bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular Engineering of Amino Acid Crystals with Enhanced Piezoelectric Performance for Biodegradable Sensors
Authors: Cheng Yuanqi , Wang Tianjian , Zhu Haoqi , Hu Xueli , Mi Jing , Li Lan , Zhang Yu , Yang Jiapeng , Dong Liang , Li Ying , Sun Wenxu , Lu Xiaomei , Wang Wei , Cao Yi , Xue Bin 
Published: January 2025

AbstractAmino acid crystals have emerged as promising piezoelectric materials for biodegradable and biocompatible sensors; however, their relatively low piezoelectric coefficients constrain practical applications. Here, we introduce a fluoro‐substitution strategy to overcome this limitation and enhance the piezoelectric performance of amino acid crystals. Specifically, we substituted hydrogen atoms on the aromatic rings of L‐tryptophan, L‐phenylalanine, and N‐Cbz‐L‐phenylalanine with fluorine, resulting in significantly elevated piezoelectric coefficients. Density functional theory calculations further indicate that fluorination strengthens polarization by modifying molecular dipole moments. Consequently, these fluoro‐substituted crystals achieve piezoelectric coefficients of up to 50.36 pm/V, surpassing those of other organic piezoelectric materials such as polyvinylidene fluoride (PVDF), poly(L‐lactic acid) (PLLA), and gelatin. When integrated into flexible, biodegradable force sensors, the fluoro‐substituted crystals exhibit a broad sensing range, high sensitivity, and stable in vivo operation over extended periods. This work establishes a versatile route for boosting piezoelectricity in biomaterials, thereby broadening their scope in biomedical applications.
Photochromic Color Tuning of Copper‐Doped Zinc Sulfide Nanocrystals by Control of Local Dopant Environments
Authors: Kimura Mayu , Yoshioka Daisuke , Chang I‐Ya , Irizawa Akinori , Shibata Daisuke , Imada Shin , Kobayashi Yoichi 
Published: January 2025

AbstractInorganic photochromic materials offer several advantages over organic compounds, including relatively inexpensive and higher thermal stability. However, tuning their color with the same component has remained a significant challenge. In this study, we demonstrate that the photochromic color of Cu‐doped ZnS nanocrystals (NCs), which is initially pale yellow before light irradiation, can be tuned from gray to brown by adjusting the surface stoichiometry of Zn and S, which is controlled through the use of thiol and non‐thiol ligands. Several experiments and quantum chemical calculations using model clusters revealed that the color change is determined by the distribution of Cu, which significantly contributes to the coloration, specifically whether it resides on the Zn‐rich or S‐rich surface. In contrast, particle size and Cu concentration were found to have little effect on the photochromic color. This study expands the diversity of photochromic responses in inorganic NCs and marks an important step toward the development of further advanced photochromic nanomaterials.
The Proximal Protonation Source in Cu−NHx−C Single Atom Catalysts Selectively Boosts CO2 to Methane Electroreduction
Authors: Cai Rongming , Zhu Hong , Yang Fei , Ju Min , Huang Xianzhen , Wang Jian , Gu M. Danny , Gao Jiali , Yang Shihe 
Published: January 2025

AbstractRegulating the coordination environment of active sites has proved powerful for tapping into their catalytic activity and selectivity in homogeneous catalysis, yet the heterogeneous nature of copper single‐atom catalysts (SACs) makes it challenging. This work reports a bottom‐up approach to construct a SAC (rGO@Cu−N(Hx)−C) by inlaying preformed amine coordinated Cu2+ units into reduced graphene oxide (rGO), permitting molecular level revelation on how the proximal N‐site functional groups (N−H or N−CH3) impact on the carbon dioxide reduction reaction (CO2RR). It is demonstrated that the N−H moiety of rGO@Cu−NHx−C can serve as an in situ protonation agent to accelerate the CO2‐to‐methane reduction kinetics, delivering a methane current density (163 mA/cm2) 2.42‐times that with the ‐CH3 substituted counterpart rGO@Cu−N−C. Operando spectroscopic studies and theoretical calculations elucidate that the high methane faradaic efficiency (77.1 %) achieved here is enabled by opening up the energetically favorable formyl pathway (*OCHO pathway) against the traditional *CO pathway that normally leads to various CO2RR products other than methane. Our strategy sets the stage to precisely modulate single‐atom catalysts for efficient and selective electrochemical CO2 reduction.
Accelerated Destruction of Passive Film and Microbial Corrosion of 316 L Stainless Steel via Extracellular Electron Transfer
Authors: Li Zhong , Wang Jie , Li Feng , Li Zhengtao , Zhou Enze , Fan Yongqiang , Song Hao , Xu Zhaodong , Gu Tingyue , Wang Fuhui , Xu Dake 
Published: January 2025

AbstractThe dense passive film on 316 L stainless steel is the key in its corrosion resistance. Its interactions with an electroactive biofilm are critical in deciphering microbial corrosion. Herein, an in‐depth investigation using genetic manipulations and addition of an exogenous electron mediator found that extracellular electron transfer (EET) mediated by the electroactive S. oneidensis biofilm grown aerobically accelerated the destruction of the microstructure and weakened the passive film. The changes in surface properties accelerated the electrochemical reactions and increased pitting corrosion. The redox state on the surface also changed due to the activity of the electroactive biofilm. A synergistic EET corrosion mechanism, including both direct and mediated electron transfer with passive film destruction was proposed to illustrate the corrosion caused by electroactive S. oneidensis. The techniques used in this work provide a systematic approach to probe EET impact on microbial corrosion by electroactive biofilms with electron transfer across the biotic‐abiotic interfaces.
Rhodamine‐Gold Hybrid Nanosensor for Rapid and Selective Detection of Hg2+ Ions in Environmental Samples
Authors: Kaewtong Chatthai , Norrasarn Jukkraphop , Wanno Banchob , Hayami Shinya , Tuntulani Thawatchai , Pulpoka Buncha 
Published: January 2025

AbstractThis research focuses on the selective detection of Hg2+ ions using hybrid nanosensors composed of rhodamine building blocks linked to polyamine units of varying chain lengths to produce Rho1–Rho4, which were subsequently conjugated with thioctic acid (RT1–RT4) and attached to the surface of gold nanoparticles to create hybrid nanosensors (GRT1–GRT4) designed for detecting heavy metals. The chemical structures, purity, morphology, and chemical composition were characterized through XRD, NMR, TEM, ATR‐FTIR, and mass spectrometry. These hybrid nanosensors demonstrated excellent selectivity and sensitivity in colorimetric and fluorescence responses towards Hg2+, outperforming other metal ions. In their spirolactam form, the sensors were non‐fluorescent but transformed into a fluorescent form upon interaction with Hg2+, resulting in enhanced fluorescence and colorimetric changes. Theoretical calculations indicated that Hg2+ could form stable complexes with the RT1 sensor by binding to the oxygen and nitrogen atoms in the spirolactam structure, as well as coordinating with the oxygen atom of the amide bond. The detection limit (LOD) was 1.68×10−7 M with a response time of less than 40 seconds. This method offers a simple and highly sensitive approach for detecting Hg2+ ions in both environmental and biological applications, as confirmed by the characterization and experimental data.
Synthesis of SnO₂/COF Green Nanomaterials for Effective Pesticide Decomposition and Promoting Tomato Plants Growth
Authors: Khan Shoaib , Wang Aoxue , Liu Jiayin , Khan Iltaf , Mujahid Laiba , Ruijin Meng , Sadiq Samreen , Zaman Saeed , Khan Aftab , Khan Sohail , Khan Mansoor , Miao Yuanyang 
Published: January 2025

AbstractIn last few decades, the agriculture sector is facing various type of crops diseases originated by crop pests. Among various crops the tomato plant is greatly affected by many pests such as aphids and whiteflies, which are badly decreasing tomato plant yield and effecting its growth. In last few years, various type of pesticides such as Neonicotinoids and Pyrethroids are employed which are badly effecting eco‐system and water bodies. In this research work, we prepared SnO2 nanosheets (SONS) by in‐situ and green synthesis approach. Remarkably, SONS exhibit a larger surface area, tailored pore size, and higher catalytic performance than SnO2 nanoparticles (SONP). To further improve the efficiency of SONS, we coupled it with covalent organic farmwork nanosheets (COFNS) via the hydrothermal approach. The SONS@COFNS hybrid nanocatalysts exhibit improved carrier migration, enhanced porosity, multiple active sites, and exceptional light absorption capabilities. The as prepared green nanomaterials delivered improved activities for Neonicotinoids and Pyrethroids degradation. Remarkably, the most active sample 6COFNS/SONS showed the highest degradation efficiency (94 %), which is approximately 1.92 times higher than the degradation efficiency of pristine SONS (49 %). This work will ultimately contribute to developing green, ecofriendly nanomaterials for pesticides degradation and promoting tomato plants growth.
Progress and Challenges of Water‐in‐Salt Electrolytes: Exploring Physical Chemistry Properties and Solid Electrolyte Interphase Formation Mechanisms
Authors: Wang Xuanze , Jommongkol Rossukon , Deng Jie , Liu Kexin , Qian Jiangfeng , Zhu Yachao , Fontaine Olivier 
Published: January 2025

Abstract“Water‐in‐salt” (WIS) electrolytes endow the possibility of commercial aqueous devices due to the extending electrochemical stability window (ESW). However, there is still a long way to address current issues until future practical applications, such as the high cost of salts, the cathodic limit, and the controversial mechanism of solid‐electrolyte interphase (SEI). In this review, we first introduce cutting‐edge WIS electrolytes and display their current issues. After, the reported tactics of solving issues and achievements in our group are listed, including four sections: 1) physical structure; 2) SEI formation analysis; 3) additives contributions; and 4) devices. In the end, we focus on the current challenges and perspectives of WIS electrolytes for aiming at the practical applications of aqueous energy storage devices.
Exploring Biophysical and Chemoinformatics Approaches for Interactions of Ionic Liquids With Hemoglobin, DNA, BSA, and HSA
Authors: Sangeeta  , Mehra Komal , Sarkar Anjana , Tomar Ravi 
Published: January 2025

ABSTRACTThis review article provides an inclusive overview of the intricate interactions amid ionic liquids (ILs) and essential biomacromolecules, mainly hemoglobin (Hb), bovine serum albumin (BSA), human serum albumin (HSA), and calf thymus‐DNA (CT‐DNA). ILs have recently become a topic of great attention because of their inimitable physicochemical properties and potential uses in different fields. The review systematically explores the binding mechanisms, thermodynamics, and structural changes induced by ILs on Hb, BSA, HSA, and CT‐DNA using spectroscopic, thermodynamic, and computational techniques. The article highlighted various experimental and computational methodologies to explore the interactions between ILs and biomacromolecules. It offers an in‐depth analysis of the techniques employed to decode the intricate nature of these molecular associations and the influence of ILs along with their structural characteristics on the conformational stability, activity, and functionality of biomacromolecules. This foundational understanding is essential for advancing research and developing strategies that exploit the distinctive properties of ILs to foster innovative and sustainable applications within the biomedical field.
New α‐Glucosidase Inhibitors from Vietnamese Garcinia schomburgkiana Fruits
Authors: Tran Quyen H. N. , Nguyen Huong T. M. , Nguyen Thuy L. T. , Sichaem Jirapast , Do Lien T. M. 
Published: January 2025

ABSTRACTThe chemical investigation of the fruits of Garcinia schomburgkiana growing in Vietnam led to the isolation of a new anofinic acid derivative, 5‐hydroxy‐8‐methoxyanofinic acid (1), a new xanthone, xanthoschome C (2), and a known synthetic phenolic analog, 4‐(2‐hydroxybenzyl)‐2‐(4‐hydroxybenzyl) phenol (3), along with seven known xanthones (4–10). The structures of all isolated compounds were determined using spectroscopic techniques (nuclear magnetic resonance and mass spectrometry), in conjunction with a comparison to existing literature data. All isolated compounds were assessed for their α‐glucosidase inhibitory activity and showed significant inhibition, with half‐maximal inhibitory concentration (IC50) values ranging from 12.1 to 65.7 µM, surpassing the potency of the positive control, acarbose (IC50 179 ± 6.02 µM). Among them, compound 8 exhibited the strongest inhibitory activity, with an IC50 value of 12.1 ± 0.44 µM.
Laccase Functional Analysis: Substrates, Activity Assays, Challenges, and Prospects
Authors: Babinskas Justinas , Matijošytė Inga 
Published: January 2025

AbstractEnzyme functional analysis is a multifaceted process that can be used for various purposes, such as screening for specific activities, as well as developing, optimising, and validating processes or final products. Functional analysis methods are crucial for assessing enzyme performance and catalytic properties. Laccase, a well‐known blue multi‐copper oxidase, holds immense potential in diverse industries such as pharmaceuticals, paper and pulp, food and beverages, textiles, and biorefineries due to its clean oxidation process and versatility in handling a wide range of substrates. Despite its prominence, the use of laccase encounters challenges in selecting appropriate functional analysis substrates and methods. This review delves into the substrates utilised in qualitative and quantitative techniques for laccase activity analysis. Although laccase catalyses mono‐electron oxidation of aromatic hydroxyl, amine, and thiol compounds efficiently, using molecular oxygen as an electron acceptor, the review identifies limitations in the specificity of the commonly employed substrates, concerns regarding the stability of certain compounds and highlights potential strategies.
Influence of Sample Preparation Method on Total Dietary Fiber Content Measurement of Low Carbohydrate Bread Containing High Levels of Cross‐Linked Phosphorylated RS4 Wheat Starch
Authors: Shi Jialiang , Jeradechachai Tanya , Maningat Clodualdo C. , Jo Myeongsu , Chen Zhongwei , Shi Yong‐Cheng 
Published: January 2025

ABSTRACTBackground and ObjectivesCross‐linked phosphorylated (CLP) RS4 wheat starch has been approved as a dietary fiber source by FDA because it can reduce insulin levels following a meal containing a carbohydrate that raises blood glucose levels. It has been successfully formulated in many high‐fiber and low‐carbohydrate bread products. This study aimed to determine the influence of sample preparation methods on the total dietary fiber content of these fiber‐fortified bread products during the assay with AOAC Method 991.43. In addition, the effects of CLP RS4 wheat starch on the morphology, crystallinity, and thermal properties of the bread were investigated.FindingsThe total dietary fiber content of breads formulated with unmodified wheat starch or CLP RS4 wheat starch was influenced by the sample preparation methods (drying, grinding, and sieving). Preferred methods are forced air oven over freeze‐drier and vacuum oven; coffee grinder over mortar and pestle; and 35‐mesh over 70‐mesh sieve. The proposed method excludes influence of operator and shows more repeatable results. CLP RS4 wheat starch in the bread was gelatinized and had restricted swelling, reduced enthalpy, and reduced crystallinity.ConclusionsThe proposed sample preparation method generated from this study involves drying the bread in a forced air oven at 40°C, particle size reduction using a coffee grinder, and screening the ground samples in a 35‐mesh sieve before total dietary fiber assay using AOAC Method 991.43.Significance and NoveltyOur study provided new and useful information on sample preparation methodology for total dietary fiber measurement of high‐fiber or low‐carbohydrate bread products containing CLP RS4 wheat starch. This methodology has potential applications in many high‐fiber flour‐based products other than bread.
Applicability of Semiconductor Photocatalysts in Photoredox Reactions: Highlighting the Performance of Polymeric Carbon Nitrides in Radical Three‐Component Couplings
Authors: Lorenz Felix , Peppel Tim , Brasholz Malte , Strunk Jennifer 
Published: January 2025

AbstractA set of five polymeric carbon nitrides (pCNs) made from diverse low‐molecular precursors was compared with metal chalcogenide and pnictogenide semiconductors for their effectiveness in visible light‐induced organic radical reactions. The productivity of the heterogenous photocatalysts in the decarboxylative Giese addition of N‐phenylglycine with cyclopentenone was studied at different irradiation wavelengths ranging from 380 to 450 nm, as well as in the deaminative radical donor–acceptor–donor (DAD) three‐component coupling of N‐benzyl pyridinium salts with N‐methylmaleimide and 1,1‐diarylethylenes. The heterogenous photocatalytic radical three‐component reactions were achieved in high diastereoselectivities and with high yields if the electronic and steric properties of the reactants were matched with the appropriate heterogeneous photocatalyst.
Mechanically Adaptive Materials Based on Dynamic Chemical Bonds
Authors: Dong Jiamei , Zhao Zi‐Han , Li Cheng‐Hui 
Published: January 2025

AbstractAdaptiveness is an important feature for biological creatures to survive and interact with variable environments. Mechanically adaptive polymers (MAPs), which have been developed recently inspired by this adaptive nature, can regulate their mechanical properties in response to external stimuli or environmental changes. Specifically, MAPs based on dynamic chemical bonds have been synthesized and reported as an emerging material because of the intrinsic self‐adaptability, outstanding mechanical properties and durable applications. This review primarily focuses on the recent advancements in the fabrication of MAPs through the utilization of dynamic covalent bonds and non‐covalent bonds. A comprehensive summary of the methodologies and mechanisms employed to attain high energy dissipation in MAPs is provided. Subsequently, the review offers incisive analyses of the intrinsic functionalities of MAPs, such as high impact‐stiffening, damping, and buffering capabilities. Finally, the developmental achievements within this domain are recapitulated, the potential challenges, and future research perspectives in MAPs are deliberated.
150 Years of the Tetrahedral Carbon: A Toast to Chirality
Authors: Cintas Pedro 
Published: January 2025

ABSTRACTWe have recently celebrated the 150th anniversary of the tetrahedral carbon (1874–2024), as postulated by van't Hoff and Le Bel, who published their seminal breakthrough only 2‐months apart, on September 5 and November 5, 1874, respectively. The concept is a fundamental pillar of structural chemistry and, if we may say so, of molecular sciences. How two young men in their early careers dared to disturb the established way of thinking constitutes the jumping‐off of scientific theories as constructive elements, rather than arguments derived from experiments. Chirality makes no sense without geometry. Nor can we interpret a molecular scenario devoid of spatial considerations. All in all, a felicitous celebration to be highlighted.
Iron‐histidine Coordination in Cytochrome b5: A Local Vibrational Mode Study
Authors: Freindorf Marek , Fleming Kevin , Kraka Elfi 
Published: January 2025

We analyzed the intrinsic strength of distal and proximal FeN bonds and the stiffness of the axial NFeN bond angle in a series of cytochrome b5 proteins isolated from various species, including bacteria, animals, and humans. Ferric and ferrous oxidation states were considered. As assess‐ ment tool, we employed local vibrational stretching force constants ka(FeN) and bending force constants ka(NFeN) derived from our local mode theory. All calculations were conducted with the QM/MM method‐ ology. We found that transition from ferric to ferrous state makes the FeN axial bonds weaker, longer, less covalent, and less polar. Additionally, the axial NFeN bond angle becomes stiffer and less flexible. Local mode force constants turned out as far more sensitive to the protein environment than geometries; unraveling trends across di‐ verse protein groups and monitoring changes in the axial heme‐framework caused a change between ferric and fer‐ rous oxidation states. These characteristics qualify them as perfect features for machine learning models predicting cytochrome b5 redox potentials, which currently rely more on geometric data and qualitative descriptors of the protein environment. The insights gained through our investigation also offer valuable guidance for strategically fine‐tuning ar‐ tificial cytochrome b5 proteins and designing new, versatile variants.
Investigating the Impact of B Cell‐Related Genes on Colorectal Cancer Immunosuppressive Environment and Immunotherapy Evasion
Authors: Wu Haixia , Yu Yilin , Wang Zhiping , Wu Shiji , Shao Lingdong , Hong Liang , Qiu Jianjian , Zhang Xueqing , Wu Junxin 
Published: January 2025

ABSTRACTWe aimed to elucidate the prognostic and immunological roles of B cell‐related genes in colorectal cancer (CRC). This study comprehensively integrated data from single‐cell RNA‐sequencing, TCGA, GEO, IMvigor210, GDSC, CancerSEA, HPA, and TISIDB databases to explore prognostic implications and immunological significance of B cell‐related gene signature in CRC. We identified seven prognostically significant B cell‐related genes for constructing a risk score. Clinical relevance analysis indicated that this risk score served as an independent prognostic factor, with the model accurately predicting patient outcomes. GSEA results implicated the risk score in immune function, cell cycle, and DNA replication. Immune infiltration analysis revealing lower levels of B cells, CD4+ cells, and CD8+ cells in the high‐risk group, correlating with decreased immune activity and function. IMvigor210 and TIDE analysis indicated poorer prognosis among high‐risk group patients receiving immune therapy. Additionally, the high‐risk group exhibited lower sensitivity to immune therapy. Further analysis of drug sensitivity suggested higher resistance to common chemotherapy drugs among high‐risk groups. Finally, we identified HSPA1A as the gene with the strongest association with immune and inflammatory responses. Validation of HSPA1A protein expression and prognosis demonstrated elevated expression in CRC compared to normal colorectal tissue, further reinforcing its association with poorer prognosis and higher tumor stage. The risk score exhibited substantial variations in clinical characteristics, functional mechanism, TMB, drug sensitivity, immune cell infiltration, and immune subtype. Our findings may aid in clinical decision‐making by shedding light on novel and promising biomarkers for CRC prognosis and immunotherapy response prediction.