bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mutational Landscape of Bone Marrow CD19 and CD138 Cells in Waldenström Macroglobulinemia (WM) and IgM Monoclonal Gammopathy of Undetermined Significance (IgM MGUS)
Authors: Trojani Alessandra , Beghini Alessandro , Bossi Luca Emanuele , Stefanucci Marta Rachele , Palumbo Cassandra , Greco Antonino , Frustaci Annamaria , Di Camillo Barbara , Cairoli Roberto 
Published: December 2024

ABSTRACTBackgroundDespite recurrent and activating mutations, including MYD88, CXCR4, ARID1A, KMT2D, and CD79B were identified, the genetic basis for Waldenström's Macroglobulinemia (WM) and the risk of progression of IgM MGUS to WM remain to be fully elucidated.MethodsWe investigated the mutation status of WM (n = 8), sWM (n = 7), and IgM MGUS (n = 5) patients, by performing high‐throughput targeted AmpliSeq NGS on 117 target genes. Specifically, we analyzed the CD19+ cells from 15 WM/sWM patients and five IgM MGUS patients. We also analyzed the CD138+ cells from four WM/sWM patients and two IgM MGUS patients.ResultsWe detected the classic mutation MYD88L265P in 93% of WM/sWM and in 60% of IgM MGUS patients. The CXCR4S338Ter mutation was identified in 26% of WM/sWM patients, whereas it was undetectable in IgM MGUS subjects. Interestingly, we identified new mutated genes, including WNK2 somatic mutations affecting 46% of WM/sWM patients, for which a recurrent allelic variant (V1635Ter) was observed in this cohort. Moreover, sequencing evaluation revealed recurrently frameshift or missense mutations involving NFKB2 (L473Afs) in 60% of IgM MGUS and 20% of WM/sWM, PTPN13 (P1546Tfs) in 20% of IgM MGUS and 7% of WM/sWM, CARD11 (S622del) in 20% of IgM MGUS and 20% of WM/sWM, KMT2C (I823T) in all IgM MGUS and 93% of WM/sWM, and ATM in 20% of IgM MGUS and 47% of WM/sWM patients.ConclusionIn conclusion, we uncovered new insights into the mutational landscape of WM, depicting a more complex involvement of the NF‐kB pathway, and providing evidence of the recurrence of some variants (MYD88, IL17RB, NFKB2, ATM, CARD11, PTPN13, and WNK2) also in IgM MGUS.
Novel Approaches in Targeting Cell Surface and Secreted Proteins for Lysosomal Degradation
Authors: Eldeeb Mohamed A. , Hohman Grace , Shahid Michael 
Published: December 2024

AbstractProtein degradation is pivotal for all biochemical aspects of cellular function. In mammalian cells, protein degradation is mediated mainly by the ubiquitin proteasome system (UPS) and the autophagic‐lysosomal system (ALS). Over the last two decades, different types of targeted protein degradation approaches have been developed including proteolysis targeting chimeras (PROTACs) and lysosome targeting chimeras (LYTACs), which employ the UPS to degrade intracellular proteins and the ALS to degrade extracellular and membrane proteins respectively. Nevertheless, Current targeted membrane protein degradation approaches face some inherent challenges including limited target protein degradation efficacy and cell type specific applicability. Herein, we highlight some recent developments of novel targeted membrane protein degradation modalities that exhibit wide‐applicability and high protein degradation efficiency. These novel membrane protein degraders hold tremendous promise as new pharmacological and biochemical tools in targeting membrane and secretory proteins for lysosomal degradation.
Ruthenium‐Doped Copper Nanowires for Nitrite/Nitrate to Ammonia Conversion and Their Integration in Zinc–Nitrite Batteries
Authors: Rios‐Studer Tobias , Chen Zhengfan , Nickel Christean , Feng Fan , Sowa Kevin , Oseghe Ekemena O. , Akbari Sina Sadigh , Rahali Sarra , Prädel Leon , Lieberwirth Ingo , Zhang Guangjin , Gao Dandan , Liu Rongji , Streb Carsten 
Published: December 2024

AbstractThe electrochemical reduction of nitrite (NO2−) and nitrate (NO3−) not only enables sustainable, circular routes to produce ammonia (NH3), but also eliminates pollutants in groundwater. In this article, we report a facile synthesis of Ru‐doped Cu nanowires on Cu foam electrodes with low Ru (0.48 wt.%) loading. The composite electrode shows high‐performance in the NO2−/NO3− to NH3 electroreduction, giving NH3 Faradaic efficiency of up to 100% and NH3 yield rates up to 33.2 mg h−1 cm−2 at −0.2 V versus RHE in NO2− reduction. For the nitrate‐to‐ammonia reduction, the electrode also shows high activity with Faradaic efficiency of 88.4% (at −0.6 V versus RHE) and a yield rate of 62.5 mg h−1 cm−2 (at −1.0 V versus RHE). We show that the electrode can easily be integrated into a Zn–nitrite battery, giving a power density of 9.1 mW cm−2, a NH3 yield rate of 1.88 mg h−1 cm−2 and a nitrite‐to‐ammonia Faradaic efficiency of 88.9% at a current density of 20 mA cm−2. The system combines three productive outputs, that is removal of NOx− pollutants, synthesis of valuable NH3 and generation of “green” electricity.
Biocatalytic Reductive Amination for In Vitro Biosynthesis of the Amaryllidaceae Alkaloid Precursor
Authors: Zhang Yuhao , Huang Shuhui , Liu Wan‐Qiu , Li Jian 
Published: December 2024

AbstractAmaryllidaceae alkaloids (AAs) are plant‐derived natural compounds with diverse bioactivities. To biosynthesize AAs, 4′‐O‐methylnorbelladine (4′‐MB) is a key precursor that is first formed by C–N coupling between tyramine and 3,4‐dihydroxybenzaldehyde catalyzed by a NADPH‐dependent reductase. However, 3,4‐dihydroxybenzaldehyde is oxygen sensitive and not stable due to its catechol moiety when constructing an in vitro enzymatic system for 4′‐MB synthesis. To address this issue, we design an artificial biosynthetic route to synthesize 4′‐MB. First, we choose isovanillin instead of 3,4‐dihydroxybenzaldehyde as an alternative substrate. Then, a short‐chain dehydrogenase/reductase (SDR) from Zephyranthes treatiae is utilized to couple tyramine and isovanillin. After demonstrating the synthesis of 4′‐MB, we optimize the whole biocatalytic system with enhanced performance. The final enzymatic system can be reused for multiple cycles with the help of a crystalline inclusion protein (CipB)‐mediated enzyme immobilization. Additionally, we scale up the reaction system from 50 µL to 10 mL, generating approximately 800 µM of 4′‐MB. We envision that our work will provide an efficient and sustainable approach to produce 4′‐MB, which could support the large‐scale production of Amaryllidaceae plant‐originated natural products.
Hybrid Inclusion Materials Based on Chiral Nematic Mesoporous Organosilica with Incorporated Cyclodextrin Receptors
Authors: Szymkowiak Joanna K. 
Published: December 2024

AbstractThe creation of multicomponent materials with desired properties and functions is a challenge of modern materials chemistry. Chiral nematic mesoporous organosilicas have iridescent properties that make them attractive for decoration and sensing. In this paper, we demonstrate the chemical functionalization of chiral nematic mesoporous organosilica films with cyclodextrin. In this way, we have been able to create chiral nematic mesoporous films with macrocyclic molecules on the surface to obtain a new class of hybrid inclusion materials.
Microwave‐Assisted Synthesis of Platinum‐free High‐Entropy Alloy Catalysts on Reduced Graphene Oxide Sheets for Enhanced Oxygen Reduction and Evolution Reactions
Authors: Bib Khan Jala , Kumar Panda Pradeep , Dash Pranjyan , Hsieh Chien‐Te 
Published: December 2024

AbstractNano‐sized high‐entropy materials (HEMs) recently received more attention to researchers due to their superior electrochemical catalytic properties. HEMs comprise at least five elements with or without metals and are synthesized through solid‐state reactions and solution‐mediated techniques. The presence of many elements in these HEMs result in a high mixing entropy and facilitates the formation of stable solid solutions in fundamental crystal structures. Herein, Pt‐free high‐entropy alloys (HEAs) were synthesized through facile and straightforward pulse microwave (PM) synthesis technique, which serve as efficient electrochemical catalysts for the oxygen evolution reaction (OER) and oxygen reduction reaction (ORR). The PM synthesis method was conducted at an extremely low temperature (100 °C) without any external catalytic reagents. Using this PM technique, Cr18.2Zr13.5Ti5.3Co17.8Ni8.4Cu8.5Fe28.3 and Al15.3Mn18.2Ti3.7Co23.2Ni5.9Cu5.9Fe27.8 HEAs catalysts were synthesized with superior catalytic activity towards OER and ORR and compare its activities with pure Pt catalysts. The as‐prepared HEAs also display an anti‐CO poisoning effect and long‐term durability, as compared to pure Pt catalysts. The low‐temperature PM approach not only confirms the feasibility of synthesis of noble metal‐free HEAs but also validates their superior catalytic activity towards OER and ORR, which is beneficial for the development of proton exchange membrane fuel cells and proton exchange membrane water electrolysis.
Biomimetic Pseudopeptides to Decipher the Interplay between Cu and Methionine‐Rich Domains in Proteins
Authors: Badillo‐Gómez Joel I. , Suarez‐Antuña Irene , Mazurenko Ievgen , Biaso Frédéric , Pécaut Jacques , Lojou Elisabeth , Delangle Pascale , Hostachy Sarah 
Published: December 2024

AbstractMaintaining tightly copper homeostasis is crucial for the survival of all living organisms, in particular microorganisms like bacteria. They have evolved a number of proteins to capture, transport and deliver Cu(I), while avoiding Fenton‐like reactions. Some Cu proteins exhibit methionine‐rich (Met‐rich) domains, whose role remains elusive. In this work, we designed biomimetic compounds recapitulating the possible Cu(I) binding sites in these domains, in order to examine the parameters important for Cu(I) binding. Five different biomimetic pseudopeptides were synthesized, exhibiting either three methionines or two methionines and a third amino acid likely to be present in the Met‐rich domain. The affinities for Cu(I) of these model binding sites were determined, as well as their redox properties and behavior in the presence of Cu(II). Our results highlight the importance of Met residues, and their abundance in Met‐rich domains, to efficiently bind Cu(I) in the periplasmic space.
Reductive Zincke Reaction: Opening of Pyridinium Rings to δ‐Amino Ketones via Transfer Hydrogenation
Authors: Qi Leiming , Chen Zhenyu , Aïssa Christophe , Xiao Jianliang 
Published: December 2024

AbstractThe Zincke reaction and Birch reduction have been one of the few reactions that allow for ring opening of pyridines ever since the discovery of pyridine more than a century ago. This paper presents a new addition to the list of pyridine ring‐opening reactions, reductive Zincke reaction, which affords saturated δ‐amino ketones. Under the catalysis of a simple rhodium complex, pyridinium salts with diverse substituents are reduced with formic acid, ring‐opened with water, transaminated with a secondary amine and further reduced to afford a wide range of δ‐amino ketones, including those in which the alkane chain of the ketones is selectively deuterated or fluorinated. The applicability of the reaction is exemplified by the synthesis of drug analogues and late‐stage modification of drug molecules.
Kinetic Modelling and Machine Learning Approaches on the Conductance Transients of Zn0.5Ni0.5Fe2O4 Sensors for Addressing Cross‐sensitivity towards Ethanol and Acetone Vapors
Authors: Bhagat B. , Paine S. , Manna B. , Choudhury A. , Mukherjee K. 
Published: December 2024

AbstractThe accurate discrimination among various volatile organic compounds, especially ethanol and acetone possess a serious concern for metal oxide based chemiresistive sensors. The work presents a systematic approach to address the issue by utilizing superior sensing potentiality of Zn0.5Ni0.5Fe2O4 coupled with efficient machine learning (ML) techniques. The work provides a thorough understanding on the synthesis, characterization of Zn0.5Ni0.5Fe2O4 nanoparticles and evaluates their sensing performance towards ethanol and acetone vapors. The optimized sensor performance recorded under varying concentrations (100–1000 ppm) of analytes across the range of temperature (225–300 °C) provides lesser selectivity between acetone and ethanol. The Langmuir‐Hinshelwood reaction mechanism was invoked further to address the selectivity issue by modelling the response transients of the sensor to get an insight into sensing interaction at a microscopic level. The estimated activation energy values of ethanol (0.26 eV) have been found to be smaller compared to that of acetone (0.34 eV), explaining little higher response of the sensor towards ethanol. Moreover, some efficient ML algorithms were employed to predictively analyze the acquired sensing data for achieving more precise discriminations between these two analytes.
Photoexcited Hantzsch Ester Anions Enabled C−F Bond Activation and Hydro‐Difluoroalkylation of Arylethylenes Through Dual‐SET Process
Authors: Li Nan , Si Jia‐Le , Xu Meng‐Yu 
Published: December 2024

AbstractIn this study, we reported a new approach to activate the C−F bond of trifluoromethylarenes to achieve the hydro‐difluoroalkylation of arylethylenes using photoexcited Hantzsch esters (HEs) anions. A wide range of α,α‐difluoroalkanes was synthesized. Late‐stage functionalization of drug molecules and synthesis of bioactive molecule bioisostere were also presented. Mechanistic studies revealed that the dual‐single electron transfer (SET) process of HEs anion was the key to this reaction.
Synthesis and Properties of Symmetrical and Asymmetrical Polyferrocenylmethylenes
Authors: Feuerstein Aylin , Rittner Till , Boßmann Blandine , Gießelmann Elias C. J. , Schu Justin , Morgenstern Bernd , Gallei Markus , Schäfer André 
Published: December 2024

AbstractThe synthesis of differently substituted polyferrocenylmethylenes (PFM) via ring‐opening transmetalation polymerization (ROTP) is reported. A number of novel, symmetrically and asymmetrically substituted carba[1]magnesocenophanes have been prepared, which were used as precursors and allowed investigations of the influence of different substitution patterns on the PFM polymer properties. The novel carba[1]magnesocenophanes have been fully characterized by 1H and 13C{1H} NMR spectroscopy, and structurally authenticated by single‐crystal X‐ray diffraction (SC‐XRD). The corresponding PFMs were obtained with molecular weights in a range of Mw=1900 g mol−1 up to 15100 g mol−1 and corresponding dispersities of Đ=1.48 to 1.81. All PFMs have been fully characterized by 1H and 13C{1H} NMR spectroscopy, as well as by gel permeation chromatography (GPC), thermal gravimetric analysis (TGA) and matrix assisted laser desorption ionization‐time‐of‐flight (MALDI‐ToF) mass spectrometry. Pyrolysis of spyrocyclic substituted PFM resulted in a ceramic yield above 50 %, while the obtained residue was characterized by powder X‐ray diffraction (PXRD).
Interfacial Synergism in NiMoO4/FeOOH Heterostructure for Enhanced Alkaline Oxygen Evolution and Urea Oxidation
Authors: Chen Junyi , Wang Jing , Lou Dongsheng , Xiang Yingying , Sun Tongming , Tang Yanfeng , Wang Minmin 
Published: December 2024

AbstractFeOOH with excellent catalytic properties for oxygen evolution and also considered to be a true active site has attracted great interest in recent years. However, the intrinsic low conductivity limits its catalytic performance. Herein, a one‐dimensional core‐shell NiMoO4/FeOOH heterojunction with high OER activity and stability was developed. At current densities of 10 and 100 mA cm−2, low overpotentials of 194 and 266 mV are need to drive oxygen evolution, meanwhile, the electrode exhibits high catalytic kinetics with small Tafel slopes of 53.4 mV dec−1 and excellent stability over 100 hours. Further analysis showed that the ultrathin FeOOH layer (~5 nm) uniformly covered the surface of NiMoO4 nanorods, acting as an active species and facilitating the surface change transfer to the interior. The internal NiMoO4 cores, on the other hand, provides reliable electron transmission as a highly conductive medium, and can effectively overcome the low conductivity of FeOOH. DFT calculations further manifest the strong electronic interactions between NiMoO4 and FeOOH species. The NiMoO4 core serves as mass transport of active materials is beneficial to tune the adsorption energy of OH− on the surface of electrocatalysts.
Graphene Oxide as a Self‐Carbocatalyst to Facilitate the Ring‐Opening Polymerization of Glycidol for Efficient Polyglycerol Grafting
Authors: Zou Yajuan , Ohkura Kentaro , Ortiz‐Anaya Israel , Kimura Ryota , Bianco Alberto , Nishina Yuta 
Published: December 2024

AbstractGrafting carbon‐based nanomaterials (CNMs) with polyglycerol (PG) improves their application potentials in biomedicine and electronics. Although “grafting from” method offers advantages over “grafting to” one in terms of operability and versatility, little is known about the reaction process of glycidol with the surface groups onto CNMs. By using graphene oxide (GO) as a multi‐functional model material, we examined the reactivity of the surface groups on GO toward glycidol molecules via a set of model reactions. We reveal that carboxyl groups spontaneously react with the epoxide ring with no need of catalyst, while GO catalyzes the reactions of hydroxyl groups with the epoxide of glycidol. In addition, the hydroxyl group of glycidol can open the epoxide in the basal plane of GO. The subsequent polymerization of PG is supposed to propagate at the primary and/or the secondary hydroxyl groups, generating a ramified PG macromolecule with random branch‐on‐branch topology. In addition, ketones, benzyl esters and aromatic ethers are found not to react with glycidol even in the presence of GO, while the aldehydes are easily oxidized into carboxyl groups under ambient condition, behaving then as the carboxyl groups. Our findings pose the foundation for understanding the polymerization mechanism of PG on CNMs.
The Application of Deuteration Strategy in Drug Design
Authors: Chen Yuzhu , Du Yunfei 
Published: December 2024

AbstractDeuterated drugs, which are derived from the subtle exchange of a protium atom with a deuterium atom in drug molecules, exhibit significant differences in pharmaceutical characteristics compared to their parent drugs. With the advantages of improving pharmacokinetic properties, reducing toxicity, inhibiting the interconversion between chiral drugs and restricting drug interactions, deuterated drugs have attracted widespread attention from medicinal chemists. This review highlights the application of deuteration strategies in drug design, summarizing the progress of all deuterated drugs available in the market or still under investigation to provide a reference for all researchers engaged deuterated drug development.
Small‐Molecule Fluorescent Probes for Butyrylcholinesterase
Authors: Lin Zibo , Liao Yuanyuan , Tian Donglei , Liao Junyu , Chen Qiong , Yin Jun 
Published: December 2024

AbstractButyrylcholinesterase plays an indispensable role in organisms, and its abnormal expression poses a significant threat to human health and safety, covering various aspects including liver‐related diseases, diabetes, obesity, cardiovascular and cerebrovascular diseases, and neurodegenerative diseases. In addition, toxic substances such as organophosphorus and carbamate pesticides markedly inhibit BChE activity. BChE activity serves as a critical parameter for the clinical diagnosis of acute organophosphorus pesticide poisoning and the evaluation of organophosphorus and carbamate pesticide residues. Therefore, the accurate and reliable detection of butyrylcholinesterase activity is particularly urgent and important for in‐depth analysis of its biological function, diagnosis and therapy of related diseases, drug screening and sensitive detection of pesticide residues. Fluorescent probes have become a promising tool for sensing and imaging of butyrylcholinesterase, due to its advantages of high spatio‐temporal resolution, high selectivity, non‐invasive, high sensitivity, and tailored molecule structures. Here, this paper provides a comprehensive overview of the research progress in the sensing, imaging and therapy of butyrylcholinesterase utilizing fluorescent probes. This paper might be a useful guideline for researchers to design new high‐performance fluorescence probes for BChE, and making further contributions to this intriguing field.
Boosting oxygen electrode efficiency using engineered CuO/Cu2O/C nanostructure
Authors: Hazarika Kumar Kashyap , Bhuyan Shaheen Parveez , Chetry Rashmi , Bharali Pankaj 
Published: December 2024

AbstractThe key ongoing challenge is to design and develop effective and inexpensive oxygen reduction reaction (ORR) catalysts to replace Pt‐based ones for commercial use in fuel cells. Owing to its abundance and tunable electronic properties, in the current work, the synthesis of highly dispersed mixed valent copper oxide electrocatalyst is reported. The EC exhibits a high mass activity of 9.8 mA mg−1 and a high current density of 5.3 mA cm−2 in contrast to the benchmark (20 wt%) Pt/C catalyst in a 0.1‐M KOH solution for ORR. The significantly high electrochemical activity at the cathode is believed to be due to the presence of the Cu(II)/Cu(I) redox pair. Furthermore, the catalyst has been shown to be highly stable, maintaining a high current retention of 78% for up to 24 h. Furthermore, the engineered material is also active for the oxygen evolution reaction, making it a viable replacement for conventional Pt/C in alkaline fuel cells.
A Phase 1, Open‐Label, Randomized, Two‐Part Study in Healthy Adult Volunteers to Evaluate the Bioavailability of the Maribavir Powder for Oral Suspension, as Well as Food Effect and Impact of Rabeprazole
Authors: Campagne Olivia , Ilic Katarina , Gabriel Andre , Sueda Katsuhiko , Ye Ran , Zhang Fangqiu , Xu Peixin , Ko Hnin Hnin , Sun Kefeng 
Published: December 2024

AbstractThe relative bioavailability and impact of food and the proton pump inhibitor rabeprazole on the pharmacokinetics of a maribavir powder‐for‐oral‐suspension formulation was investigated in a Phase 1 open‐label study in healthy adult volunteers. A single 200‐mg maribavir dose was administered as the commercial tablet (Treatment A), powder formulation (Treatment B), or powder formulation with a high‐fat/high‐calorie meal (Treatment C) in Part 1, and as the powder formulation alone (Treatment D) or following administration of rabeprazole 20 mg once daily for 5 days (Treatment E) in Part 2. Maribavir maximum plasma concentration following Treatment B was 18% lower versus Treatment A, whereas the area under the concentration‐time curve (AUC) from time 0 to the last quantifiable concentration or infinity were similar. Maribavir maximum plasma concentration, AUC from time 0 to the last quantifiable concentration, and AUC from time 0 to infinity were reduced by 42%, 18%, and 18% (Treatment C vs Treatment B), and by 51%, 30%, and 11% (Treatment E vs Treatment D), respectively. A clinically significant reduction in maribavir exposure is not expected when maribavir powder formulation is taken with food or proton pump inhibitors. Participants assessed the powder for oral suspension as easy to swallow and having an acceptable taste/texture. Safety profiles for maribavir formulations in this study were consistent with those previously published.