bluuebunny/crossref_metadata_2025_split huggingface dataset:
Development of biocompatible mesoporous silica materials for enhanced UV protection
Authors: Lee Suk Joong , Lee Young Jae , Lee Ji Yea , Yun Young Sok , Kwon Tae Keun , Jung Inhong 
Published: January 2025

AbstractA new class of mesoporous silica (MPS)‐based biocompatible ultraviolet (UV) protective materials (1–4) has been prepared and characterized. These materials, which include avobenzone (AV)‐encapsulated MPS, were modified with biphenyl‐4‐triethoxysilane and polyethylene glycol (PEG200). Their photostability was tested under a sun‐simulated lamp. It was found that the structure of the material significantly impacts UV protection performance. Specifically, encapsulating AV‐enhanced UV radiation absorption, while the biphenyl layer improved UV‐blocking capabilities. Additionally, the PEG layer increased the materials' biocompatibility. Materials 1–4 demonstrated critical wavelengths of 389 nm and UV‐A/UV‐B ratios ranging from 0.61 to 0.89. Notably, the sun protection factor values were estimated between 6.04 and 17.24. In vivo testing on nude mice showed that untreated skin exhibited significant epidermal thickening due to sunburn. In contrast, skin treated with material 3 did not show any epidermal thickening, being 14 times thinner than unprotected skin. With high stability against photodegradation, materials 1–4 are promising candidates for UV protection applications, with material 3 proving to be the most effective.
Molecular Mechanisms of Magnolol in Gastric Precancerous Lesions: A Computational and Experimental Study
Authors: Yang Yuan , Huang Cuiqin , Li Mengshu , Wen Yuanxiangying , Jiang Yiwei , Li Peiyuan , Ning Xufeng , Jiang Qilin , Zhou Lingshan , Zhou Weiwei , Zeng Bin 
Published: January 2025

The formation of gastric precancerous‐lesions (GPLs) has been identified as a critical step in tumorigenesis, and patients with GPLs have an increased risk of gastric cancer. Magnolol is the primary biphenolic compound in Magnolia officinalis. It possesses various pharmacological properties, such as cardioprotective and neuroprotective properties, and inhibit tumor growth. However, its therapeutic effects on GPLs treatment and the related mechanisms have not yet been studied. To address this, the mechanisms by which magnolol affects GPLs were elucidated via protein‐chemical interaction prediction analysis, molecular docking, molecular dynamics simulation, and experimental verification. GPL‐related targets were obtained from the GeneCards database, whereas magnolol targets were obtained from the STITCH database. The two group of targets were compared by constructing a Venn diagram, and potential key GPL‐related targets of magnolol were identified. Next, the interactions between the active compounds of magnolol and epithelial‐mesenchymal transition (EMT)‐related proteins were evaluated via molecular docking. The protein–compound complexes with the optimal binding affinity were analysed via molecular dynamics simulation. The efficacy and mechanisms of Magnolol in the treatment of GPLs were further assessed using in‐vitro models. Magnolol exerts its pharmacological effects by acting on multiple targets. ERBB2 might be a potential target of magnolol in GPL treatment.
Computational Mining of a Novel Acetyl‐CoA Synthetase for the Biosynthesis of Unnatural Phenylalanine Butyramide
Authors: Fan Xinyu , Chen Pengcheng , Wu Dan , Zheng Pu 
Published: January 2025

AbstractPhenylalanine butyramide (FBA) is an unnatural amide with the potential to be a postbiotic derivative due to its improved organoleptic and physicochemical properties compared to butyric acid and its salts. However, a green biosynthesis method to prepare FBA has not yet been studied. In this study, we mined a novel acetyl‐CoA synthetase from Methanocella arvoryzae (MethACS) for the synthesis of FBA using a sequence‐ and structure‐guided database mining approach that combines solubility prediction with the binding free energy of the protein. MethACS exhibits excellent catalytic performance, pH stability, and good thermophilicity. Using MethACS, 0.35 g/L of FBA could be produced with a 100% conversion rate when the concentration ratio of butyric acid to phenylalaninamide was >1:4. Through density‐functional theory calculations and molecular dynamics simulation, we gained insight into the mechanism of the synthesis of FBA catalyzed by MethACS. Trp264 was further identified as a crucial residue influencing substrate specificity by saturation mutagenesis. Substrate profiling revealed that MethACS can catalyze the formation of amide derivatives of short‐ and medium‐chain fatty acids. This study offers an efficient approach for investigating the biosynthesis of unnatural substances.
Rapid and Sustainable Electrochemical Pd Catalyst Generation from Bulk Metal
Authors: Samoylenko Dmirtiy E. , Lotsman Kristina A. , Rodygin Konstantin S. , Ananikov Valentin P. 
Published: January 2025

AbstractPalladium catalysts constitute a cornerstone of modern chemistry with upmost scientific and industrial impact. Bulk palladium metal itself is chemically inert, and a sequence of chemical transformations has to be utilized to convert the metal into a Pd precatalyst covered by ligands. However, the “cocktail” concept of catalysis discovered recently has shown that Pd systems can efficiently operate in catalysis without the need for a complicated and expensive preinstalled ligand environment. Here, we point out on a green and sustainable process for the generation of Pd active species without the need for waste‐abundant precatalyst‐related chemistry. In this work, an electric current was used to generate an active Pd catalyst from a bulk metal in an ionic liquid medium for the efficient cross‐coupling of aryl iodides/bromides and boronic acids. A synthetically important Suzuki cross‐coupling was utilized as a representative test reaction to confirm the idea. Notably, an electric current is used only at the Pd dissolution stage. Afterwards, the electrodes are removed from the reaction mixture, and a standard reaction procedure can be followed. The reported catalyst preparation process via electrochemical dissolution is potentially compatible with several already existing catalytic methods.
Controlling Sign and Magnitude of Circularly Polarized Luminescence of Axially Chiral Schiff‐Base Boron Difluoride Complexes Bearing Polyethylene Glycol Chains
Authors: Ikeshita Masahiro , Ichinose Miku , Suzuki Daiya , Ono Jungo , Imai Yoshitane , Tsuno Takashi 
Published: January 2025

ABSTRACTThe synthesis, structure, and circularly polarized luminescence (CPL) properties of axially chiral boron difluoride complexes are described. A series of optically pure bis (boron difluoride) complexes were prepared in 5 steps from commercially available (S)‐ or (R)‐BINOL as starting materials. The complexes were found to exhibit similar yellow photoluminescence in solution, regardless of the type of substituents on the nitrogen atoms. Notably, for the complex with polyethylene glycol chains, homogeneous and transparent films were formed by the drop‐cast method, showing intense CPL with a different sign from that of the solution state. Density functional theory (DFT) calculations were performed to understand their photophysical behavior including configuration‐dependent CPL properties.
An Efficient Lattice‐Based Heterogeneous Signcryption Scheme for VANETs
Authors: Jiao Jintao , Guo Lei , Yu Wensen , Yang Sheng , Li Shaozi 
Published: January 2025

ABSTRACTNowadays, vehicular ad‐hoc networks (VANETs) offer increased convenience to drivers and enable intelligent traffic management. However, the public wireless transmission channel in VANETs brings challenges related to security vulnerabilities and privacy leakage, in addition, vehicles produced by different manufacturers may use different cryptosystems such as certificateless cryptosystems (CLCs) and identity‐based cryptosystems (IBC). To address privacy leakage during cross‐cryptosystem communication in VANETs, we propose a lattice‐based heterogeneous signcryption scheme named LHS‐C2I. The scheme facilitates secure multi‐cryptosystem bidirectional communication as CLC‐based vehicles to IBC‐based vehicles and IBC‐based vehicles to CLC‐based vehicles. The confidentiality and authenticity of LHS‐C2I help to prevent the users from privacy leakage during cross‐cryptosystem communication and to authenticate the message integrity and the sender's identity legitimacy. The proposed scheme is proven to achieve Indistinguishability under Chosen Ciphertext Attack (IND‐CCA2) and Existential Unforgeability against Adaptive Chosen Messages Attack (EUF‐CMA) within the random oracle model. Performance analysis demonstrates that LHS‐C2I outperforms existing schemes in terms of computational overhead, communication overhead, and overall security features. It is particularly well‐suited for scenarios requiring secure communication across different cryptosystems in VANETs.
Pnictogen‐Bridged Sulfoximines: Effects of Element and N‐Substituent on Excited‐State Dynamics
Authors: Mizuta Koki , Shimoji Haruki , Fujii Toshiki , Yamamoto Shunsuke , Ohkita Hideo , Naka Kensuke , Imoto Hiroaki 
Published: January 2025

AbstractPnictogen (Pn=As, Sb, Bi)‐bridged sulfoximines were synthesized by introducing phenyl (Ph) and benzyl (Bn) groups onto the nitrogen atom. Single‐crystal X‐ray diffraction analysis and density functional theory (DFT) calculations revealed a weak closed‐shell interaction between Pn and N or O. As‐ and Sb‐bridged sulfoximines with a Bn group exhibited dual fluorescence in solution, while the others primarily showed a single emission. The viscosity and polarity of the solvent significantly affected dual‐emission behavior. DFT calculations demonstrated the excited‐state dynamics, showing that Pn⋅⋅⋅N (or Pn⋅⋅⋅O) interactions were either elongated or shortened upon photo‐excitation, depending on the Pn type and the substituent on N.
Current Trends in Endodontic Clinical Practice in Croatia: A Report From a Croatian National Survey
Authors: Sović Josipa , Šegović Sanja , Matijević Jurica , Pavelić Božidar , Anić Ivica , Tomasic Ivan 
Published: January 2025

ABSTRACTObjectiveTo assess the state of endodontic practices and identify factors influencing the use of modern endodontic techniques among dental practitioners in Croatia.Materials and MethodsA questionnaire was distributed to all dental offices in Croatia, yielding 819 responses (27% response rate). Data were descriptively analyzed and statistically modeled.ResultsNearly 74% of endodontic treatments in Croatia are performed by general practitioners (17 teeth per month per practitioner), while endodontic specialists handle the highest number of treatments per specialist (67 teeth per month, representing 15% of total treatments). 56% of respondents use radiography before the procedure “always” or “almost always” with intra‐oral periapical radiography being the most commonly used technique. Rubber dams are used “never” to “rarely” by 74% of respondents. Apex‐locators are highly prevalent, used “almost always” to “always” by 83% of practitioners. Magnifiers are rarely used, with 63% of respondents reporting they “never” use them. Lasers are never used by 92% of respondents, whereas 59% frequently use engine‐driven instrumentation. 76% of respondents “always” or “almost always” determine the working length of the root canal. Sodium hypochlorite is the most common irrigant (88%), and EDTA for smear layer removal is used by 36% of respondents. The cold lateral condensation is the most popular obturation technique (64%). CBCT is unused by 59% of responders, most probably because it is not accessible.ConclusionsCroatian endodontic practices are comparable to those in countries with similar economic status, but there is substantial potential, particularly among general practitioners, to enhance knowledge and awareness of modern technologies through continuous education. Underused techniques in Croatia include rubber dams, magnifiers, lasers, and CBCT.
Continuous Production of Bifunctional Platform Chemicals From Plant Oils in Water by Cyclodextrin‐Mediated Hydroformylation
Authors: Roth Thomas Friedrich Hubertus , Averbeck Tobias , Daalmann Marvin , Vogt Dieter , Seidensticker Thomas 
Published: January 2025

AbstractPlatform chemicals from renewable resources with broad applications are highly desirable, particularly for replacing fossil‐based monomers. Bifunctional aliphatic ester‐aldehydes, accessible via regioselective hydroformylation of unsaturated oleochemicals, can be converted into linear ω‐amino/ω‐hydroxy esters and dicarboxylic acids—key building blocks for biobased aliphatic polycondensates. However, their success hinges on efficient, economically viable production, with catalyst recycling being critical. We present the Rh‐catalyzed, cyclodextrin‐mediated, aqueous biphasic hydroformylation of methyl 10‐undecenoate (from castor oil) and methyl 9‐decenoate (from rapeseed oil) to produce methyl 12‐oxododecanoate and methyl 11‐oxoundecanoate, respectively, with high yields and productivity. This system allows for efficient catalyst recycling via decantation, maintaining 30 % of its native activity in aqueous biphasic conditions. Reaction conditions were optimized using a tailored experimental design, reducing nearly 200 experiments to 39 without sacrificing predictive accuracy. The optimized conditions were transferred to a continuous miniplant, achieving a low rhodium loss of 0.018 % h−1, with excellent space‐time yields of 76.5 kg h−1 m−3. Rhodium in the product was as low as 79 ppb, with 4.4 kg of product per mg of catalyst lost, marking a significant step in combining hydroformylation‐derived, bio‐based platform chemicals with economic industrial potential.
Vitamin C: Its Role in Cosmeceuticals
Authors: Singh Nupur , Brown Angela N. , Oscherwitz Max , Gold Michael H. 
Published: January 2025

ABSTRACTBackgroundVitamin C is a well‐known product used in cosmeceuticals for its various topical application benefits ranging from antioxidative, antiaging, anti‐inflammatory, and anti‐pigmentary among others. The main problems encountered with vitamin C products include the stability, penetrance into the skin, and tolerance of vitamin C's various forms.AimsThis paper aims to explore current literature on the role of Vitamin C in cosmetic dermatology and present a review on how products have developed for certain purposes and their outcomes.MethodsA literature search was conducted on PubMed reviewing vitamin C in cosmetic and non‐cosmetic formulations and its utility for cosmetic dermatologic conditions. Research produced by various journals was then investigated to highlight its uses and potential in the field.ResultsNumerous studies support the varied claims regarding topical vitamin C, particularly in its role as an antioxidant, antiaging, anti‐pigmentary, and anti‐inflammatory agent. The integration of Vitamin C with other cosmetic ingredients is rapidly developing, ranging from vitamin E and natural plant extracts to several exfoliative acids and growth factors. The cosmetic industry's next steps involve better stabilization to improve the synergistic mechanisms with other ingredients and without lowering its bioavailability, efficacy, or absorption.ConclusionsVitamin C has proven to be a powerful player in cosmetic dermatology, both as a stand‐alone element and in combination with cosmetic ingredients. This review showcases some of the most pertinent clinical studies that support its efficacy in mitigating photoaging, oxidative stress, abnormal pigmentation, and inflammation among other cosmetic concerns, underscoring the promise behind vitamin C.
Experimental Investigation of the Dynamic Impact Failure of Bolted Rock With Different Anchoring Angles
Authors: Qiu Peng‐qi , Wang Wen‐wei , Wang Kai , Ning Jian‐guo , Zhang Xiao‐qiang , Zhao Chun‐li , Xu Qiang , Zong Hai‐tao , Cai Ting‐ting 
Published: January 2025

ABSTRACTBolt support mechanisms represent a key technique to support the surrounding rock in coal mines. In deep rock engineering applications, the bolt‐supported structure of the surrounding rock of a deep roadway under high bearing stress may fail under dynamic loads such as those of blasting vibrations and earthquake motion. In this study, dynamic uniaxial compression tests were conducted on steel bar reinforced rock to investigate the rockbolt performance under dynamic loading. The deformation of the specimen surface and rockbolt was recorded during the test. The strengths and failure modes of the bolted rock samples were investigated. The results show that the bolt and rock deform asynchronously when the bolted specimen is subjected to a dynamic load, and the time of the asynchronous deformation of the specimens with different bolt angles is considerably different. When the stress wave acts along the direction of the bolt, it is more likely to cause the failure of the bolted specimen. Anchorage agents should be employed to realize the synchronous deformation of the bolt and rock mass. The slip and dislocation of the anchorage agent/rock surface and anchorage agent/bolt interface are the key factors influencing the failure of bolted specimens. The influence of a dynamic stress wave on the surrounding rock support structure of a deep roadway can be effectively reduced by improving the antisliding characteristics of the anchoring agent and increasing the bolt density. The research results can provide theoretical guidance and serve as a reference to realize the reinforcement engineering of underground permanent chambers and roadways.
Study on Improving Liquid Carrying Performance of Horizontal Wells With Swirl Jet Composite Device
Authors: Liang Huizhen , Mu Lin , Li Jinyong , Li Chengzhen , Ma Jian 
Published: January 2025

ABSTRACTIn the later stages of horizontal gas well development, due to insufficient formation energy, the stratified flow of gas and liquid in the horizontal section generates a decrease in the well's liquid‐carrying capacity, accumulating liquid in the wellbore. Since the flow pattern of gas–liquid two‐phase flow in horizontal wells is significantly different from that in vertical wells, existing vertical well liquid removal and gas production technologies cannot be directly applied to address the liquid accumulation issues in horizontal wells. This paper presents a swirl jet composite device that, through the combination of a spiral guide belt and an internal flow channel, effectively integrates the jet and vortex effects, capable of transforming the stratified flow in the horizontal section into an annular flow, thereby enhancing the gas well's liquid‐carrying capacity. This study applies a combination of theoretical, experimental, and simulation methods to conduct computational fluid dynamics analysis on the device's ability to improve the gas well's liquid‐carrying capacity. It deeply investigates the flow characteristics of the gas–liquid two‐phase flow within the device. The results indicate that the device can not only achieve gas–liquid separation by transforming the flow regime from laminar to an orderly annular flow but also increase the axial velocity to extend the effective distance of the swirling section. Compared with the case without the device installed, the liquid phase volume fraction at the bottom of the well is reduced by 85.9%, and the liquid holdup is reduced by 38%. This demonstrates that compared to traditional technologies such as gas‐lift dewatering and gas production, the device can enhance the liquid‐carrying capacity of horizontal wells and effectively address the issue of liquid accumulation in horizontal wells. It provides theoretical guidance and a practical basis for future research on applying swirl jet composite devices to improve the liquid‐carrying capacity of horizontal wells.
Evolution of Human Susceptibility to Alzheimer's Disease: A Review of Hypotheses and Comparative Evidence
Authors: August Isabel , Gagneux Pascal , Semendeferi Katerina , Marchetto Maria Carolina 
Published: January 2025

ABSTRACTPrimates rely on memory to navigate both physical and social environments and in humans, loss of memory function leads to devastating consequences. Alzheimer's disease (AD) is a neurodegenerative disease which begins by impacting memory functioning and is ultimately fatal. AD is common across human populations and its prevalence is predicted to rise with increases in the aging population. Despite this, the full AD phenotype has not been observed in any other nonhuman primate species. While a significant amount of research has been devoted to understanding the immediate mechanisms involved in AD pathogenesis in humans, less research has focused on why humans are particularly vulnerable to neurodegenerative diseases like AD. Here we explore hypotheses on the evolution of distinct human susceptibility to AD and place these in the context of findings from comparative neuroanatomical and molecular studies and discuss recent evidence for evolutionary changes protective against AD in the primate lineage.
Thermal Distribution in Fins of Different Geometries With Temperature and Wavelength Dependent Properties
Authors: Kaur Kanwalpreet , Singh Surjan 
Published: January 2025

ABSTRACTIn this research work, we developed a mathematical model of heat transfer for different profiles of fins. This paper investigates heat transfer dynamics in continuously moving fins (rectangular, trapezoidal and concave parabolic), focusing on temperature‐dependent thermal conductivity, heat transfer coefficients, internal heat generation and emissivity that varies with temperature and wavelength. The different values of the heat transfer coefficient capture various types of convection, nucleate boiling, condensation, and radiation effects, while treating thermal conductivity as a linear function of temperature. This problem is converted into a dimensionless form, and we adopted the Legendre wavelet collocation method (LWCM) to get the solution of the fin problem for various profiles. An exact solution in specific cases shows congruence up to seven to eight decimal places with LWCM results. Moreover, our analysis explores the effect of numerous non‐dimensional parameters such as thermal conductivity parameter , Peclet number , surface emissivity parameter B, convention‐conduction parameter , radiation‐conduction parameter , internal heat generation , D fin taper ratio on the temperature profile and fin efficiency were studied in detail. As , , and B, D increases in magnitude, the temperature inside the fin decreases, while higher values of Peclet number (), A, m, and Q cause lower heat transfer rate inside the fin. The results provide significant insights into the complex interplay of thermal processes across different fin geometries, emphasizing the importance of these dependencies for accurate modeling and optimization in thermal management systems.
Parameter‐Tuned Pulsed Wave Photobiomodulation Enhances Stem Cells From Apical Papilla Differentiation: Evidence From Gene and Protein Analyses
Authors: Kang Moon‐Ho , Kim Hong Bae , Chung Jong Hoon , Choung Pill‐Hoon 
Published: January 2025

ABSTRACTThis study examines the effects of pulsed wave photobiomodulation (pwPBM) on the osteogenic differentiation of stem cells from the apical papilla (SCAP). Using 810 nm near‐infrared (NIR) light with 300 Hz pulses and a 30% duty cycle, pwPBM was applied at a total energy density of 750 mJ/cm2. Osteogenesis was evaluated through both in vitro and in vivo analyses. In vitro experiments demonstrated significant enhancement of alkaline phosphatase (ALP) activity, along with upregulation of key osteogenesis‐related genes and proteins, as confirmed by real‐time polymerase chain reaction (PCR) and Western blot analyses. In vivo, histological assessments following SCAP transplantation revealed increased bone tissue formation, further corroborated by osteocalcin staining. These findings underscore the potential of pwPBM as an innovative and effective tool for dental tissue regeneration and engineering.