bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigation of the expression of Cis P‐tau and Pin1 proteins following air pollution induction in the brain tissue of C57BL/6 mice
Authors: Shahpasand Sheyda , Khatami Seyyed Hossein , Ehtiati Sajad , Salmani Farzaneh , Zarei Tayebe , Shahpasand Kourosh , Ghobeh Maryam , Karima Saeed 
Published: August 2024

AbstractAlzheimer's disease (AD) is a multifactorial disease in which environmental factors play a role. Among environmental factors, air pollution is a vital issue in modern life. Despite extensive considerations, it remains uncertain how pollution mediates neurodegeneration in AD. Beta‐amyloids and hyperphosphorylated tau proteins are the two main pathological markers that have been studied in AD so far. Tau protein is basically a phosphoprotein whose functions are controlled by phosphorylation. The function of tau protein is to be located on the surface of microtubules and stabilize them. Studies have shown that phosphorylated tau protein (p‐tau) exists in cis and trans conformations at Thr231, among which cis is highly neurotoxic. The Pin1 enzyme performs the conversion of cis to trans or vice versa. In this study, an experimental mouse model was designed to investigate the formation of cis p‐tau by inducing air pollution. In this way, mice were randomly exposed to pollution at 2‐week, 1‐month, and 2‐month intervals. We investigated the formation of phosphorylated cis tau form during air pollution on mouse brains using Western blots and immunofluorescence. The fluorescent imaging results and Western blotting analysis of mouse brains revealed a significant accumulation of cis p‐tau in pollution‐treated mice models compared to the healthy control mice. According to Western blot results, air pollution induction caused a significant decrease in Pin1 protein. The results clearly show that the tauopathy observed during air pollution is mediated through the formation of cis tau. Our findings unravel tauopathy mysteries upon pollution and would help find a possible therapeutic target to fight the devastating disorder caused by modern life.
Three‐dimensional stem cell models of mammalian gastrulation
Authors: Turner David A. , Martinez Arias Alfonso 
Published: August 2024

AbstractGastrulation is a key milestone in the development of an organism. It is a period of cell proliferation and coordinated cellular rearrangement, that creates an outline of the body plan. Our current understanding of mammalian gastrulation has been improved by embryo culture, but there are still many open questions that are difficult to address because of the intrauterine development of the embryos and the low number of specimens. In the case of humans, there are additional difficulties associated with technical and ethical challenges. Over the last few years, pluripotent stem cell models are being developed that have the potential to become useful tools to understand the mammalian gastrulation. Here we review these models with a special emphasis on gastruloids and provide a survey of the methods to produce them robustly, their uses, relationship to embryos, and their prospects as well as their limitations.
Manifesting the multi‐stimuli‐responsive behaviour of triazole‐substituted triphenylamine
Authors: Pandey Dilip , Samarth Trivedi , Kharabe Laxman Sarjerao , Mishra Anrudh , Mishra Anupam , Raghuvanshi Abhinav 
Published: August 2024

AbstractThe development of multi‐stimuli‐responsive (MSR) materials is a tempting yet intriguing challenge due to the absence of a defined design approach. In this study, we designed and synthesised two compounds based on triphenylamine, namely, TPA‐Tz1 and TPA‐Tz2. The photoluminescent investigations reveal the MSR behaviour of both compounds. TPA‐Tz1 shows reversible mechanochromism with a blue‐shifted emission due to changes in intermolecular interactions. Furthermore, both compounds exhibit solvatochromism in solvents of varying polarity. Detailed studies suggest that solvatochromism in TPA‐Tz1 can be attributed to twisted intramolecular charge transfer (TICT), while in TPA‐Tz2, it is due to intramolecular charge transfer (ICT). Additionally, both compounds display acidochromic properties in solution as well as in the solid state due to the protonation of the triazole ring. All changes in emissions are corroborated through theoretical calculations. The results provide insights into the intricate interplay of molecular interactions and structural rearrangements that contribute to the compound's multifaceted responsiveness.
Active surveillance vs. surgery in low‐risk papillary thyroid microcarcinoma patients and the risk of loss to follow‐up
Authors: Saito Yoshiyuki , Matsuzu Kenichi , Takami Hiroshi , Matsui Ai , Kuga Yoko , Ohara Ryoji , Yoshioka Kana , Masaki Chie , Akaishi Junko , Hames Kiyomi Y. , Okamura Ritsuko , Tomoda Chisato , Suzuki Akifumi , Kitagawa Wataru , Nagahama Mitsuji , Sugino Kiminori , Ito Koichi 
Published: August 2024

AbstractBackgroundPapillary thyroid microcarcinoma (PTMC) management has evolved, with active surveillance (AS) gaining prominence as a management option. However, a key concern for both clinicians and patients is the potential for patient loss to follow‐up during AS.AimsThis study aimed to determine adherence and loss‐to‐follow‐up rates in low‐risk PTMC patients undergoing AS versus surgical intervention, in order to gain insights into clinical pathways and safety profiles.Materials and MethodsThis cohort study analyzed the 2016 data from a single registered institution of Japan's public National Cancer Registry.ResultsWe identified and retrospectively analyzed the cases of 327 patients diagnosed with low‐risk PTMC; 227 patients chose to undergo AS while the other 100 underwent PTMC surgery. Main outcomes were the adherence rate and loss‐to‐follow‐up rate of each group, factors influencing discontinuation, and safety considerations. The rate of AS adoption was substantial in the complete series of 327 low‐risk PTMC patients (69.4%). There was a significantly higher loss‐to‐follow‐up rate at 5 years in the AS group (28.6%) compared to the Surgery group (17.8%) (HR 1.62, 95% CI: 1.01–2.61; p = 0.046). Both univariate and multivariate analyses confirmed the significantly higher loss‐to‐follow‐up rate in the AS group as well as in older patients. No deaths due to PTMC progression were observed in the cases lost to follow‐up.ConclusionDespite concerns about loss to follow‐up, active surveillance remains a safe option for low‐risk PTMCs. Consistent follow‐up strategies are crucial, and further research is needed to enhance patient counseling and care for the management of patients with PTMC.
Chemo‐Enzymatic Functionalization of Bovine Milk Exosomes with an EGFR Nanobody for Target‐specific Drug Delivery
Authors: Zhang Ranran , Li Dan , Zhou Zhifang , Hong Haofei , Shi Jie , Wu Zhimeng 
Published: August 2024

AbstractBovine milk exosomes (BmExo) have been identified as versatile nanovesicles for anti‐cancer drugs delivery due to their natural availability and biocompatibility. However, tumor‐specific delivery based on BmExo often requires post‐isolation modifications of the membrane surface with active‐targeting ligands. In this study, we report an alternative approach to functionalize BmExo with nanobody combining facile chemical modification and Sortase A‐mediated site‐specific ligation, as demonstrated by the development of an epidermal growth factor receptor (EGFR)‐targeted drug delivery system. The BmExo membrane was first coated with a diglycine‐containing amphiphile molecule, NH2‐GG‐PEG2000‐DSPE, by hydrophobic insertion. The diglycine as nucleophiles displayed on the membrane enabled the subsequent ligation of the EGFR nanobody (7D12) by Sortase A (SrtA)‐mediated site‐specific transpeptidation. The successful construction of BmExo‐7D12 was confirmed by Western blotting analysis, electron microscopy, and dynamic light scattering (DLS). As a demonstration model, BmExo‐7D12 loaded with the chemotherapeutic drug doxorubicin (Dox) was shown to be able to deliver Dox to cancer cells in response to the expression of EGFR as manifested by immunocytochemistry and flow cytometry analysis. Finally, the cytotoxicity assay showed that BmExo‐7D12‐Dox was more effective in killing tumor cells with high EGFR expression while significantly reduced the non‐specific toxicity to EGFR negative cells. In conclusion, these results demonstrate that 7D12‐functionalized BmExo can serve as a target‐specific delivery system for Dox to selectively kill EGFR‐expressing tumor cells. This approach should prove to be versatile and efficient for the generation of protein‐ligands modified BmExo.
Photoinduced Copper‐Catalyzed Three‐Component Radical Carboamination of Styrene Derivatives
Authors: Huan Xiao‐Die , Zhang Juan , Xiao Wen‐Jing , Chen Jia‐Rong 
Published: August 2024

AbstractThe catalytic three‐component radical carboamination of alkenes has recently emerged as an alternative and robust platform for the rapid construction of diverse and valuable amines. Despite great advances in this field, new methods that enable highly selective access to new chemical space surrounding the amine functional groups are still in high demand. Herein, we report a generally applicable visible light‐induced copper‐catalyzed three‐component radical cyanoalkylamination reaction of alkenes, oxime carbonates, and benzoyloxycarbamates. This protocol demonstrates high chemo‐selectivity, broad substrate scope, and good functional group tolerance, providing access to a variety of cyanoalkylated aliphatic amines with good yields.
Achieving Regioselectivity for Remote C−H Activation by Substructure Conformations: an Approach of Paralogous Cytochrome P450 Enzymes
Authors: Zhang Liping , Jiang Peng , Jin Hongbo , Zhang Changsheng 
Published: August 2024

AbstractFor advanced synthetic intermediates or natural products with multiple unactivated and energetically similar C(sp3)−H bonds, controlling regioselectivity for the C−H activation is particularly challenging. The use of cytochrome P450 enzymes (CYPs) is a promising solution to the ‘regioelectivity’ challenge in remote C−H activation. Notably, CYPs and organic catalysts share a fundamental principle: they strive to control the distance and geometry between the metal reaction center and the target C−H site. Most structural analyses of the regioselectivity of CYPs are limited to the active pocket, particularly when explaining why regioselectivity could be altered by enzyme engineering through mutagenesis. However, the substructures responsible for forming the active pocket in CYPs are well known to display complex dynamic changes and substrate‐induced plasticity. In this context, we highlight a comparative study of the recently reported paralogous CYPs, IkaD and CftA, which achieve different regioselectivity towards the same substrate ikarugamycin by distinct substructure conformations. We propose that substructural conformation‐controlled regioselectivity might also be present in CYPs of other natural product biosynthesis pathways, which should be considered when engineering CYPs for regioselective modifications.
ZnH2P4N8: Case Study on Topochemical Imidonitridophosphate High‐Pressure Synthesis
Authors: Pritzl Reinhard M. , Steinadler Jennifer , Buda Amalina T. , Wendl Sebastian , Schnick Wolfgang 
Published: August 2024

AbstractNitridophosphates are subject of current research, as they have a broad spectrum of properties and potential applications, such as ion conductors or luminescent materials. Yet, the subclass of imidonitridophosphates has been studied less extensively. The primary reason is that the controlled N−H functionalization of nitridophosphates is not straight forward, making targeted synthesis more challenging. Inspired by the high‐pressure (HP) post‐synthetic modification of nitridophosphates, we present the topochemical HP deprotonation of phosphorus nitride imides using the high‐pressure polymorph β‐PN(NH) as an example. Additional incorporation of Zn2+ results in the first quaternary transition metal imidonitridophosphate ZnH2P4N8. The crystal structure was elucidated by single‐crystal X‐ray diffraction (SCXRD), energy‐dispersive X‐ray spectroscopy (EDX), powder X‐ray diffraction (PXRD) and solid‐state magic angle spinning nuclear magnetic resonance spectroscopy (MAS NMR). In addition, the presence of H as part of an imide group was confirmed by IR spectroscopy. The potential of this defunctionalization approach for controlling the N−H content is demonstrated by the preparation of partially deprotonated intermediates ZnxH4−2xP4N8 (x≈0.5, 0.85). This topochemical high‐pressure reaction represents a promising way to prepare, control and manipulate new imide‐based materials without altering their overall anionic framework.
Hydroflux Synthesis and Structural Phase Transition of Rare‐Earth Borate Hydroxides Na2[RE(BO3)(OH)2] (RE=Y, Gd−Er)
Authors: Li Yuxi , Carrillo‐Aravena Eduardo , Qu Jiang , Thakur Gohil S. , Ruck Michael 
Published: August 2024

AbstractReacting RE2O3 and H3BO3 in an ultra‐alkaline NaOH hydroflux at about 250 °C yielded pure, crystalline samples of Na2[RE(BO3)(OH)2] (RE=Y, Gd−Er). The compounds dehydrate to Na3RE(BO3)2 upon heating in air to about 500 °C. Na2[RE(BO3)(OH)2] (RE=Tb−Er) are photoluminescent under UV radiation. Their UV‐Vis spectra show the typical absorptions associated with 4f–4f transitions and absorption edges in the UV (band gaps ≥5.7 eV). The RE3+ cation is coordinated by seven oxygen atoms, which define a distorted pentagonal bipyramid. The bipyramids share trans‐edges of their base forming infinite chains. Triangular (BO3)3− groups connect the chains into layers. The crystal structure of Na2[Ho(BO3)(OH)2] was investigated at various temperatures in the range 100 K≤T≤320 K. Above 310(2) K, the compound crystallizes in the orthorhombic space group Cmcm (β‐phase), below, it undergoes a displacive phase transition of second order resulting in a monoclinic structure in space group C2/c (α‐phase). The critical exponents derived from different structural parameters indicate a cooperative distortion of the borate layers, but a rather uncorrelated adaptation of the sodium cations to their local environment. The other compounds of the series also adopt the structure of the α‐phase at 296 K.
Janus Reactivity of Crownphyrinoids: Alkali‐ vs. Transition Metal‐Mediated Transformations of Crown Ether‐Porphyrin Hybrids
Authors: Matviyishyn Maksym , A. Konieczny Krzysztof , Trzaskowski Bartosz , Szyszko Bartosz 
Published: August 2024

AbstractCrownphyrinogens and crownphyrins constitute a group of macrocycles that combine the structural facets of porphyrinoids and crown ethers. The dual‐nature cavity embedded in their molecules enables reactivity involving two structurally distinct parts of the macrocyclic ligand. Upon Ni(II) and Pd(II) insertion, coordination compounds are produced wherein the metal is incorporated into the porphyrinoid‐like pocket, resulting in monomeric or accordion‐like dimeric products, depending on the oxidation level of the macrocycle and metal cation. The reactions with Na(I) and K(I) resulted in the formation of complexes where only the crown ether segment of the molecule is involved in metal binding, yielding remarkable dimeric species. The exploitation of a crownphyrin large enough to accommodate two metal cations allowed the synthesis of an alkali/transition metal binuclear complexes wherein the macrocycle demonstrated the Janus reactivity with one cavity acting as a porphyrinoid and the other mimicking the crown ether.
Microorganisms usage in enhanced oil recovery: Mechanisms, applications, benefits, and limitations
Authors: Nikravesh Hamed , Kazemzadeh Yousef , Hasan‐Zadeh Atefeh , Safaei Ali 
Published: August 2024

AbstractIn today's world, where the oil and gas industry faces challenges such as declining production and the increasing need for efficient resource utilization, microbial enhanced oil recovery (MEOR) is introduced as a biological solution. This method, based on mechanisms like surfactant production, reduction of oil viscosity, and improvement of reservoir chemical properties, can increase oil recovery by 15%–20%, reduce operational costs by up to 30%, and is highly environmentally friendly. This study reviews various MEOR methods, including stimulating existing microbial activity in reservoirs or injecting microbes and nutrients. It presents successful examples of this technology in different oil fields, showing how MEOR can be a sustainable alternative to traditional methods. However, challenges such as the need for further research, control of biological processes, and advanced technology usage are also emphasized.
Lack of Class I Vasoreactivity Testing for Diagnosing Patients With Coronary Artery Spasm
Authors: Sueda Shozo , Hayashi Yutaka , Ono Hiroki , Okabe Hikaru , Sakaue Tomoki , Ikeda Shuntaro 
Published: August 2024

ABSTRACTBackgroundVasoreactivity testing, such as intracoronary acetylcholine (ACh) or ergometrine (EM), is defined as Class I for the diagnosis of patients with vasospastic angina (VSA) according to recommendations from the Coronary Vasomotion Disorders International Study (COVADIS) group and guidelines from the Japanese Circulation Society (JCS).HypothesisAlthough vasoreactivity testing is a clinically useful tool, it carries some risks and limitations in diagnosing coronary artery spasm.MethodsPrevious reports on vasoreactivity testing for diagnosing the presence of coronary spasm are summarized from the perspective of Class I.ResultsThere are several problems such as reproducibility, underestimation, overestimation, and inconclusive/nonspecific results associated with daily spasm. Because provoked spasm caused by intracoronary ACh is not always similar to that caused by intracoronary EM, possibly due to different mediators, supplementary use of these vasoreactivity tests is necessary for cardiologists to diagnose VSA when a provoked spasm is not revealed by each vasoactive agent.ConclusionsCardiologists should understand the imperfection of these vasoreactivity tests when diagnosing patients with VSA.
The Role of Water Networks in Phosphodiesterase Inhibitor Dissociation and Kinetic Selectivity
Authors: Blaazer Antoni R. , Singh Abhimanyu K. , Zara Lorena , Boronat Pierre , Bautista Lady J. , Irving Steve , Majewski Maciej , Barril Xavier , Wijtmans Maikel , Danielson U. Helena , Sterk Geert Jan , Leurs Rob , van Muijlwijk‐Koezen Jacqueline E. , Brown David G. , de Esch Iwan J. P. 
Published: August 2024

AbstractIn search of new opportunities to develop Trypanosoma brucei phosphodiesterase B1 (TbrPDEB1) inhibitors that have selectivity over the off‐target human PDE4 (hPDE4), different stages of a fragment‐growing campaign were studied using a variety of biochemical, structural, thermodynamic, and kinetic binding assays. Remarkable differences in binding kinetics were identified and this kinetic selectivity was explored with computational methods, including molecular dynamics and interaction fingerprint analyses. These studies indicate that a key hydrogen bond between GlnQ.50 and the inhibitors is exposed to a water channel in TbrPDEB1, leading to fast unbinding. This water channel is not present in hPDE4, leading to inhibitors with a longer residence time. The computer‐aided drug design protocols were applied to a recently disclosed TbrPDEB1 inhibitor with a different scaffold and our results confirm that shielding this key hydrogen bond through disruption of the water channel represents a viable design strategy to develop more selective inhibitors of TbrPDEB1. Our work shows how computational protocols can be used to understand the contribution of solvent dynamics to inhibitor binding, and our results can be applied in the design of selective inhibitors for homologous PDEs found in related parasites.
Fulgide Derivatives as Photo‐Switchable Coatings for Cathodes of Lithium Ion Batteries – A DFT Study
Authors: Dietrich Fabian , Cisternas Eduardo 
Published: August 2024

AbstractPhoto‐switchable coatings for lithium ion batteries (LIB) can offer the possibility to control the diffusion processes from the electrode materials to the electrolyte and thus, for example, reducing the energy loss in the fully charged state. Fulgide derivatives, as known photo‐switches, are investigated concerning their use as coating for vanadium pentoxide, a potential cathode material for LIB. With the help of Density Functional Theory calculations, two fulgide derivatives are characterized with respect to their photophysics, their aggregation behaviour on the cathode material and the ability to form self‐assembled monolayers (SAM). Furthermore, the two states of the photo‐switchable coating are tested with respect to lithium diffusion from the cathode material, passing the SAM and entering the electrolyte. We found a difference for the energy barriers depending on the state of the photo‐switch, preferring its closed form. This behaviour can be used to prevent the loss of charge in batteries of portable devices.
Right Time: In‐Season Nitrogen Applications
Authors: Nigon Leanna 
Published: August 2024

AbstractIn‐season nitrogen applications, when managed effectively, offer a powerful tool for enhancing crop productivity and environmental sustainability. By aligning nutrient availability with crop needs, optimizing application methods, and mitigating potential risks, farmers can achieve better outcomes for both their crops and the environment. Earn 1 CEU in Nutrient Management by reading this article and taking the quiz at https://web.sciencesocieties.org/Learning‐Center/Courses.
Optimizing nitrogen fertilization and planting density management enhances lodging resistance and wheat yield by promoting carbohydrate accumulation and single spike development
Authors: Mu Haimeng , Wang Zhuangzhuang , Sun Lifang , Huang Yuan , Song Yifan , Zhang Rong , Wu Zijun , Fu Kaixia , Duan Jianzhao , Kang Guozhang , Guo Tiancai , Wang Yonghua 
Published: August 2024

AbstractNitrogen fertilizer application and increasing planting density have been recognized as essential measures to achieve higher wheat (Triticum aestivum L.) yields. However, inadequate management practices often lead to poor culm quality and lodging. We hypothesized that optimizing culm characteristics could be a feasible approach to improving both lodging resistance and yield. In this study, field experiments involved five nitrogen levels (0, 180, 240, 300, and 360 kg ha−1) and three planting densities (225, 375, and 525 × 104 ha−1). Two wheat cultivars with different lodging resistance were selected and their culm morphological characteristics, biochemical components, field lodging rate, and yield in different treatments were measured. We found that field lodging rate in wheat was negatively correlated with yield, and there was a contradiction between increasing spike number and lodging resistance. Culm carbohydrate accumulation affected field lodging rate by regulating culm quality rather than the center of gravity height. Compared with Xinmai 26, Xinhuamai 818 had higher culm carbohydrate accumulation, which increased the breaking strength and yield by 14.2% and 17.0%. Nitrogen application and planting density had significant effects on yield and lodging resistance. Compared with N0 treatment, increasing nitrogen application rate improved yield of 67.2%–83.2% by increasing spike number and grain number per spike, and the N2 treatment showed the largest increase. Planting density had little effect on yield. Reducing planting density can increase the culm carbohydrate accumulation and enhance lodging resistance. Compared with D3 treatment, the culm breaking strength was increased by 27.6% under the D1 treatment. This study determined that the optimal combination of nitrogen and density for improving wheat lodging resistance and yield is 240 kg ha−1 and 225 × 104 ha−1. This combination enhances culm breaking strength by increasing carbohydrate accumulation and achieves high yield by increasing grain number per spike, 1000‐grain weight, and stabilizing spike number.