bluuebunny/crossref_metadata_2025_split huggingface dataset:
Stabilizing Top Interface by Molecular Locking Strategy with Polydentate Chelating Biomaterials toward Efficient and Stable Perovskite Solar Cells in Ambient Air
Authors: Liu Baibai , Ren Xiaodong , Li Ru , Chen Yu , He Dongmei , Li Yong , Zhou Qian , Ma Danqing , Han Xiao , Shai Xuxia , Yang Ke , Lu Shirong , Zhang Zhengfu , Feng Jing , Chen Cong , Yi Jianhong , Chen Jiangzhao 
Published: February 2024

AbstractThe instability of top interface induced by interfacial defects and residual tensile strain hinders the realization of long‐term stable n–i–p regular perovskite solar cells (PSCs). Herein, one molecular locking strategy is reported to stabilize top interface by adopting polydentate ligand green biomaterial 2‐deoxy‐2,2‐difluoro‐d‐erythro‐pentafuranous‐1‐ulose‐3,5‐dibenzoate (DDPUD) to manipulate the surface and grain boundaries of perovskite films. Both experimental and theoretical evidence collectively uncover that the uncoordinated Pb2+ ions, halide vacancy, and/or I─Pb antisite defects can be effectively healed and locked by firm chemical anchoring on the surface of perovskite films. The ingenious polydentate ligand chelating is translated into reduced interfacial defects, increased carrier lifetimes, released interfacial stress, and enhanced moisture resistance, which should be liable for strengthened top interface stability and inhibited interfacial nonradiative recombination. The universality of the molecular locking strategy is certified by employing different perovskite compositions. The DDPUD modification achieves an enhanced power conversion efficiency (PCE) of 23.17–24.47%, which is one of the highest PCEs ever reported for the devices prepared in ambient air. The unsealed DDPUD‐modified devices maintain 98.18% and 88.10% of their initial PCEs after more than 3000 h under a relative humidity of 10–20% and after 1728 h at 65 °C, respectively.
Flexible Textile Antennas for 5G Using Eco‐Friendly Water‐Based Solution and Scalable Printing Processes
Authors: Tavares Joana , Loss Caroline , Pinho Pedro , Alves Helena 
Published: February 2024

AbstractFlexible textile antennas are important for wireless communication within the expansion of 5G and the Internet of Things (IoT), as it allows for their integration in daily life objects. However, achieving these functionalities in textiles is challenging because of limitations in the electronic performance, flexibility with scalable fabrication process. This paper presents two flexible textile antennas for wearable and non‐ wearable devices compatible with 5G technology created by printing highly conductive silver nanoparticle inks. Two textile substrates are explored, as the dielectric component, a 3D polyester, and a natural origin fabric, burel. The processes used are cost‐effective and scalable, with the antennas designed to operate at 3–3.5 GHz, maintaining their return loss performance even under bending deformation and washing cycles. By transferring the optimized devices into clothes and wall covering, a detailed analysis with experimental measurements of the textile‐based antenna for different operation scenarios is introduced. The work highlights the suitability of these antennas for wearable applications and their alignment with green wireless technologies, contributing to the advancement of sustainable wireless communication systems.
Asymmetric (3+2) Cycloaddition Employing β‐Fluoroalkylated α,β‐Unsaturated 2‐Acyl Imidazole Catalyzed by a Chiral‐at‐Metal Rhodium Complex
Authors: Zhao Yujie , Ji Xiang , Tian Xue , Zhao Zhifei , Pian Jixin , Li Shi‐Wu 
Published: February 2024

AbstractAn asymmetric 1,3‐dipolar cycloaddition of β‐fluoroalkylated α,β‐unsaturated 2‐acyl imidazole with nitrones or N,N’‐cyclic azomethine imines to construct chiral α‐fluoroalkylated γ‐amino alcohols or chiral α‐fluoroalkylated 1,3‐diamino compounds has catalyzed by chiral‐at‐metal rhodium complexes is reported. The corresponding products with three contiguous tertiary stereocenters were obtained in 62%–98% yields with stereoselectivities up to >20:1 dr and 99% ee. Remarkably, as low as 0.06 mol% of chiral‐at‐metal rhodium complex can promote a gram‐scale reaction with nitrones or N,N’‐cyclic azomethine imines.
Crosstalk Between NK Cell Receptors and Tumor Membrane Hsp70‐Derived Peptide: A Combined Computational and Experimental Study
Authors: Yazdi Mina , Hasanzadeh Kafshgari Morteza , Khademi Moghadam Fatemeh , Zarezade Vahid , Oellinger Rupert , Khosravi Mohammad , Haas Stefan , Hoch Cosima C. , Pockley Alan Graham , Wagner Ernst , Wollenberg Barbara , Multhoff Gabriele , Bashiri Dezfouli Ali 
Published: February 2024

AbstractNatural killer (NK) cells are central components of the innate immunity system against cancers. Since tumor cells have evolved a series of mechanisms to escape from NK cells, developing methods for increasing the NK cell antitumor activity is of utmost importance. It is previously shown that an ex vivo stimulation of patient‐derived NK cells with interleukin (IL)‐2 and Hsp70‐derived peptide TKD (TKDNNLLGRFELSG, aa450‐461) results in a significant upregulation of activating receptors including CD94 and CD69 which triggers exhausted NK cells to target and kill malignant solid tumors expressing membrane Hsp70 (mHsp70). Considering that TKD binding to an activating receptor is the initial step in the cytolytic signaling cascade of NK cells, herein this interaction is studied by molecular docking and molecular dynamics simulation computational modeling. The in silico results showed a crucial role of the heterodimeric receptor CD94/NKG2A and CD94/NKG2C in the TKD interaction with NK cells. Antibody blocking and CRISPR/Cas9–mediated knockout studies verified the key function of CD94 in the TKD stimulation and activation of NK cells which is characterized by an increased cytotoxic capacity against mHsp70 positive tumor cells via enhanced production and release of lytic granules and pro‐inflammatory cytokines.
Development of Complementary Photo‐arginine/lysine to Promote Discovery of Arg/Lys hPTMs Interactomes
Authors: Zong Yu , Weiss Nicole , Wang Ke , Pagano Alexandra E. , Heissel Søren , Perveen Sumera , Huang Jian 
Published: February 2024

AbstractArginine and lysine, frequently appearing as a pair on histones, have been proven to carry diverse modifications and execute various epigenetic regulatory functions. However, the most context‐specific and transient effectors of these marks, while significant, have evaded study as detection methods have thus far not reached a standard to capture these ephemeral events. Herein, a pair of complementary photo‐arginine/δ‐photo‐lysine (R‐dz/K‐dz) probes is developed and involve these into histone peptide, nucleosome, and chromatin substrates to capture and explore the interactomes of Arg and Lys hPTMs. By means of these developed tools, this study identifies that H3R2me2a can recruit MutS protein homolog 6 (MSH6), otherwise repelDouble PHD fingers 2 (DPF2), Retinoblastoma binding protein 4/7 (RBBP4/7). And it is disclosed that H3R2me2a inhibits the chromatin remodeling activity of the cBAF complex by blocking the interaction between DPF2 (one component of cBAF) and the nucleosome. In addition, the novel pairs of H4K5 PTMs and respective readers are highlighted, namely H4K5me‐Lethal(3)malignant brain tumor‐like protein 2 (L3MBTL2), H4K5me2‐L3MBTL2, and H4K5acK8ac‐YEATS domain‐containing protein 4 (YEATS4). These powerful tools pave the way for future investigation of related epigenetic mechanisms including but not limited to hPTMs.
High‐Frequency fT and fmax in Organic Transistors: Performance and Perspective
Authors: Darbandy Ghader , Pashaki Elahe Rastegar , Roemer Christian , Bonil Amric , Wang Juan , Iniguez Benjamin , Kleemann Hans , Kloes Alexander 
Published: February 2024

AbstractIn state‐of‐the‐art organic transistors, the transit frequency fT is reported to be fT = 40 MHz for vertical organic transistors, where a voltage‐normalized fT corresponds to 0.36 MHz V−2. The reported highest fT for conventional organic transistors is fT = 160 MHz, where the voltage‐normalized fT is 0.1 MHz V−2. While the reported transit frequency fT of n‐MOSFETs for silicon technology when normalized by the applied biases exceeds 300 GHz V−2. The reported carrier mobility of organic semiconductors is over 100 cm2 V−1 s−1, which is almost an order of magnitude lower than that of silicon. However, the transit frequency fT of organic transistors lags far behind silicon technology by about six orders of magnitude at a comparable device length below 300 nm. In this work, a technology computer‐aided design (TCAD) simulator is adjusted to the experimental DC and AC characteristics of the 200 nm device length vertical organic permeable‐base transistors (OPBTs) based on C60 as semiconductor. The AC performance of the devices is investigated and quantitatively analyzed the influence and contribution of key design, structure and material parameters that determine fT and fmax. The feasible ways to enhance and optimize the highest achievable fT and fmax are identified to reach the and overcome the limitations to high‐frequency operation in organic transistors.
Deep Multiphase Conversion Derived from NiTe2 Nanosheets with Preferred Kinetics for Highly Reversible Mild Aqueous Zinc–Tellurium Batteries
Authors: Si Jingying , Sun Yuanhe , Qi Rui , Lei Qi , Zhang Wei , Ren Zhiguo , Zhao Yuanxin , Li Haitao , Lin Mengru , Wen Wen , Zhang Jincang , Feng Zhenjie , Gao Yi , Li Xiaolong , Zhu Daming 
Published: February 2024

AbstractConversion‐type tellurium‐based cathodes have attracted great attention in aqueous zinc‐ion batteries (AZIBs) due to potentially high capacity with impressive Te4+/Te0/Te2− conversion. However, impeded by the low‐conductivity Te4+ species and unpreferred kinetics, realizing deep zinc‐tellurium redox remains a major challenge. Herein, energetic NiTe2 nanosheets are first proposed and implemented as preprepared tellurium‐based deep redox cathodes in AZIBs with accelerated electron transport and favorable kinetics. Operando synchrotron X‐ray diffraction and comprehensive ex situ characterizations demonstrate that Te4+ species from direct oxidation of NiTe2 in dilute mild‐aqueous electrolyte undergo a thermodynamic two‐step TeO2→Te→ZnTe discharge process, while the intertwined tellurium oxides and high‐conductivity nickel monomers derived in situ from NiTe2 nanosheets promote a kinetics‐preferred one‐step ZnTe→TeO2 charging conversion with significantly boosted reversibility. Therefore, a high capacity of 510 mAh g−1 at 50 mA g−1 and 93% capacity retention over 400 cycles at 2000 mA g−1 are established. Operando pH tracking and electrode‐electrolyte engineering analyses define that the mild electrolyte environment rich in moisture and electrode conductivity optimization are both critical for achieving reversible tellurium deep redox conversion.
Metal–organic frameworks with aggregation‐induced emission
Authors: Xu Hang , Cheng Peng 
Published: February 2024

AbstractAggregation‐induced emission (AIE) materials exhibit remarkable emission in the aggregated or solid state while demonstrating minimal emission in dilute solutions. In contrast to conventional luminescent materials, AIE luminogens (AIEgens) offer several advantages in the aggregate state, including high quantum yield, excellent photostability, and low background signals, making them highly promising for diverse applications. Integrating AIEgens into designable metal–organic frameworks (MOFs) enables tunable and well‐ordered AIE materials, allowing for precise control over photophysical properties and deeper exploration of AIE mechanisms. Numerous AIE MOFs have been constructed and investigated, and several reviews focus on their structure design and applications in sensing and bioimaging. This review highlights the state‐of‐the‐art advancements in AIE MOFs, including mechanisms, design strategies, and applications in chemical sensing, bioimaging, and disease therapy. The challenges associated with practical applications of AIE MOFs are also addressed, with an emphasis on their large‐scale production involved interdisciplinary collaboration. This comprehensive review aims at guiding further development of AIE MOFs and promoting their practical applications in analysis, healthcare, and other luminescence related fields.
Distinct gut microbiota alterations in patients with early‐stage and advanced‐stage hepatocellular carcinoma
Authors: Tsai Ming‐Chao , Kuo Yuan‐Hung , Tai Wei‐Chen , Yao Chih‐Chien , Chuah Seng‐Kee , Kee Kwong‐Ming , Wang Jing‐Houng , Chen Chien‐Hung 
Published: February 2024

AbstractGut microbiota (GM) alterations play a key role in the development of hepatocellular carcinoma (HCC); however, little is known about the changes in GM diversity during the progression of HCC. Thus, we analyzed the differences in the fecal microbiota of patients with early‐stage and advanced‐stage HCC. This cross‐sectional study examined stool samples from adults with early‐stage HCC (n = 31) and advanced‐stage HCC (n = 44). The taxonomic composition of the GM was determined by 16S ribosomal RNA gene sequencing of stool samples. There was no significant difference in the alpha‐diversity of the GM between groups; however, beta‐diversity was significantly different between the early‐stage and advanced‐stage groups. Further analysis indicated that the genus Veillonella, family Enterobacteriaceae, order Enterobactriales, and class Gammaproteobacteria were more abundant in the advanced‐stage group than the early‐stage group. Patients with early‐stage and advanced‐stage HCC exhibit different patterns of GM diversity. Furthermore, specific taxa—including Veillonella, Enterobacteriaceae, Enterobacteriales, and Gammaproteobacteria—are enriched in patients with advanced‐stage HCC.
Which intranasal corticosteroids can be used in patients on highly active antiretroviral therapy or pre‐exposure prophylactic?
Authors: Norris Meghan , Lopez Erin , Delgado Daniel Alicea , Thorp Brian , Klatt‐Cromwell Christine , Senior Brent , Kimple Adam , Ebert Charles S. 
Published: February 2024

Key points
All intranasal corticosteroid spray formulations are safe to use in patients on pre‐exposure prophylaxis.
Beclomethasone nasal spray can be used safely with all HAART and PrEP regimens.
Flavin‐N5OOH Functions as both a Powerful Nucleophile and a Base in the Superfamily of Flavoenzymes
Authors: Zhang Qiaoyu , Chen Qianqian , Shaik Sason , Wang Binju 
Published: February 2024

AbstractFlavoenzymes can mediate a large variety of oxidation reactions through the activation of oxygen. However, the O2 activation chemistry of flavin enzymes is not yet fully exploited. Normally, the O2 activation occurs at the C4a site of the flavin cofactor, yielding the flavin C4a‐(hydro)hydroperoxyl species in monooxygenases or oxidases. Using extensive MD simulations, QM/MM calculations and QM calculations, our studies reveal the formation of the common nucleophilic species, Flavin‐N5OOH, in two distinct flavoenzymes (RutA and EncM). Our studies show that Flavin‐N5OOH acts as a powerful nucleophile that promotes C−N cleavage of uracil in RutA, and a powerful base in the deprotonation of substrates in EncM. We reason that Flavin‐N5OOH can be a common reactive species in the superfamily of flavoenzymes, which accomplish generally selective general base catalysis and C−X (X=N, S, Cl, O) cleavage reactions that are otherwise challenging with solvated hydroxide ion base. These results expand our understanding of the chemistry and catalysis of flavoenzymes.
Pushing The Extreme of Multicentre Bonding: Planar Pentacoordinate Hydride
Authors: Sarmah Kangkan , Kalita Amlan J. , Purkayastha Siddhartha K. , Guha Ankur K. 
Published: February 2024

AbstractPlanar hypercoordination has sparkled interest among the researchers from last few decades. Most of the elements in the Periodic Table have shown this remarkable structural feature. However, the smallest element, hydrogen, is missing in the list. No evidence is there in the literature. Herein, we introduce the first planar pentacoordinate hydrogen atom (ppH) in the global minimum geometry of Li5H6− cluster. Bonding analysis indicates that the central hydrogen atom is stabilized by multicentre bonding with five surrounding Li atoms. Natural charge analysis reveals that the central hydrogen is acting like a hydride which is strongly attracted by the positively charged surrounding lithium centres. The ppH structure is stabilized by strong electrostatic attraction as well as extensive multicentre bonding. Aromaticity has no role to play here. The cluster is dynamically stable and is expected to be detected in gas phase.
Prolinyl Phosphoramidates of Nucleotides with Increased Reactivity
Authors: Humboldt Adrian , Rami Fabian , Topp Franka M. , Arnold Dejana , Göhringer Daniela , Pallan Pradeep S. , Egli Martin , Richert Clemens 
Published: February 2024

AbstractNucleoside monophosphates (NMPs) are the subunits of RNA. They are incorporated into growing complementary strands when sequences are copied in enzyme‐free reactions using organic leaving groups at the phosphates. Amino acids are rarely considered as leaving groups, but proline can act as a leaving group when N‐linked to NMPs, so that prolinyl NMPs hydrolyze in aqueous buffer at 37 °C, with half‐life times as short as 2.4 h, and they act as monomers in enzyme‐free primer extension. Still, their level of reactivity is insufficient for practical purposes, requiring months for some extensions. Herein we report the synthesis of eight substituted prolinyl AMPs together with seven related compounds and the results of a study of their reactivity. A δ‐carboxy prolinyl NMP was found to be converted with a half‐life time of just 11 min in magnesium‐free buffer, and a δ‐isopropyl prolinyl NMP was shown to react sevenfold faster than its prolinyl counterpart in enzyme‐free genetic copying of RNA. Our results indicate that both anchimeric and steric effects can be employed to increase the reactivity of aminoacidyl nucleotides, i.e. compounds that combine two fundamental classes of biomolecules in one functional entity.
Photocatalytic Upgrading of Polylactic Acid Waste into Alanine under Mild Conditions
Authors: Liu Chu‐Xuan , Liu Kesheng , Xu Yanjun , Wang Zhuan , Weng Yuxiang , Liu Fulai , Chen Yong 
Published: February 2024

AbstractPolylactic acid (PLA) has attracted increasing interest as a sustainable plastic because it can be degraded into CO2 and H2O in nature. However, this process is sluggish, and even worse, it is a CO2‐emitting and carbon resource waste process. Therefore, it is highly urgent to develop a novel strategy for recycling post‐consumer PLA to achieve a circular plastic economy. Herein, we report a one‐pot photoreforming route for the efficient and selective amination of PLA waste into value‐added alanine using CoP/CdS catalysts under mild conditions. Results show the alanine production rate can reach up to 2.4 mmol gcat−1 h−1, with a high selectivity (>75 %) and excellent stability. Time‐resolved transient absorption spectra (TAS) reveal that CoP can rapidly extract photogenerated electrons from CdS to accelerate proton reduction, favoring hole‐dominated PLA oxidation to coproduce alanine. This study offers an appealing way for upcycling PLA waste and creates new opportunities for green synthesis of amino acids.
A Halogen‐Bond‐Driven Artificial Chloride‐Selective Channel Constructed from 5‐Iodoisophthalamide‐based Molecules
Authors: Sharma Rashmi , Sarkar Susmita , Chattopadhayay Sandip , Mondal Jagannath , Talukdar Pinaki 
Published: February 2024

AbstractDespite considerable emphasis on advancing artificial ion channels, progress is constrained by the limited availability of small molecules with the necessary attributes of self‐assembly and ion selectivity. In this study, a library of small molecules based on 5‐haloisophthalamide and a non‐halogenated isophthalamide were examined for their ion transport properties across the lipid bilayer membranes, and the finding demonstrates that the di‐hexyl‐substituted 5‐iodoisophthalamide derivative exhibits the highest level of activity. Furthermore, it was established that the highest active compound facilitates the selective chloride transport that occurs via an antiport‐mediated mechanism. The crystal structure of the compound unveils a distinctive self‐assembly of molecules, forming a zig‐zag channel pore that is well‐suited for the permeation of anions. Planar bilayer conductance measurements proved the formation of chloride selective channels. A molecular dynamics simulation study, relying on the self‐assembled component derived from the crystal structure, affirmed the paramount significance of intermolecular hydrogen bonding in the formation of supramolecular barrel‐rosette structures that span the bilayer. Furthermore, it was demonstrated that the transport of chloride across the lipid bilayer membrane is facilitated by the synergistic effects of halogen bonding and hydrogen bonding within the channel.
Orthogonal Postsynthetic Copolymerization of Hydrogen‐Bonded Organic Frameworks into a PolyHOF Membrane
Authors: Liu Xiao , Ye Yingxiang , He Xu , Niu Qingyu , Chen Banglin , Li Zhiqiang 
Published: February 2024

AbstractHydrogen‐bonded organic frameworks (HOFs) have shown promise in various fields; however, the construction of HOF/polymer hybrid membranes that can maintain both structural and functional integrity remains challenging. In this study, we here fabricated a new HOF (HOF‐50) with reserved polymerizable allyl group via charge‐assisted H‐bonds between the carboxylate anion and amidinium, and subsequently copolymerized the HOF with monomers to construct a covalently bonded HOF/polymer hybrid (polyHOF) membrane. The resulting polyHOF membrane not only exhibits customizable mechanical properties and extreme stability, but also shows an exceptional ratiometric luminescent temperature‐sensing function with very high sensitivity and visibility even when the lanthanide content is two orders of magnitude lower than that of the reported mixed‐lanthanide metal–organic frameworks (MOFs) and lanthanide‐doped covalent organic frameworks (COFs). This orthogonal postsynthesis copolymerization strategy may provide a general approach for preparing covalently connected HOF/polymer hybrid membranes for diverse applications.
Performance estimation of switched linear systems via n×(n+2) generalized coordinate transformations
Authors: Lin Meili , Han Junfeng , Xu Yong 
Published: February 2024

AbstractFor a continuous‐time switched linear system, the spectral abscissa, that is, the maximum Lyapunov exponent, essentially characterizes the worst‐case asymptotic divergence or convergence rate under arbitrary switching. In this study, based on the
generalized coordinate transformation method, a computational algorithm is proposed to get the performance estimation of the switched linear system under arbitrary switching by estimating the spectral abscissa of the system. Simulation examples are presented to illustrate the effectiveness of the proposed scheme, which gives a better estimation of the spectral abscissa than the existing results.