temperature coefficient. Their conductive behavior strengthened with increasing temperature; thus, the composites showed good temperature cycling stability. Increasing temperature was beneficial for the improvement of the monotonicity and symmetry of the resistance–strain response of the composites and the shoulder peak phenomenon. Between 0°C and 60°C, their resistance was less affected by temperature changes and the internal‐charge conduction mechanism was ohmic conduction. Compared with applied voltage and generated strain, temperature more notably influenced charge transport in the composites. Through analytical testing and coarse‐grained molecular dynamics simulation, the systematic mechanism underlying the influence of temperature on the electrical conductivity and sensing behavior of the MWCNT/NR composites was revealed. Further, the influence of thermal expansion and thermal fluctuations on the electrical conductivity of the MWCNT/NR composites was discussed, indicating that thermal fluctuation plays a dominant role. Overall, this research lays a solid foundation for eliminating temperature interference in the sensing response of MWCNT/NR composites and optimizing their sensing response accuracy.

Highlights

Exploring the relationship between temperature and sensing behavior of MWCNT/NR.

Revealing the influence mechanism of temperature on the sensing of MWCNT/NR.

MWCNT/NR exhibits cyclic, stable sensing behavior with negative coefficient.

Stable sensing response significant for temperature compensation.
Lateral crashworthiness of UV‐pultruded hat profiles with 3D printed bio‐inspired inserts
Authors: Ruiz de Eguino Imanol , Saenz‐Dominguez Ivan , Tena Iosu , Sarrionandia Mariasun , Aurrekoetxea Jon
Published: January 2025

This paper investigates the potential of UV pultrusion to produce hat‐shaped profiles reinforced with quasi‐isotropic non‐crimp fabric to withstand lateral loading scenarios that are gaining relevance in automotive applications. Out‐of‐plane crushing tests proved that the new profile capacities were comparable to those from similar composite structures manufactured with less productive prepreg‐based technologies. Additionally, when filling the profiles with a 3D‐printed insert inspired by the trabecular structure of beetle forewings, the synergetic effect achieved avoided the critical failure modes of each component; the yield‐arc post‐failure mode of the hollow profile and the catastrophic blasting of the 3D‐printed insert. This way, the load‐bearing and energy dissipation capacities were improved by 570% and 340%, respectively, with the 82% heavier filled specimens. Three‐point bending tests demonstrated that the quasi‐isotropic reinforcement configuration effectively constrained damage extension, preventing propagation along the hat profiles. The integration of a trabecular insert resulted in a more progressive failure mode, increasing the maximum load by 55% and doubling energy absorption with only a 9% weight penalty. These results support the competitiveness of UV‐pultruded profiles for lateral crashworthiness applications and present the integration of trabecular inserts as a promising strategy to further improve their performance.

Highlights

Hollow and filled profiles were assessed under lateral crush and bending.

Profiles with quasi‐isotropic reinforcement were manufactured by UV pultrusion.

Lateral crashworthiness of UV pultruded profiles was comparable to prepreg parts.

Bio‐inspired 3D printed inserts enhanced the lateral performance of hat profiles.
Tensile properties and failure of hybrid fiber reinforced polymer composite laminate with different fiber types, hybrid ratios, and stacking sequences
Authors: Wang Hangyan , Guo Jiayou , Liu Zhihui
Published: January 2025

Hybrid fiber‐reinforced polymer (HFRP) composites are gaining attention due to their impressive strength and stiffness with low density. However, their high‐strength often comes with reduced toughness, and achieving a balance between these properties involves combining fibers using hybrid methods. This study used fabricating HFRP laminates (carbon/Kevlar, carbon/glass, and carbon/glass/Kevlar) with different stacking sequences and hybridization ratios created through molding, followed by tensile testing to evaluate the mechanical behavior. The results showed that hybridization ratios significantly influenced the tensile strength, modulus, and elongation at break. For example, compared to the single Kevlar fiber composites, the tensile strength and tensile modulus of the laminate with the optimal configuration of carbon/Kevlar fiber‐reinforced composites increased by 102.93% and 131.65%, respectively, and the elongation at break decreased by 76.13%. This improvement was attributed to the synergistic effect of combining carbon fibers with Kevlar fibers through effective hybridization. The stacking sequences also had a significant effect on tensile strength and elongation at break, although the effect on the tensile modulus was weaker. Additionally, the different tensile properties were obtained by inter hybridization between the three types of fibers. Microscopic observations provided insights into the fracture behavior of HFRP, highlighting phenomena such as brittle/ductile fracture, delamination, fiber pullout, crack suppression, and potential interactions. These observations underscored the complex mechanics governing the mechanical performance of HFRP.

Highlights

The tensile properties of HFRP laminates with carbon fiber, glass fiber, and Kevlar fiber hybrids are studied.

The effect of hybridization parameters on the tensile properties of HFRP are studied.

Indicators of the tensile properties of HFRP laminates are compared and analyzed.

The hybrid effect and interaction failure mechanism of HFRP are revealed.
Advances in Prenatal Cell‐Free DNA Screening for Dominant Monogenic Conditions: A Review of Current Progress and Future Directions in Clinical Implementation
Authors: Liao Jun , Xu Naixin , Gao Harry , Hardy Tristan , Levy Brynn , Mehta Lakshmi , Choy Kwong Wai , Huang Hefeng , Zhang Jinglan
Published: January 2025

Prenatal cell‐free DNA (cfDNA) screening has advanced significantly, extending beyond detecting aneuploidies to sub‐chromosomal copy number variations. However, its application for screening dominant single‐gene conditions, often caused by de novo variants, remains underutilized in the general obstetric population. This study reviews recent data and experience on prenatal cfDNA screening for dominant monogenic conditions using multiple‐gene panels, highlighting its potential to enhance early detection and management of genetic disorders. Integrating comprehensive cfDNA screening into routine prenatal care could complement current imaging techniques and standard prenatal cfDNA screening, which may overlook pre‐symptomatic fetuses with dominant monogenic conditions in early gestation. Despite promising initial results, further research is needed to confirm the clinical validity and utility of cfDNA screening for these conditions. Larger and more diverse studies are necessary to assess the broader applicability of this technology. In addition, key challenges such as access, genetic counseling, ethical considerations, and policy development need to be addressed. A comprehensive approach, including rigorous test design, informed consent, and robust counseling, is essential for the successful adoption of expanded cfDNA screening, ultimately improving clinical outcomes.
Effect of polyethylene glycol on rheological, thermo‐mechanical, and tribological behavior of epoxy
Authors: Singh Ankita , Chamola Rahul , Goyat M. S. , Paul Bappi , Das Subhankar
Published: January 2025

Over the past few years, polyethylene glycol (PEG) has been recognized as an effective blend to enhance the mechanical properties of brittle epoxy. However, the literature contains limited systematic studies evaluating PEG's role in improving epoxy performance. Therefore, a systematic approach was employed in the present study to assess the impact of varying weight percentages of PEG on the viscosity, thermo‐mechanical, and tribological properties of epoxy. Adding 10 wt% PEG (PEG‐10) in epoxy is identified as the threshold limit. With PEG‐10, the viscosity significantly decreased by approximately 78%, while fracture toughness, tensile strength, tensile modulus, and failure strain improved by 59.5%, 38.5%, 37.8%, and 54%, respectively, compared to neat epoxy. Additionally, the wear rate was significantly reduced by 92% compared to neat epoxy, though thermo‐mechanical and flexural properties were slightly compromised. Furthermore, the failure mechanisms of the tensile fracture surfaces and wear tracks of epoxy–PEG blends were examined to understand PEG's role more comprehensively.

Highlights

A Significant drop in the viscosity of epoxy resin is achieved with the help of PEG‐400.

PEG‐400 is mixed with epoxy resin to improve its fracture toughness and tensile properties.

A 92% reduction is observed in the wear rate when PEG‐400 is mixed with epoxy resin at 10 wt%.
Effect of rubber type and accelerator content on polymer–filler interactions of silica‐reinforced vulcanizates
Authors: Jia Weijie , Lin Feifei , Zhong Liang , Zhang Hao , Liu Feng , Li Zhibo
Published: January 2025

Quantitatively characterizing the interactions between silica and polymers is crucial, as they significantly influence various essential tire performance metrics, including strain‐stress properties, hysteresis, and abrasion resistance. In this study, the difference in cross‐link densities observed following ammonia treatment and hydrofluoric acid treatment serves to elucidate the chemical interactions between silica and polymer. A swelling test is employed to assess the total cross‐link density, while the ammonia‐modified toluene equilibrium swelling method facilitates the calculation of physical interaction between silica and polymer. The investigation into the effects of rubber type on the structure of vulcanizates demonstrates that matrix cross‐link density, chemical interactions, and total cross‐link density of natural rubber (NR) vulcanizates filled with modified silica are highest. An increase in the content of accelerators enhances both the matrix cross‐link density and the chemical interaction in styrene butadiene rubber (SBR) vulcanizates filled with modified silica. For comparative purposes, the structural characteristics and mechanical performance of unmodified silica‐filled vulcanizates are also discussed. Furthermore, the relationship between the structure and physical properties of the vulcanizates is elucidated.

Highlights

Chemical interaction of modified silica filled natural rubber (NR) vulcanizate is highest.

Physical interaction evidently decreases after adding Bis[3‐(triethoxysilyl)propyl] tetrasulfide (TESPT) in NR vulcanizates.

For vulcanizates with TESPT, more accelerators, higher chemical interaction.

Higher matrix cross‐links rather than chemical interaction apt to reduce tanδ.
One‐Step Synthesis of Multi‐Block Copolymers of Isotactic Polypropylene (iPP) and Theoretical Studies on the Regioselectivity and Stereoselectivity of Polypropylene
Authors: Zhao Xingyue , Li Han , Liu Jingjiao , Wang Kefeng , Zhang Shaomeng , Dou Tongtong , Li Jiayong , Yu Jicheng , Li Hongming , Wang Jing , Gai Chaojie , Chen Shangtao , Li Shuanhong , Huang Qigu
Published: January 2025

For multi‐block copolymers, using a one‐step synthesis route can avoid repeating addition of monomers during the reaction, thereby preventing the contamination of polymerization reaction and the accidental termination of the polymer chain. For this purpose, described herein is a simple and efficient approach for synthesizing topological structure multi‐block copolymers of isotactic polypropylene by copolymerizing ethylene, propylene and higher α‐olefins by [N, Si, N, P] multi‐chelated complexes ({P(C6H5)2‐N(C6H5)‐(CH3)2Si‐N‐2,4,6‐(F)3C6H2}ZrCl3). In this contribution, the complexes are found to exhibit high polymerization activity (up to 9.5 × 106gP (mol ∙ Zr)−1 ∙ h−1) and relatively high incorporation content of 1‐octene (up to 15 mol%). Density functional theory (DFT) was used to study the mechanism of copolymerization reaction. The results showed that propylene monomer is more prone to 1,2‐insertion in kinetics to obtain iPP. Different lengths of iPP segments in the copolymer (terpolymer) chain not only led to different melting points but also block the terpolymer of propylene, ethylene and higher α‐olefins. Enhancing α‐olefins and ethylene units within the copolymer chain will also destroy the layered polypropylene crystals. Furthermore, the crystallizable polyethylene segment was not observed, implying that ethylene only participates in forming the random segments in the copolymer chains. Most importantly, polypropylene thermoplastic elastomer with good elasticity can be produced by the copolymerization of propylene with ethylene and 1‐octene.
CaXML: Chemistry‐informed machine learning explains mutual changes between protein conformations and calcium ions in calcium‐binding proteins using structural and topological features
Authors: Zhang Pengzhi , Nde Jules , Eliaz Yossi , Jennings Nathaniel , Cieplak Piotr , Cheung Margaret S.
Published: January 2025

Proteins' flexibility is a feature in communicating changes in cell signaling instigated by binding with secondary messengers, such as calcium ions, associated with the coordination of muscle contraction, neurotransmitter release, and gene expression. When binding with the disordered parts of a protein, calcium ions must balance their charge states with the shape of calcium‐binding proteins and their versatile pool of partners depending on the circumstances they transmit. Accurately determining the ionic charges of those ions is essential for understanding their role in such processes. However, it is unclear whether the limited experimental data available can be effectively used to train models to accurately predict the charges of calcium‐binding protein variants. Here, we developed a chemistry‐informed, machine‐learning algorithm that implements a game theoretic approach to explain the output of a machine‐learning model without the prerequisite of an excessively large database for high‐performance prediction of atomic charges. We used the ab initio electronic structure data representing calcium ions and the structures of the disordered segments of calcium‐binding peptides with surrounding water molecules to train several explainable models. Network theory was used to extract the topological features of atomic interactions in the structurally complex data dictated by the coordination chemistry of a calcium ion, a potent indicator of its charge state in protein. Our design created a computational tool of CaXML, which provided a framework of explainable machine learning model to annotate ionic charges of calcium ions in calcium‐binding proteins in response to the chemical changes in an environment. Our framework will provide new insights into protein design for engineering functionality based on the limited size of scientific data in a genome space.
Conformational dynamics in specialized C2H2 zinc finger domains enable zinc‐responsive gene repression in S. pombe
Authors: Wadhwa Vibhuti , Jamshidi Cameron , Stachowski Kye , Bird Amanda J. , Foster Mark P.
Published: January 2025

Loz1 is a zinc‐responsive transcription factor in fission yeast that maintains cellular zinc homeostasis by repressing the expression of genes required for zinc uptake in high zinc conditions. Previous deletion analysis of Loz1 found a region containing two tandem C2H2 zinc‐fingers and an upstream “accessory domain” rich in histidine, lysine, and arginine residues to be sufficient for zinc‐dependent DNA binding and gene repression. Here we report unexpected biophysical properties of this pair of seemingly classical C2H2 zinc fingers. Isothermal titration calorimetry and NMR spectroscopy reveal two distinct zinc binding events localized to the zinc fingers. NMR spectra reveal complex dynamic behavior in this zinc‐responsive region spanning time scales from fast 10−12–10−10 to slow >100 s. Slow exchange due to cis‐trans isomerization of the TGERP linker results in the doubling of many signals in the protein. Conformational exchange on the 10−3 s timescale throughout the first zinc finger distinguishes it from the second and is linked to a weaker affinity for zinc. These findings reveal a mechanism of zinc sensing by Loz1 and illuminate how the protein's rough free‐energy landscape enables zinc sensing, DNA binding and regulated gene expression.
NumSimEX: A method using EXX hydrogen exchange mass spectrometry to map the energetics of protein folding landscapes
Authors: Flint Jasper A. G. , Witten Jacob , Han Isabella , Strahan John , Damjanovic Jovan , Song Nevon , Poterba Tim , Cartagena Alexis Jaramillo , Hirsch Angelika , Ni Tony , Sohl Julie L. , Wagaman Amy S. , Jaswal Sheila S.
Published: January 2025

Hydrogen exchange mass spectrometry (HXMS) is a powerful tool to understand protein folding pathways and energetics. However, HXMS experiments to date have used exchange conditions termed EX1 or EX2 which limit the information that can be gained compared to the more general EXX exchange regime. If EXX behavior could be understood and analyzed, a single HXMS timecourse on an intact protein could fully map its folding landscape without requiring denaturation. To address this challenge, we developed a numerical simulation method called NumSimEX that models EXX exchange for arbitrarily complex folding pathways. NumSimEx fits protein folding dynamics to experimental HXMS data by iteratively comparing the simulated and experimental timecourses, allowing for determination of both kinetic and thermodynamic protein folding parameters. After analytically verifying NumSimEX's accuracy, we demonstrated its power on HXMS data from beta‐2 microglobulin (β2M), a protein involved in dialysis‐related amyloidosis. In particular, using NumSimEX, we identified three‐state kinetics that near‐perfectly matched experimental observation. This proof‐of‐principle application of NumSimEX sets the stage for harnessing HXMS to expand our understanding of proteins currently excluded from traditional protein folding methods. NumSimEX is freely available at https://github.com/JaswalLab/NumSimEX_Public.
Deployment and transcriptional evaluation of nitisinone, an FDA‐approved drug, to control bed bugs
Authors: Sterkel Marcos , Tompkin Joshua , Schal Coby , Guerra Luiza R. M. , Pessoa Grasielle C. D. , Oliveira Pedro L. , Benoit Joshua B.
Published: January 2025

BACKGROUND

Bed bugs are blood‐feeders that rapidly proliferate into large indoor infestations. Their bites can cause allergies, secondary infections and psychological stress, among other problems. Although several tactics for their management have been used, bed bugs continue to spread worldwide wherever humans reside. This is mainly due to human‐mediated transport and their high resistance to several classes of insecticides. New treatment options with novel modes of action are required for their control. In this study, we evaluated the use of nitisinone (NTBC), an FDA‐approved drug, for bed bug control in an insecticide‐susceptible (HH) and an insecticide‐resistant (CIN) population.

RESULTS

Although NTBC was lethal to both populations when administered orally or applied topically in very low doses, we observed a slight but significant resistance in the CIN population. Transcriptomic analysis in both populations indicated that NTBC treatment elicited a broad suppression of genes associated with RNA post‐transcriptional modifications, translation, endomembrane system, protein post‐translational modifications and protein folding. The CIN population exhibited higher adenosine triphosphate (ATP) production and xenobiotic detoxification. Feeding studies on a mouse model suggest that NTBC could be used as a control method of bed bugs by host treatment.

CONCLUSION

The results indicate that NTBC can be used as a new active ingredient for bed bug control by topical or oral treatment and shed light on the molecular mechanisms of suppressed tyrosine metabolism following NTBC treatment. © 2025 Society of Chemical Industry.
Foliar spray double‐stranded RNA targeting HvIAP1 induces high larval and adult mortality in Henosepilachna vigintioctopunctata
Authors: Ji Tianliang , Li Langcheng , Zhu Xin , Wang Guirong
Published: January 2025

BACKGROUND

Exogenous double‐stranded RNA (dsRNA) has the potential to serve as an effective alternative to conventional chemical pesticides for the control of insect pests, because it can specifically inhibit essential gene expression in these organisms. However, identifying suitable gene targets remains a crucial step in the development of RNA interference (RNAi)‐based pest control strategies.

RESULTS

In this study, three apoptosis‐related genes were selected to evaluate their potential for RNAi‐induced lethality in Henosepilachna vigintioctopunctata via foliar spray dsRNAs. Our results revealed that silencing of HvIAP1 (inhibitor of apoptosis protein 1) had a significant lethal effect on larvae, whereas silencing of HvAIF1 and HvASPP1 did not, correlating with distinct expression patterns. Larvae ingested leaves sprayed with bacterially expressed dsHvIAP1 at a concentration of 100 ng/cm2 resulting in the impairment of cuticle tanning, cessation of feeding, and ultimately, 100% mortality within 7 days. In addition, the potential of dsHvIAP1 to mediate for adult control was also investigated and showed that administration of 200 ng/cm2 dsHvIAP1 resulted in 100% adult mortality within 9 days, accompanied by a significant reduction in leaf consumption and suppression of HvIAP1 expression compared with the dsGFP group.

CONCLUSIONS

Our findings demonstrate that HvIAP1 is a highly lethal molecular target with a notable difference in the concentration required for larval and adult mortality. These findings provide a foundation for the future development of RNAi pesticides for environmentally friendly control of H. vigintioctopunctata. © 2025 Society of Chemical Industry.
Nocturnin promotes NADH and ATP production for juvenile hormone biosynthesis in adult insects
Authors: Qiao Lintao , Zhuang Zitong , Wang Yage , Xie Kairui , Zhang Xinyan , Shen Yifan , Song Jiasheng , Zhou Shutang
Published: January 2025

BACKGROUND

Juvenile hormone (JH) is a key endocrine governing insect development, metamorphosis and reproduction. JH analogs have offered great potential for insect pest control. In adulthood, JH titer rapidly increases in the previtellogenic period and reaches a peak in the vitellogenic phase. However, the regulatory mechanisms of JH biosynthesis in corpora allata (CA) of adult insects remain largely unknown.

RESULTS

We observed that the mitochondrial abundance, as well as the levels of NADH (nicotinamide adenine dinucleotide, reduced form) and adenosine triphosphate (ATP), increased in the CA of previtellogenic adults, peaking during the vitellogenic stage. The transcripts of Nocturnin (Noct), which converts nicotinamide adenine dinucleotide phosphate (NADPH) to NADH for ATP production, were more abundant in the CA compared to those of other enzymes involved in conventional NADH‐producing metabolic pathways. The developmental expression pattern of Noct was like that of ATP and NADH level. RNA interference‐mediated knockdown of Noct caused a significant decrease of NADH and ATP contents, along with markedly reduced expression levels of 12 genes involved in JH biosynthesis pathway. Loss of Noct function resulted in remarkably reduced expression of vitellogenin, accompanied by arrested ovarian growth and oocyte maturation.

CONCLUSION

Our results demonstrated that Noct plays a crucial role in high levels of JH biosynthesis in adult insects via regulating NADH and ATP production. The findings reveal a previously unknown aspect of mitochondrial metabolism in JH biosynthesis and provide valuable information for developing pest control strategies targeting hormone pathways. © 2025 Society of Chemical Industry.
Laser‐Textured Polydimethylsiloxane/Multiwalled Carbon Nanotubes Composites for Strain Sensors Resistant to Droplet Interference
Authors: Chen Lie , Tian Yuyang , Li Qianliang , Cheng Jian , Yang Qibiao , Liu Dun
Published: January 2025

Flexible wearable sensors are widely used in various fields with the development of technology. However, it is necessary to consider the interference they may be subjected to in environments such as rainy and humid conditions in practical applications. Superhydrophobic surfaces can effectively improve the stability of flexible sensors in harsh environments. In this study, a method is proposed to achieve the desired superhydrophobic properties for anti‐droplet interference by surface processing of Polydimethylsiloxane/multiwalled carbon nanotubes (PDMS/MWCNT) composites using a simple and cost‐effective nanosecond laser. Through laser processing of the surface, abundant rough structures are obtained, which subsequently alters the wettability of the PDMS/MWCNT surface. The contact angle of the laser‐etched PDMS/MWCNT surface can reach up to ≈157°, and the rolling‐off angle drops to ≈3°, showing excellent superhydrophobic properties. The stability of the prepared superhydrophobic PDMS/MWCNT composites under droplet interference is further studied. The results show that the prepared superhydrophobic surface can make PDMS/MWCNTs well isolated from droplet interference and has excellent corrosion resistance. In addition, the prepared PDMS/MWCNT composite shows good sensitivity (GF = 7.92) and can well detect human motion signals. The research results provide a strategy for improving the reliability and stability of strain sensors in harsh environments.
Noise‐Augmented ℓ0 Regularization of Tensor Regression With Tucker Decomposition
Authors: Yan Tian , Li Yinan , Liu Fang
Published: January 2025

Tensor data are multi‐dimensional arrays. Low‐rank decomposition‐based regression methods with tensor predictors exploit the structural information in tensor predictors while significantly reducing the number of parameters in tensor regression. We propose a method named (Noise Augmentation for regularization on Core Tensor in Tucker decomposition) to regularize the parameters in tensor regression (TR), coupled with Tucker decomposition. We establish theoretically that achieves exact regularization on the core tensor from the Tucker decomposition in linear TR and generalized linear TR. To our knowledge, is the first Tucker decomposition‐based regularization method in TR to achieve regularization in core tensors. is implemented through an iterative procedure and involves two straightforward steps in each iteration—generating noisy data based on the core tensor from the Tucker decomposition of the updated parameter estimate and running a regular GLM on noise‐augmented data on vectorized predictors. We demonstrate the implementation of and its regularization effect in both simulation studies and real data applications. The results suggest that can improve predictions compared with other decomposition‐based TR approaches, with or without regularization and it identifies important predictors though not designed for that purpose.
Transition‐ and Lanthanide‐Metal‐Based Coordination Polymers Offer Efficient Methylene Blue Adsorption
Authors: Moodley Cresten , Mallick Kaushik , Muller Alfred , Williams D. Bradley G.
Published: January 2025

This study presents a novel approach toward wastewater remediation via the synthesis of a series of coordination polymers that combine benzene‐1,4‐dicarboxylic acid, benzene‐1,4‐dihydroxamic acid, and 5‐nitroisophthalic acid linkers with Cu, Cr, Ce, and La metal salts to target efficient methylene blue removal. Through a detailed characterization process using techniques like ¹H NMR, PXRD, FTIR, TGA, SEM‐EDX, ICP‐OES, and BET, the structural and surface properties of these CPs were optimized for stability and enhanced adsorption performance. Notably, the CPs exhibited rapid MB adsorption within 10 min and followed pseudo‐second‐order kinetics, indicating a chemisorption‐driven process. This work advances the field by demonstrating that increased pH significantly improves adsorption capacity and that the Sips model best describes the heterogeneous adsorptive behavior, highlighting a mixed Langmuir–Freundlich mechanism. Furthermore, stability and reusability studies revealed minimal metal leaching in the best‐performing CPs, addressing critical environmental concerns around long‐term CP use. This integrated approach not only fills vital knowledge gaps in CP‐based dye adsorption kinetics but also underscores the potential of these materials as sustainable, scalable, and effective solutions for real‐world water treatment applications.