bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structure‐Guided Identification of Novel Aromatase Inhibitors Targeting Breast Carcinoma
Authors: Yadav Priyanka , Tripathi Manish Kumar , Yadav Manoj Kumar 
Published: July 2024

AbstractAromatase inhibitors play a critical therapeutic role in treating ER+ breast cancer, especially in postmenopausal women. However, their efficacy is often limited by resistance and severe side effects. Identifying new compounds that can disrupt aromatase enzyme function is essential. In this study, structural anomalies in the aromatase enzyme were corrected through energy minimization, and the structure was validated via Ramachandran plot. We screened 170,269 natural compounds from the ASINEX Biodesign library using high‐throughput screening algorithms to target the aromatase enzyme. Molecular docking identified three compounds: BDD30170158, BDE33872639, and BDE30177677, all showing stable binding interactions with the aromatase enzyme. Molecular dynamics simulations over 100 ns confirmed the conformational stability of these compounds. Although all three compounds exhibited the desired pharmacokinetic and drug metabolism properties, only one compound (BDE33872639) was identified as a non‐blocker, demonstrating a reduced risk of adverse cardiac effects. This compound exhibits significant potential as a novel aromatase inhibitor, warranting further experimental research to develop it as a therapeutic option for ER+ breast cancer.
Trends, Recent Advances, and Application of Pulsed Electric Field in Food Processing: A Review
Authors: Alkanan Zina T. , Altemimi Ammar B. , Younis Mohamed Ibrahim , Ali Marwa Rashad , Cacciola Francesco , Abedelmaksoud Tarek Gamal 
Published: July 2024

AbstractGenerally, thermal inputs dominate the food processing industry for food preservation. Pulsed electric field (PEF) is one of the most promising nonthermal microorganism‐killing techniques. The most important factors in PEF processing are electric field strength and treatment duration. At the laboratory level, encouraging results are reported; however, industrialization raises the cost of the command charging power supply and the high‐speed electrical switch. In this review, the results of previous experimental studies on PEFs and proposed future research directions in this field are discussed. There is currently no successful PEF processing system for industrial applications. Those who wish to promote the industrial application of the PEF processing system face a significant barrier in the form of the system's high initial cost of installation. Innovative developments in high‐voltage pulse technology will reduce the cost of pulse generation and make PEF processing competitive with thermal processing methods.
Rupture of sinus of Valsalva in a young laborer: A rare case report
Authors: Tahir Muhammad Fawad , Munim Abdul , Mughal Sanila , Kan Changez Mah I , Khan Munaum Ali , Yousaf Anum , Zakir Shahzed 
Published: July 2024

Key Clinical MessageRuptured sinus of Valsalva (RSOV) upon physical exertion is rare but should be considered in differential in young adults. Symptoms of acute heart failure, hemodynamic instability, and continuous heart murmur raises suspicion for RSOV and requires emergent surgical repair of right ventricular outflow tract.
Selective Photocatalytic Oxidation of 5‐Hydroxymethylfurfural using Ce doped TiO2: A Crucial Role of Defective Sites
Authors: Sharma Neeraj , Ali Hadi , Saravanamurugan Shunmugavel 
Published: July 2024

AbstractTransforming platform compounds with conventional catalysts, such as homogeneous and heterogeneous, into valuable chemicals encounters challenges associated with entailing high temperature/pressure and reusability during the reaction. To address these challenges, photocatalysis is one of the promising approaches, especially with visible‐light‐driven photocatalysts for selective transformation. A series of cerium‐doped TiO2 (CexTiO2; x=0.5, 1, 3 and 5 wt %) are prepared via a simple coprecipitation method for the cocatalyst‐free selective oxidation of 5‐hydroxymethylfurfural (HMF) to 2,5‐diformylfuran (DFF) under visible light illumination. Introducing Ce into the network to TiO2 generates impurity energy levels, reduces the band gap, and extends the spectral response range. This also causes slight distortion to the surface structure, thereby originating defective sites and various surface oxygen species, confirmed by X‐ray photoelectron spectroscopy and electron paramagnetic resonance studies. The HMF adsorption studies infer that HMF forms a surface complex with CeTiO2, facilitating the formation of ligand‐to‐metal charge transfer complex (LMCT) under visible light (~420 nm), which efficiently catalyzes the conversion of HMF (54.4 %) to DFF with a selectivity of >99 %. In‐situ DRIFTS and surface passivation studies provide insight into the interaction between HMF and surface acidic/basic sites along with hydroxyl groups of CeTiO2, which subsequently convert selectively to DFF.
Regulating the Interaction Between PdCu Bimetals and MgAl1.82Ce0.18O4 Spinel for Three‐Way Catalysis
Authors: Yuan Liang , Busari Fatimah Kehinde , Li Yue , Li Zhangjie , Xu Wen , Li Gao , Chen Yongdong 
Published: July 2024

AbstractThree‐way catalysis represents a pivotal technology for converting automobile exhaust pollutants into non‐toxic gases. Substituting some noble metals with transition metals is considered a promising way to reduce catalyst costs. Herein, we have investigated the catalytic potential of different configurations of Pd−Cu catalysts prepared by impregnation (PdCu/MA), sol‐gel (PdCu‐MA), impregnation with physical mixing (Pd/Cu/MA) and sol‐gel with physical mixing (Pd/Cu‐MA) to modify the interaction of Pd/Cu and MgAl1.82Ce0.18O4 (MA) spinel in this comparative study. The different structures in these catalysts lead to different catalytic performances. PdCu/MA exhibits the best three‐way catalytic performance, which owe to the small‐sized PdCu particles with high Pd2+ content (45.3 %) and optimal interaction of Pd/Cu particles and MgAl1.82Ce0.18O4 support. Furthermore, comprehensive CO‐DRIFTS, H2‐TPR, and O2‐TPD analyses discover that the metal‐support interaction is beneficial to enhance the catalytic performance in three‐way catalysis. Overall, we demonstrated that the interaction between PdCu bimetals and support can regulate the electronic state of Pd, thereby enhancing the use and efficiency of noble metals.
Rhodium‐Catalyzed Pyridylation of Alkynamides with Pyridylboronic Acids: A Route to Functionalized Enamides
Authors: Zhu Huilong , Sun Dingcheng , Zhang Shengxiang , Chen Junning , Xu Zhou 
Published: July 2024

AbstractThe catalytic direct hydroarylation of alkynamides is a highly efficient approach for accessing functionalized trisubstituted arylalkenes with amide groups. Herein, we report a rhodium‐catalyzed pyridylation of alkynamides with pyridylboronic acids, producing a variety of primary, secondary, and tertiary enamides with high yields (up to 94 %). This reaction demonstrates broad tolerance towards various alkyl and aryl functional groups, providing convenient access to a diverse array of alkenylpyridine derivatives. To demonstrate potential applications in late‐stage hydropyridylation, we synthesized α,β‐unsaturated ketones, aldehydes, and esters with high yields from the pyridylation product of Weinreb amides. This indirect expansion of the substrate scope enhances the practicality of this strategy. Additionally, the α,β‐unsaturated ketone obtained can be further reduced to yield a chiral alcohol with a 99 % ee, further demonstrating the versatility and potential utility of this approach.
Hydrazone‐Linked Donor‐Acceptor Covalent Organic Polymer as a Heterogeneous Photocatalyst for C−S Bond Formation
Authors: Mohit  , Kumar Sunil , Justin Thomas K. R. 
Published: July 2024

AbstractIn the realm of solar energy utilization, there is a growing focus on designing and implementing effective photocatalytic systems, for the conversion of solar energy into valuable chemical fuels. The potential of Covalent Organic Polymers (COPs) as photocatalysts for visible‐light‐driven organic transformation has been widely investigated, positioning them as promising candidates in this field. In the design of COPs, introducing a donor‐acceptor arrangement facilitates the transfer of electrons from the donor to the acceptor, creating a charge transfer complex and leading to enhanced conductivity and improved charge separation. Here we present a novel hydrazone‐linked covalent organic polymer ETBC‐PyHz containing TPE donor and pyridine acceptor. Utilizing this, an efficient method has been developed for an oxidative cross‐coupling reaction involving C−S bond formation. This process involves arylhydrazines and arenethiols, and results in the production of unsymmetrical diaryl sulfides via the formation of aryl and thioarene radicals. This conversion holds significant importance because the byproducts produced during the process are nitrogen and water, making it environmentally benign.
Optical Activity of Nonactin and Its Cation Complexes
Authors: Gustafson Afton , Kahr Bart 
Published: July 2024

ABSTRACTNonactin is a non‐enantiomorphous (S4 symmetric), optically active natural product with a specific rotation of zero in solutions at all frequencies and temperatures. All optically active, non‐enantiomorphous natural products have specific rotations of zero as a consequence of the spatial average of bisignate chiroptical (magnetoelectric or gyration) tensors with equal and opposite eigenvalues. Zeros that arise in the spatial average are distinct in principle, though not necessarily in practice, from zeros that arise in optical inactivity—chiroptical tensors with zero values for all elements as in centric molecules. Nonactin would be measurably optically active when oriented. The anisotropy of the optical activity of nonactin and its cation complexes, likewise S4 symmetric, are studied here by computation to emphasize the infelicitous linkage between optical activity and chirality. Computations show that changes in the conformation of the nonactin macrocycle upon complexation principally are responsible for diminishing the computed optical activity; the metals are incidental.
The Development of One New Normal Phase Liquid Chromatography Method and Thermodynamic Investigation of Olodaterol Hydrochloride Enantiomer
Authors: Rao Wanbing , Zhang Chenxia , Luan Baolei , Wang Zhongqing , Qiu Meiyan , Cai Shaoyu 
Published: July 2024

ABSTRACTIn order to improve and replace the enantiomer method outlined in the olodaterol hydrochloride draft monograph (From the European Pharmacopoeia forum), one new, simple, and fast enantioselective normal phase high‐performance liquid chromatography chiral method was developed on polysaccharide‐based Chiral MX (2) (4.6 × 250 mm, 5 μm) column. n‐Hexane, ethanol, and diethylamine in the ratio of 40:60:0.1 (V/V/V) were selected as mobile phase at a flow rate of 0.8 mL/min, and the detection was performed on a photodiode array detector at 225 nm with 5 μL injection volume. The column temperature was set at 40°C for better peak shape and sensitivity. The analysis time can be shortened to 15 min, whereas the resolution between enantiomer and olodaterol was found to be even more than 10.0, which was far better than that obtained with the reported method in this draft monograph. The developed chiral method was validated in accordance with ICH Q2 (R1), including specificity, LOD&LOQ, precision, linearity, accuracy, and robustness. Thereby, the proposed method was demonstrated to be suitable for the determination of enantiomer in olodaterol hydrochloride bulk drug and drug product. Besides, the thermodynamic parameters were evaluated on the basis of Van't Hoff plots that was used to explain correlative chiral recognition mechanisms with the chiral stationary phase.
Production of Sustainable Methanol from Industrial Exhaust Gases
Authors: Tenhumberg Nils , Kolbe Nina 
Published: July 2024

AbstractCarbon capture and utilization (CCU) is part of the European Union (EU)’s strategy to become climate‐neutral by 2050. CO2 is needed as a feedstock for the production of climate‐friendly base chemicals and sustainable fuels. Although CO2 capture from industrial point sources is technically feasible and requires less energy than direct air capture, its integration into the circular economy is challenging due to only the temporary recognition of fossil CO2 as a source for the production of climate‐friendly renewable fuels. In this article, CO2 sources such as waste incineration plants, lime production, and steel production are analyzed based on process simulation in terms of their energy demand for CCU and compliance with current EU legislation on renewable fuels over the service life of a CCU plant.
Substituent Modulated Electronic Properties of Cu(I) Active Site in Metal–Organic Halides for Boosting Hydrogen Evolution Reaction†
Authors: Wu Jing , Wang Pingping , Fu Yuzhe , Shen Yi , Wang Bin , Hu Feng , Zuo Mengkai , Huang Wei , Wu Dayu 
Published: July 2024

Comprehensive SummaryDevelopment of heterogeneous molecular photocatalysts for promising light‐driven hydrogen evolution reaction (HER) is highly demanding but still challenging. Here, we report the blue‐greenish emitting dinuclear metal–organic halides as photocatalyst by incorporating site‐specific single copper(I) atoms that exhibit an efficient carbon‐negative H2 production. Interestingly, the electronic properties, including the spin and charge density of central Cu(I) active site, can be triggered by substituent modulation in metal–organic halides, which greatly affect the exciton dissociation kinetics and thus the HER reactivity. The optimized spin density in these heterogeneous photocatalysts drastically boosts the hydrogen production rate from 1250 to 3130 μmol·g–1·h–1. Our molecular strategy provides a platform that rationally facilitates electronic modulation of copper(I) atoms, tunes the macroscopic optoelectronic properties of photocatalysts and boosts carbon‐negative HER activity, extending the boundaries of conventional molecular‐based photocatalysts.
PROTOCOL: Mindfulness‐based interventions for improving tic‐related symptoms in children and adults with chronic tic disorder and Tourette's disorder: A systematic review
Authors: Singer Ilana , Gagnon Méliza , B. Leclerc Julie 
Published: July 2024

AbstractThis is a protocol for a Cochrane Review (prototype). The objectives are as follows: This systematic review aims to summarize the available scientific literature on the effect of mindfulness‐based approaches in children and adults with Chronic Tic Disorder (CTD) or Tourette Disorder (TD). More specifically, the research question is: What is the effectiveness of mindfulness‐based interventions in reducing tic severity and improving overall functioning, quality of life, and co‐occurring symptoms in children and adults with CTD or TD?
Copper‐Cobalt Bimetallic Nanoparticles for the Acceptorless Dehydrogenation of Alcohols: A Combined Experimental and Theoretical Study
Authors: Huang Ning , Hammed Chaima , Wang Guillaume , Nowak Sophie , Decorse Philippe , Schaming Delphine , Gannouni Anis , Najjar Wahiba , Michel Carine , Sicard Lorette , Piquemal Jean‐Yves 
Published: July 2024

AbstractBimetallic Cu and Co nanoparticles were prepared using the polyol process. The nature of the polyol was found to be decisive to control the distribution of the two metals within the particles, resulting in either core‐shell or quasi‐alloyed structures, as shown by chemical analysis at the single particle level. The particles can be prepared over the entire composition range with a very good control of the Cu/Co molar ratio. The introduction of Cu in the synthetic system allows decreasing significantly the mean size of the resulting particles. The two sets of particles were used as unsupported catalysts for the solvent‐free acceptorless dehydrogenation of octan‐2‐ol. Very good ketone yields were measured when using the quasi‐alloyed particles while lower activities were obtained with core‐shell structures. The Cu25Co75 quasi‐alloyed catalyst could be recycled at least ten times without a significant loss in catalytic activity and particle‐scale chemical analyses confirmed that the recovered particles are still alloyed with no observed demixing. The catalytic results are discussed in the light of different exposed metal surface areas and possible synergetic effects using theoretical predictions.
Spatio‐Temporal Symmetries of Electronic Chirality Flips in Oriented RbCs Induced by two Coincident Laser Pulses with Circular ++, +−, −+, −− Polarizations
Authors: Liu Guoxiao , Manz Jörn , Wang Huihui , Yang Yonggang 
Published: July 2024

AbstractRecently it has been shown that two coincident well designed laser pulses with two different combinations of circular polarizations (
or
) can create chiral electronic densities in an oriented heteronuclear diatomic molecule. Subsequently, the chirality flips from the electronic Ra to Sa to Ra to Sa etc. enantiomers, with periods in the femtosecond (fs) and attosecond (as) time domains. The results were obtained by means of quantum dynamics simulations for oriented NaK. Here we investigate the electronic chirality flips in oriented RbCs induced by all possible (
,
,
,
) combinations of circular polarizations of two coincident well‐designed laser pulses. Accordingly, the
and
as well as the
and
combinations generate opposite electronic enantiomers, e. g. Ra versus Sa, followed by opposite periodic chirality flips, e. g. from Ra to Sa to Ra to Sa etc. versus from Sa to Ra to Sa to Ra etc, with periods in the fs and as time domains, respectively. The laser induced spatio‐temporal symmetries are derived from first principles and illustrated by quantum dynamics simulations.
Performance analysis of rate‐splitting multiple access in intelligent reflecting surface‐assisted uplink hybrid satellite‐terrestrial networks
Authors: Can Mehmet , Altunbas Ibrahim 
Published: July 2024

SummaryIn this paper, we investigate the performance of a rate‐splitting multiple access (RSMA)‐based intelligent reflecting surface (IRS)‐assisted uplink hybrid satellite‐terrestrial network. We consider three different scenarios based on the channel phase knowledge at the IRS, namely, the ideal, partial, and blind cases. In the ideal case, the IRS has full knowledge of both the user‐to‐IRS and IRS‐to‐satellite channel phase information. In the partial case, the IRS has only the user‐to‐IRS channel phase information. Last, in the blind case, the IRS has no any knowledge of the phase information. We assume that the user‐to‐IRS channel follows Rician fading, and the IRS‐to‐satellite channel follows the shadowed Rician fading. The closed‐form tight outage probability expressions for all three scenarios are derived. The accuracy of the derivations is confirmed by simulation results. In addition, it is shown that the performance of the RSMA‐based system is superior to those of the conventional non‐orthogonal and orthogonal multiple access‐based systems with a small number of reflecting elements at high target rates.
Current status of endoscopic ultrasound in the diagnosis of intraductal papillary mucinous neoplasms
Authors: Ohno Eizaburo , Kuzuya Teiji , Kawabe Naoto , Nakaoka Kazunori , Tanaka Hiroyuki , Nakano Takuji , Funasaka Kohei , Miyahara Ryoji , Hashimoto Senju , Hirooka Yoshiki 
Published: July 2024

AbstractThe new Kyoto guidelines for the management of intraductal papillary mucinous neoplasm (IPMN) provide evidence‐based recommendations for the diagnosis and treatment of IPMN. Endoscopic ultrasonography (EUS) is a diagnostic modality with a high spatial resolution that allows detailed observation and obtaining cyst fluid or tissue samples via EUS‐guided fine needle aspiration (EUS‐FNA). Currently, EUS is an indispensable examination method for the diagnosis of pancreatic diseases. On the other hand, there have been concerns that EUS imaging tends to be highly operator‐dependent, and may lack objectivity. Previous guidelines have assigned EUS as an option for patients with worrisome features. However, recent reports indicate that the sensitivity of EUS for the diagnosis of mural nodules (MNs) is more than 90%, comparable or superior to that of contrast‐enhanced computed tomography or magnetic resonance cholangiopancreatography. The specific advantages of EUS in the diagnosis of IPMN are: (1) high spatial resolution imaging for the diagnosis of MNs, (2) contrast‐enhanced EUS for differentiation of intra‐cystic MNs from mucous clots, and (3) pathological diagnosis using EUS‐FNA and differential diagnosis of a pancreatic cystic tumor by cystic fluid analysis. In order to utilize EUS in the diagnosis of IPMN, endoscopists are required to have the skills to provide sufficiently objective imaging findings.
Efficient Dlx2‐mediated astrocyte‐to‐neuron conversion and inhibition of neuroinflammation by NeuroD1
Authors: Liu Min‐Hui , Xu Yu‐Ge , Bai Xiao‐Ni , Lin Jian‐Hua , Xiang Zong‐Qin , Wang Tao , Xu Liang , Chen Gong 
Published: July 2024

AbstractIn vivo astrocyte‐to‐neuron (AtN) conversion induced by overexpression of neural transcriptional factors has great potential for neural regeneration and repair. Here, we demonstrate that a single neural transcriptional factor, Dlx2, converts mouse striatal astrocytes into neurons in a dose‐dependent manner. Lineage‐tracing studies in Aldh1l1‐CreERT2 mice confirm that Dlx2 can convert striatal astrocytes into DARPP32+ and Ctip2+ medium spiny neurons (MSNs). Time‐course studies reveal a gradual conversion from astrocytes to neurons in 1 month, with a distinct intermediate state in between astrocytes and neurons. Interestingly, when Dlx2‐infected astrocytes start to lose astrocytic markers, the other local astrocytes proliferate to maintain astrocytic levels in the converted areas. Unexpectedly, although Dlx2 efficiently reprograms astrocytes into neurons in the gray matter striatum, it also induces partial reprogramming of astrocytes in the white matter corpus callosum. Such partial reprogramming of white matter astrocytes is associated with neuroinflammation, which can be suppressed by the addition of NeuroD1. Our results highlight the importance of investigating AtN conversion in both the gray matter and white matter to thoroughly evaluate therapeutic potentials. This study also unveils the critical role of anti‐inflammation by NeuroD1 during AtN conversion.
Ecological implications of the pink salmon invasion in northern Norway—Aggregative responses and terrestrial transfer by white‐tailed eagles
Authors: Bonde Bror Mathias , Stien Audun 
Published: July 2024

AbstractOver the last 10 years, the spawning population of invasive pink salmon (Oncorhynchus gorbuscha) has increased in the river systems in northern Norway to a level that is causing concern about their impact on endemic fauna and ecosystem processes. The scale of transfer of pink salmon carcasses into the terrestrial ecosystem is likely to be a key determinant of terrestrial impact. Bears (Ursus sp.) are responsible for most such transfers in North America but are rare in Norway. The white‐tailed eagle (Haliaeetus albicilla) is common however, and a candidate to be a main cause of such transfers. To evaluate this hypothesis, data on the abundance of white‐tailed eagles and pink salmon were collected along the river Skallelv in northern Norway in 2021, a year the pink salmon spawned in the river, and in 2022, a year no pink salmon spawned in the river. The abundance of white‐tailed eagles along the river was much higher the year pink salmon spawned in the river. Furthermore, white‐tailed eagles were observed aggregating and catching pink salmon where and when pink salmon were present at the spawning and post‐spawning stages. Based on our observations, we suggest that the white‐tailed eagle is the main species involved in the transport of pink salmon from the river into the riparian zone in northern Norway and that other scavengers, in particular the red fox (Vulpes vulpes) and common raven (Corvus corax), play an important role in transporting pink salmon carcasses from the riparian zone to the wider terrestrial ecosystem.