bluuebunny/crossref_metadata_2025 huggingface dataset:
Dye‐Incorporated Carbonized Polymer Dots with Tunable Solid‐State Emission Based on Intraparticle Förster Resonance Energy Transfer
Authors: Wang Yu , Qin Yingxi , Tian Wenming , Zhang Hongyu , Wang Fengya , Yan Xianchang , Rong Shiqi , HuangFu Changxin , Shi Yushu , Wang Zhenming , Yang Lihua , Zhi Hui , Qin Aimiao , Feng Liang
Published: July 2024

Carbonized polymer dots (CPDs) exhibiting tunable solid‐state emission (SSE) show great promise as rare‐earth‐free functional phosphors. Nevertheless, progress in this field has been hindered by the structural heterogeneity of CPDs and a lack of fundamental understanding of the underlying emission mechanisms. In this work, a universal approach is presented for the large‐scale, controlled synthesis of CPDs with tailored SSE properties. This strategy leverages intraparticle Förster resonance energy transfer (FRET) by incorporating selected fluorophores into self‐assembled CPDs nanostructures. The resulting CPDs exhibit exceptional SSE characteristics, such as high quantum yields, adjustable band structures, narrow emission linewidths, and excellent photostability in both solution and solid‐state. Moreover, the multifunctional capabilities of these CPDs are demonstrated, including efficient light harvesting, their potential as nanocarriers, and their application in light‐emitting diodes (LEDs). This findings establish self‐assembly‐mediated doping as a robust platform for engineering CPDs with unique SSE properties, underpinned by the principles of intraparticle FRET.
In Situ TEM Investigation of the Lithiation and Delithiation Process Between Graphene Sheets in the Presence of Atomic Defects
Authors: Li Yueliang , Börrnert Felix , Ghorbani‐Asl Mahdi , Biskupek Johannes , Zhang Xuemei , Zhang Yongsheng , Bresser Dominic , Krasheninnikov Arkady V. , Kaiser Ute
Published: July 2024

Using advanced in situ transmission electron microscopy, the lithiation and delithiation processes into graphene sheets are studied and significant differences are detected in the structural evolution of the system. Thin fcc lithium crystals with faceted shapes are formed between graphene sheets during lithiation, but are transformed into irregular patches during delithiation. It is found that defects such as vacancies in graphene and impurity atoms play the key role in these processes. Specifically, during intercalation the lithium crystals nucleate at vacancies in graphene, while upon delithiation the impurity oxygen atoms initially embedded at octahedral interstitial positions inside the lithium crystals agglomerate at the edges of the crystals, thus giving rise to the formation of amorphous lithium oxide patches, where lithium ions are trapped.
Triboelectric Nanogenerators Powered Hydrogen Production System Using MoS2/Ti3C2 as Catalysts
Authors: Dai Xianggang , Wu Xiaobo , Yao Boyuan , Hong Zhanyong , Jiang Tao , Wang Zhong Lin
Published: July 2024

Hydrogen energy is an alternative to carbon‐based fuels due to its zero pollution and high energy density. The electrolysis of water, driven by triboelectric nanogenerators (TENGs), is considered as a promising green method for hydrogen production. 2D transition metal carbides/nitrides can be used as catalyst carriers, through interface engineering to prepare molybdenum disulfide/titanium dioxide (MoS2/Ti3C2) composites for accelerating the kinetics of hydrogen evolution reaction (HER). In this work, a multilayered rotating TENG (MR‐TENG) is designed to convert rotating mechanical energy into electrical energy for constructing a self‐powered hydrogen production system. MoS2/Ti3C2 composites are utilized as electrodes for electrolyzing water, which can enhance the catalytic activity in the HER. The output performance of the MR‐TENG and its managed charging performance when integrating with a constant voltage power management module are investigated. Besides the application demonstrations of powering a digital thermometer, an anemometer, and a commercial incandescent lamp, the power‐managed MR‐TENG is applied to generate electricity for water electrolysis, and realize a hydrogen evolution rate of 7.1 mL min−1 at the rotation speed of 90 rpm. This work provides an effective approach to the self‐powered production of high‐purity green hydrogen based on renewable blue energy utilization with important industrial application prospects.
Asymmetrical Elongation of Branched Alkyl Chains in Non‐Fullerene Acceptors for Large‐Area Organic Solar Modules
Authors: Kim Bomi , Lee Yang‐Soo , Um DuHyeon , Jeong Won , Lee Seul , Kim Kwangmin , Nam GyuMin , Hwang Hyegyeong , Kim SuHyun , Kim Taeyoon , Lee Kwanghee , Kang Hongkyu , Kim BongSoo
Published: July 2024

With the drive toward the development of large‐area organic solar cells (OSCs), there is a critical need for advanced fabrication techniques that ensure both their efficiency and scalability. In particular, a shift from toxic halogenated solvents to safer non‐halogenated alternatives such as o‐xylene, which have lower environmental and health impacts, is required. However, transitioning to non‐halogenated solvents can lead to serious problems, including aggregation within the active layer, which compromises film morphology and the resulting efficiency of OSCs. To address this aggregation, in the present study, the 2‐ethylhexyl (EH) groups in L8‐BO(EH‐EH) are replaced with longer chains (2‐heptylundecyl [HU], 2‐decyltetradecyl [DT], and 2‐dodecylhexadecyl [DH] groups) to synthesize the non‐fullerene acceptors (NFAs) of L8‐BO(HU‐HU), L8‐BO(HU‐DT), and L8‐BO(HU‐DH). The NFAs with the longer alkyl chains are highly soluble in o‐xylene and produce highly uniform films, making them more suitable for use in large‐area OSCs. Using the NFAs, slot‐die‐coated organic solar modules with an active area of 200 cm2 are fabricated; the L8‐BO(HU‐DT)‐based module exhibits an impressive power conversion efficiency of 11.44%. This work thus underscores the asymmetrical elongation of alkyl chains in the NFAs to mitigate severe NFA phase separation and improve film printability in the practical production of organic solar modules.
In situ Blending For Co‐Deposition of Electron Transport and Perovskite Layers Enables Over 24% Efficiency Stable Inverted Solar Cells
Authors: Wang Wanhai , Li Xiaofeng , Huang Pengyu , Yang Li , Gao Liang , Jiang Yonghe , Hu Jianfei , Gao Yinhu , Che Yuliang , Deng Jidong , Zhang Jinbao , Tang Weihua
Published: July 2024

Simplifying the manufacturing processes of multilayered high‐performance perovskite solar cells (PSCs) is yet of vital importance for their cost‐effective production. Herein, an in situ blending strategy is presented for co‐deposition of electron transport layer (ETL) and perovskite absorber by incorporating (3‐(7‐butyl‐1,3,6,8‐tetraoxo‐3,6,7,8‐tetrahydrobenzo‐ [lmn][3,8]phenanthrolin‐2(1H)‐yl)propyl)phosphonic acid (NDP) into the perovskite precursor solutions. The phosphonic acid‐like anchoring group coupled with its large molecular size drives the migration of NDP toward indium tin oxide (ITO) surface to form a distinct ETL during perovskite film forming. This strategy circumvents the critical wetting issue and simultaneously improves the interfacial charge collection efficiencies. Consequently, n‐i‐p PSCs based on in situ blended NDP achieve a champion power conversion efficiency (PCE) of 24.01%, which is one of the highest values for PSCs using organic ETLs. This performance is notably higher than that of ETL‐free (21.19%) and independently spin‐coated (21.42%) counterparts. More encouragingly, the in situ blending strategy dramatically enhances the device stability under harsh conditions by retaining over 90% of initial efficiencies after 250 h in 100 °C or 65% humidity storage. Moreover, this strategy is universally adaptable to various perovskite compositions, device architectures, and electron transport materials (ETMs), showing great potential for applications in diverse optoelectronic devices.
Investigating the Stable Structures and Topological Insulator Characteristics of Honeycomb AuTe Monolayer Through Decorating with Alkali Metal Atoms, as well as the Effects of Strain and Layering: a First‐Principle Study
Authors: Faraji Mehrdad , Yalameha Shahram , Hosseine Mojtaba , Bafekry Asadollah
Published: July 2024

In this study, first‐principles calculations are used to systematically study the structural, mechanical, and optical properties of the honeycomb AuTe monolayer, as well as the influence of layered structures on their stability and electronic properties. Additionally, the effect of alkali metal atoms decorating AuTe‐X (X = Li, Na, K) and related structural, electronic, optical, and topological insulator properties, along with the biaxial strain on the lithium‐decorated AuTe‐Li monolayer are investigated. The AuTe monolayer shows metallic characteristics, and when alkali metal atoms are decorated onto it, the resulting structures remain dynamically stable. Notably, the introduction of Li, Na, and K atoms induces bandgap opening in the decorated Li and Na monolayers near the Fermi level, causing metal‐to‐narrow bandgap semiconductor and Dirac semi‐metal transitions. Conversely, the metallic nature of the decorated AuTe‐K monolayer is retained. The emergence of a bandgap near the Fermi level, caused by alkali metal decoration, triggers a topological phase transition in AuTe‐Li, AuTe‐Na, and AuTe‐K monolayers. Optical analyses reveal that AuTe‐K decorated structure enhances light absorption in the visible spectrum. Consequently, the findings provide insights into the decoration of these two‐dimensional material monolayers, potentially advancing research and motivating the production of such monolayers for current nanodevice applications.
Adenosine Deaminase‐Like Gene‐Carried Lentivirus Toolkit for Identification of DNA N6‐Methyladenine Origins
Authors: Liang Ziyu , Chen Shaokun , Li Yao , Lai Weiyi , Wang Hailin
Published: July 2024

Post‐replicative DNA N6‐methyladenine (pr6mdA) can form via bona fide methylase‐catalyzed adenine methylation, playing a pivotal role in embryonic development and other biological processes. Surprisingly, pre‐methylated adenine can be erroneously incorporated into DNA as misincorporated N6‐methyladenine (i6mdA) via DNA polymerase‐mediated replication. Despite pr6mdA and i6mdA sharing identical chemical structures, their biological functions diverge significantly, presenting a substantial challenge in distinguishing between the two. Here, for the first‐time, it is exploited that the adenosine deaminase‐like (Adal) protein and a corresponding activity‐null mutant to construct an Adal lentivirus toolkit. With this newly designed toolkit, both pr6mdA and i6mdA can be identified and quantified simultaneously. The presence of 6mdA in the bone marrow cells of mice is shown, with its levels serving as indicators for growth with age, probably reflecting the cellular stress‐caused changes in RNA decay, nucleotide pool sanitation, and transcription. Collectively, a powerful toolkit to advance understanding of both pr6mdA and i6mdA is demonstrated.
Near‐Infrared Emissive Super Penetrating Conjugated Polymer Dots for Intratumoral Imaging in 3D Tumor Spheroid Models
Authors: Karabacak Soner , Çoban Başak , Yıldız Ahu Arslan , Yıldız Ümit Hakan
Published: July 2024

This study describes the formation of single‐chain polymer dots (Pdots) via ultrasonic emulsification of nonionic donor‐acceptor‐donor type (D–A–D) alkoxy thiophene–benzobisthiadiazole‐based conjugated polymers (Poly BT) with amphiphilic cetyltrimethylammonium bromide (CTAB). The methodology yields Pdots with a high cationic surface charge (+56.5 mV ± 9.5) and average hydrodynamic radius of 12 nm. Optical characterization reveals that these Pdots emit near‐infrared (NIR) light at a maximum wavelength of 860 nm owing to their conjugated polymer backbone consisting of D–A–D monomers. Both colloidal and optical properties of these Pdots make them promising fluorescence emissive probes for bioimaging applications. The significant advantage of positively charged Pdots is demonstrated in diffusion‐limited mediums such as tissues, utilizing human epithelial breast adenocarcinoma, ATCC HTB‐22 (MCF‐7), human bone marrow neuroblastoma, ATCC CRL‐2266 (SH‐SY5Y), and rat adrenal gland pheochromocytoma, CRL‐1721 (PC‐12) tumor spheroid models. Fluorescence microscopy analysis of tumor spheroids from MCF‐7, SH‐SY5Y, and PC‐12 cell lines reveals the intensity profile of Pdots, confirming extensive penetration into the central regions of the models. Moreover, a comparison with mitochondria staining dye reveals an overlap between the regions stained by Pdots and the dye in all three tumor spheroid models. These results suggest that single‐chain D–A–D type Pdots, cationized via CTAB, exhibit long‐range mean free path of penetration (≈1 µm) in dense mediums and tumors.
AI‐Powered Mining of Highly Customized and Superior ESIPT‐Based Fluorescent Probes
Authors: Huang Wenzhi , Huang Shuai , Fang Yanpeng , Zhu Tianyu , Chu Feiyi , Liu Qianhui , Yu Kunqian , Chen Fei , Dong Jie , Zeng Wenbin
Published: July 2024

Excited‐state intramolecular proton transfer (ESIPT) has attracted great attention in fluorescent sensors and luminescent materials due to its unique photobiological and photochemical features. However, the current structures are far from meeting the specific demands for ESIPT molecules in different scenarios; the try‐and‐error development method is labor‐intensive and costly. Therefore, it is imperative to devise novel approaches for the exploration of promising ESIPT fluorophores. This research proposes an artificial intelligence approach aiming at exploring ESIPT molecules efficiently. The first high‐quality ESIPT dataset and a multi‐level prediction system are constructed that realized accurate identification of ESIPT molecules from a large number of compounds under a stepwise distinguishing from conventional molecules to fluorescent molecules and then to ESIPT molecules. Furthermore, key structural features that contributed to ESIPT are revealed by using the SHapley Additive exPlanations (SHAP) method. Then three strategies are proposed to ensure the ESIPT process while keeping good safety, pharmacokinetic properties, and novel structures. With these strategies, >700 previously unreported ESIPT molecules are screened from a large pool of 570 000 compounds. The ESIPT process and biosafety of optimal molecules are successfully validated by quantitative calculation and experiment. This novel approach is expected to bring a new paradigm for exploring ideal ESIPT molecules.
Acceleration and Deceleration Behavior of Skyrmion Controlled by Curvature Gradient in Elliptical‐Ring Track
Authors: Cai Na , Liu Yan
Published: July 2024

The potential of skyrmions as information carriers in spintronic devices has garnered significant attention. In this paper, the study investigates the current driven movement behavior of skyrmions in elliptical‐ring tracks (ERTs). The findings suggest that the curvature gradient of ERTs can either increase or decrease skyrmion velocity. The increase in velocity aids in transmitting skyrmions, while the decrease in velocity helps in intercepting them. Based on the transmission and interception of skyrmion controlled by the curvature gradient of the ERT, the study has designed diode, logic NOT, AND, and OR gates. The feasibility and robustness of these devices are demonstrated through micromagnetic simulations. The research provides valuable insights and recommendations for designing skyrmion‐based devices with curved geometries.
Azoniafluorenones: A New Family of Two‐Electron Storage Electrolytes for Sustainable Near‐Neutral pH Aqueous Organic Flow Battery
Authors: Artault Maxime , Gonzalez Gabriel , Damlin Pia , Toivola Juho , Mailman Aaron , Hannonen Jenna , Pihko Petri M , Peljo Pekka
Published: July 2024

Fluorenones are suitable candidates for negolytes in flow batteries, as they demonstrate the ability to store 2 electrons, and can achieve reversibility, solubility, and stability with appropriate molecular design. However, limitations persist such as the use of alkaline media, high redox potentials, and a limited scope for optimization. Herein, azoniafluorenones is reported as a novel class of negolytes. They can be readily accessed in a highly modular fashion from inexpensive commercially available materials (e.g., boronic acids). Variations in the substitution patterns reveal the 3‐substituted N‐alkylated AZON3, which demonstrates excellent solubility at neutral pH (1.64 m) with two low reversible redox potentials (−0.31 and −0.58 V vs Ag/AgCl). AZON3 exhibits high stability when evaluated at high concentration in a neutral supporting electrolyte (1 m in 3 m KCl), paired with BTMAP‐Fc on the positive side. Capacity retentions of 99.95% and 99.91% per cycle (99.35% and 99.21% per day) are achieved when cycling with 1 and 2 electrons, respectively, coupled with high volumetric capacity of 46.4 Ah L−1 (87% of capacity utilization).
Evaluation of chlorination and exposure to protease enzymes for singulating Greenshell™ mussel (Perna canaliculus) spat from spat‐collector rope
Authors: Himiona Kayleb , Jeffs Andrew G. , Skelton Bradley M.
Published: July 2024

The early stages of mussel farming are often inefficient with a large proportion of seed (spat) typically lost early in the production cycle. An effective approach for decreasing such losses is to grow spat to larger sizes in nursery systems prior to seeding. However, for such an approach to be commercially viable, spat must first be separated from their settlement substrates into a single seed format, that is, singulated. This study investigated the efficacy of three commercial protease enzymes (Enzidase PAP, PXT and BAP) and chlorine (NaOCl) in singulating Greenshell mussel (Perna canaliculus) spat from spat‐collector ropes. Two distinct experiments involved immersing segments of spat collector rope in seawater solutions with varying concentrations (2.5% or 5%) of each enzyme or chlorine (NaOCl) for different exposure times (10, 30 and 60 min for enzymes; 2 and 5 min for chlorine). After the singulation experiments, all spat were recovered with sieves and reintroduced into the tanks with renewed seawater. After 24 h of rearing, the recovery of alive spat was measured. Results indicate that in Experiment 1, involving spat ∼5 mm in size, the singulation rate was up to 65% for protease enzymes (i.e., in the case of 5% PAP at 30 min) and 61% for chlorine (i.e., at 5% for 2 min). In Experiment 2, involving spat ∼1.5 mm in size, the singulation rate was up to 85% for protease enzymes (i.e., in the case of 5% PXT for 60 min) and 78% for chlorine (i.e., of 2.5% for 5 min). However, these treatments generally resulted in elevated spat mortality, which was exacerbated by increasing concentrations and exposure times, resulting in recovery rates of up to 35% (i.e., for 2.5% PAP for 30 min) in Experiment 1 and 26.0% (i.e., for 5% chlorine for 2 min) in Experiment 2. These findings emphasise the necessity for consideration of chemical concentrations and exposure times to optimise the singulation process while highlighting challenges in achieving high post‐singulation survival rates. These insights contribute to ongoing efforts aimed at improving the efficiency and sustainability of mussel farming practices, demonstrating the potential utility of protease enzymes and chlorination in singulating spat from settlement substrate prior to their transfer to nursery systems for further ongrowing.
Grazing cover crops increases soil microbial biomass in Texas semiarid ecoregion
Authors: Mubvumba Partson , DeLaune Paul B. , Gentry Terry J.
Published: July 2024

Integrated crop‐livestock systems (ICLS) bring diversity to agricultural systems, enhancing soil ecosystem services, food production, and environmental sustainability. Resource utilization efficiency practices under semiarid ecoregions include dual systems that grow wheat (Triticum aestivum L.) for both grain and grazing (G) and recently complementary to wheat dual systems, cover crops (CC) for feeding both the soil and cattle during the fallow period. The latter continues to generate interest and there is a paucity of information on associated biochemical cycles. The objective was to evaluate the impact of CC and grazing thereof on soil microbiota structure, diversity, proliferation, and nutrient cycling. Introducing CC to no‐till (NT [NTC]) and grazing CC (NTCG [ICLS]), increased total PLFA biomass (TPB) for ungrazed CC (NTC) by 12%, and grazed CC (NTCG [ICLS]) by 20%; total bacteria biomass (TBB) by 10% for NTC and 24% for NTCG; total fungal biomass (TFB) by 9% for NTC and 21% for NTCG. The CC significantly increased Gram (−) bacteria biomass by 17% and 34% for NTC and NTCG, respectively; the CC significantly increased Gram (+) bacteria biomass by 6% and 12% for NTC and NTCG, respectively; and the CC significantly increased arbuscular mycorrhizal fungi by 55% and 89% for NTC and NTCG respectively, compared to NT fallow practice. Significant correlations were observed for NO3−–N, NH4+–N, water‐extractable organic nitrogen, total nitrogen, and water‐extractable organic carbon with TPB, TBB, and TFB using Haney soil health methods. Based on the measured parameters, the soil health status decreased in the order NTCG > NTC > NT > CT, where NT is the no‐till, C is the cover crop, G is the grazing, and CT is the conventional‐till. Grazing CC enhanced soil bacterial biomass over CC in solitude.
How many future dementia cases would be missed by a high‐risk screening program? A retrospective cohort study in a population‐based cohort
Authors: Walsh Sebastian , Wallace Lindsay , Merrick Richard , Hayat Shabina , Luben Robert , Mytton Oliver , Lafortune Louise , Brayne Carol
Published: July 2024

INTRODUCTION

Risk prediction models aim to identify those at high risk to receive targeted interventions. We aimed to identify the proportion of future dementia cases that would be missed by a high‐risk screening program.

METHODS

We identified validated dementia risk prediction models from systematic reviews. We applied these to European Prospective Investigation of Cancer Norfolk, a large population‐based cohort of 30,387 individuals with 29 years of linked healthcare data.

RESULTS

A maximum of 16.0% (14.7,17.2) and 31.9% (30.2,33.5) of cases arose from the highest risk decile and quintiles, respectively. For every 1000 people considered to be at high risk, a maximum of 235 (215, 255) developed dementia.

DISCUSSION

Seven in every 10 cases of dementia arose from people at normal risk, and eight in every 10 people at high risk did not develop dementia. Individual‐level prevention approaches targeted at high‐risk groups are unlikely to produce large reductions in disease incidence at the population level.

Highlights

Dementia, a significant public health challenge, is not an inevitability of aging; risk reduction is possible.

Several dementia risk prediction models have been validated in the general population, and these aim to identify people at high risk of the disease who can then be targeted with primary prevention interventions. An alternative prevention approach is to focus on interventions that reduce risk across the population, irrespective of risk status.

In our study, seven out of every ten people who developed dementia during 29 year follow‐up were classed as ‘normal‐risk’ (rather than ‘high risk’) at baseline. Eight out of every ten people who were at high risk at baseline did not go on to develop dementia.

Even if effective, dementia risk reduction efforts based upon targeted high‐risk approaches are unlikely to reduce incidence of disease at the population level.
Fevogrit, a polyherbal medicine, mitigates endotoxin (lipopolysaccharide)‐induced fever in Wistar rats by regulating pro‐inflammatory cytokine levels
Authors: Balkrishna Acharya , Sharma Sonam , Gohel Vivek , Singh Rani , Tomer Meenu , Dev Rishabh , Sinha Sandeep , Varshney Anurag
Published: July 2024

Background

Fever is characterized by an upregulation of the thermoregulatory set‐point after the body encounters any pathological challenge. It is accompanied by uncomfortable sickness behaviors and may be harmful in patients with other comorbidities. We have explored the impact of an Ayurvedic medicine, Fevogrit, in an endotoxin (lipopolysaccharide)‐induced fever model in Wistar rats.

Methods

Active phytoconstituents of Fevogrit were identified and quantified using ultra‐high‐performance liquid chromatography (UHPLC) platform. For the in‐vivo study, fever was induced in male Wistar rats by the intraperitoneal administration of lipopolysaccharide (LPS), obtained from Escherichia coli. The animals were allocated to normal control, disease control, Paracetamol treated and Fevogrit treated groups. The rectal temperature of animals was recorded at different time points using a digital thermometer. At the 6‐h time point, levels of TNF‐α, IL‐1β and IL‐6 cytokines were analyzed in serum. Additionally, the mRNA expression of these cytokines was determined in hypothalamus, 24 h post‐LPS administration.

Results

UHPLC analysis of Fevogrit revealed the presence of picroside I, picroside II, vanillic acid, cinnamic acid, magnoflorine and cordifolioside A, as bioactive constituents with known anti‐inflammatory properties. Fevogrit treatment efficiently reduces the LPS‐induced rise in the rectal temperature of animals. The levels and gene expression of TNF‐α, IL‐1β and IL‐6 in serum and hypothalamus, respectively, was also significantly reduced by Fevogrit treatment.

Conclusion

The findings of the study demonstrated that Fevogrit can suppress LPS‐induced fever by inhibiting peripheral or central inflammatory signaling pathways and could well be a viable treatment for infection‐induced increase in body temperatures.
Regulating Spin Polarization via Axial Nitrogen Traction at Fe−N5 Sites Enhanced Electrocatalytic CO2 Reduction for Zn−CO2 Batteries
Authors: Bao Yanran , Xiao Jiayong , Huang Yongkang , Li Youzhi , Yao Siyu , Qiu Ming , Yang Xiaoxuan , Lei Lecheng , Li Zhongjian , Hou Yang , Wu Gang , Yang Bin
Published: July 2024

Single Fe sites have been explored as promising catalysts for the CO2 reduction reaction to value‐added CO. Herein, we introduce a novel molten salt synthesis strategy for developing axial nitrogen‐coordinated Fe‐N5 sites on ultrathin defect‐rich carbon nanosheets, aiming to modulate the reaction pathway precisely. This distinctive architecture weakens the spin polarization at the Fe sites, promoting a dynamic equilibrium of activated intermediates and facilitating the balance between *COOH formation and *CO desorption at the active Fe site. Notably, the synthesized FeN5, supported on defect‐rich in nitrogen‐doped carbon (FeN5@DNC), exhibits superior performance in CO2RR, achieving a Faraday efficiency of 99 % for CO production (−0.4 V vs. RHE) in an H‐cell, and maintaining a Faraday efficiency of 98 % at a current density of 270 mA cm−2 (−1.0 V vs. RHE) in the flow cell. Furthermore, the FeN5@DNC catalyst is assembled as a reversible Zn−CO2 battery with a cycle durability of 24 hours. In situ IR spectroscopy and density functional theory (DFT) calculations reveal that the axial N coordination traction induces a transformation in the crystal field and local symmetry, therefore weakening the spin polarization of the central Fe atom and lowering the energy barrier for *CO desorption.
Schalten der Sauerstoffaffinität zwischen Anthracenen und Naphthalinen
Authors: Fudickar Werner , Linker Torsten
Published: July 2024

Hier wird das Design einer Anthracenyl–Naphthyl (ANT‐NAPH)‐Dyade und ihre Verwendung als lumineszierender 4‐Stufen Fotoschalter vorgestellt. Beide Segmente können unabhängig mit Singulett‐Sauerstoff reagieren, womit eine optische Rückmeldung unterbrochen wird. In der ursprünglichen Form reagiert der höher konjugierte ANT‐Teil deutlich schneller, womit die Stufe ANTO2‐NAPH eingeschaltet wird. Dies wird durch Fluoreszenz des verbleibenden NAPH‐Teils signalisiert. Zur Herabsetzung seiner Reaktivität, wurde ANT mit zwei Pyridinringen substituiert. Damit wurden zu Anfang getrennt vorliegende ANT‐ und NAPH‐Einheiten untersucht und die Reaktivität quantifiziert. Mit Protonierung der Pyridine ist eine deutlich langsamere Reaktion von ANT zu beobachten. Unter den drei verfügbaren Pyridyl‐Isomeren verstärkt sich dieser Effekt entlang der Reihe meta<para<ortho. Beim ortho‐Isomer schaltet sich das Reaktivitätsverhältnis endgültig von ANT nach NAPH um. Anwendung dieses Konzeptes an einer Dyade erlaubt es nun die ANT‐NAPHO2‐Stufe einzuschalten. Hier wird das Signal durch ANT‐Fluoreszenz gegeben. Damit wird die Sequenz aus Protonierung‐Oxygenierung‐Neutralisation zur einzigen Methode, um die nicht favorisierte Dyade‐Form ANT‐NAPHO2 zu isolieren. Da in der Dyade die Chromophore ANT und NAPH direkt verbunden sind, folgt aus ihrer Kopplung eine nicht‐oxygenierte dritte Stufe, in der die Fluoreszenz der NAPH Einheit ausgelöscht und die der ANT Einheit verstärkt ist. Aus der Reaktion beider Teile zu ANTO2‐NAPHO2 folgt schließlich eine vierte Stufe, die „dunkle“ Form.
Photocatalytic Multisite Functionalization of Unactivated Terminal Alkenes by Merging Polar Cycloaddition and Radical Ring‐Opening Process
Authors: Liu Haidong , Wang Yi‐Peng , Wang Hui , Ren Kewei , Liu Longfei , Dang Luzhen , Wang Cheng‐Qiang , Feng Chao
Published: July 2024

Although highly appealing for rapid access of molecular complexity, multi‐functionalization of alkenes that allows incorporation of more than two functional groups remains a prominent challenge. Herein, we report a novel strategy that merges dipolar cycloaddition with photoredox promoted radical ring‐opening remote C(sp3)−H functionalization, thus enabling a smooth 1,2,5‐trifunctionalization of unactivated alkenes. A highly regioselective [3+2] cycloaddition anchors a reaction trigger onto alkene substrates. The subsequent halogen atom transfer (XAT) selectively initiates ring‐opening process, which is followed by a series of 1,5‐hydrogen atom transfer (1,5‐HAT) and intermolecular fluorine atom transfer (FAT) events. With this method, site‐selective introduction of three different functional groups is accomplished and a broad spectrum of valuable β‐hydroxyl‐ϵ‐fluoro‐nitrile products are synthesized from readily available terminal alkenes.
Genetic structure and demographic history ofAnguilla bicolorfrom Tanzania based on mitochondrial cytochrome oxidase I sequence: Implications for effective management and conservation strategies
Authors: Elmy Farhiya Ismail , Gaspare Lydia , Mfilinge Prosper Laurent , Lusana James Leonard
Published: July 2024

A genetic analysis was conducted onAnguilla bicolorfrom Tanzania using the mitochondrial COI region. The study aimed to understand the population genetic structure and demographic history ofA. bicolor. In this study, 42 samples ofA. bicolorwere collected from the Lower Rufiji River Basin and Pangani River in Tanzania between January and June 2023. The mtDNA COI sequences of 65A. bicolorfrom various Indo‐Pacific countries were retrieved from GenBank. 2.

The findings revealed an overall high haplotype diversity (0.83 ± 0.033) and moderate nucleotide diversity (0.63% ± 0.000).

A limited genetic differentiation between populations was observed (FST = −0.00322,p = 0.0494), indicating gene flow, leading to an absence of population structure. The haplotype network tree also supported a panmictic stock in the Indo‐Pacific region with 44 haplotypes clustered around three principal haplotypes.

Furthermore, the significantly overall negative values of both Tajima'sD(−2.27,p = 0.002) and Fu's Fs (−26.36,p = 0.000) and the multimodal mismatch distribution suggested the presence of multiple demographic events inA. bicolorpopulations.

Given the lack of substantial genetic structure among populations, managing the fishery as a single‐stock unit is advised, aligning with the current fisheries management practices in Tanzania. It is also crucial to ensure habitat quality along migratory paths to facilitate genetic exchange and long‐term species viability.
A computational model for single cell Lamin‐A structural organization after microfluidic compression
Authors: Maremonti Maria Isabella , Causa Filippo
Published: July 2024

In recent years, nuclear mechanobiology gained a lot of attention for the study of cell responses to external cues like adhesive forces, applied compression, and/or shear‐stresses. In details, the Lamin‐A protein—as major constituent of the cell nucleus structure—plays a crucial role in the overall nucleus mechanobiological response. However, modeling and analysis of Lamin‐A protein organization upon rapid compression conditions in microfluidics are still difficult to be performed. Here, we introduce the possibility to control an applied microfluidic compression on single cells, deforming them up to the nucleus level. In a wide range of stresses (~1–102 kPa) applied on healthy and cancer cells, we report increasing Lamin‐A intensities which scale as a power law with the applied compression. Then, an increase up to two times of the nuclear viscosity is measured in healthy cells, due to the modified Lamin‐A organization. This is ascribable to the increasing assembly of Lamin‐A filament‐like branches which increment both in number and elongation (up to branches four‐time longer). Moreover, the solution of a computational model of differential equations is presented as a powerful tool for a single cell prediction of the Lamin‐A assembly as a function of the applied compression.
Design and Synthesis of Isatin‐Tagged Isoniazid Conjugates with Cogent Antituberculosis and Radical Quenching Competence: In‐vitro and In‐silico Evaluations
Authors: Gavadia Renu , Rasgania Jyoti , Sahu Neetu , Varma‐Basil Mandira , Chauhan Varsha , Kumar Sanjay , Mor Satbir , Singh Devender , Jakhar Komal
Published: July 2024

In pursuit of potential chemotherapeutic alternates to combat severe tuberculosis infections, novel heterocyclic templates derived from clinically approved anti‐TB drug isoniazid and isatin have been synthesized that demonstrate potent inhibitory action against Mycobacterium tuberculosis, and compound 4i with nitrophenyl motif exhibited the highest anti‐TB efficacy with a MIC value of 2.54 μM/ml. Notably, the same nitro analog 4i shows the best antioxidant efficacy among all the synthesized compounds with an IC50 value of 37.37 μg/ml, suggesting a synergistic influence of antioxidant proficiency on the anti‐TB action. The titled compounds exhibit explicit binding affinity with the InhA receptor. The befitting biochemical reactivity and near‐appropriate pharmacokinetic proficiency of the isoniazid conjugates is reflected in the density functional theory (DFT) studies and ADMET screening. The remarkable anti‐TB action of the isoniazid cognates with marked radical quenching ability may serve as a base for developing multi‐target medications to confront drug‐resistant TB pathogens.
Effect of Spag11a gene knockout on the epididymis in mice: A histopathological and molecular analyses
Authors: Aisha Jamil , Sangeeta Kumari , Yenugu Suresh
Published: July 2024

The sperm‐associated antigen 11a (Spag11a) gene is exclusively expressed in the caput epididymis. Our previous studies demonstrated that small interfering RNA (siRNA)‐mediated ablation of this gene resulted in increased proliferation of epididymal epithelial cells. Further, active immunization‐mediated ablation of SPAG11A protein increased the susceptibility of male reproductive tract tissues to diethylnitrosamine (DEN)‐induced tumorigenesis. In this study, we report that the caput epididymis of Spag11a knockout mice displayed hyperplasia and inflammation, while the caput epididymis of wild‐type mice exhibited normal anatomical structure. Global transcriptome analyses in the caput epididymis of knockout mice indicated differential expression of genes involved in a variety of cellular processes. The Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analyses suggested that the absence of Spag11a may activate microRNAs associated with cancer, chemical carcinogenesis‐receptor activation, and chemical carcinogenesis‐DNA adducts pathways; which may contribute to the promotion of tumorigenesis in the epididymis. The susceptibility of caput epididymis to chemically induced carcinogenesis in Spag11a knockout mice was analyzed. Histological analyses indicated that while the epididymis of wild‐type mice did not show any signs of tumorigenesis, knockout mice displayed hyperplasia, anaplasia, dysplasia, neoplasia, and inflammation in the caput epididymis. Our results provide concrete evidence that deletion of Spag11a induces histopathological and molecular changes that contribute to tumorigenesis. It is possible that the expression of Spag11a gene could be one of the reasons for the rarity of epididymal cancers. The involvement of an epididymal gene in tumorigenesis is being demonstrated for the first time.
Induced expression of AMOT reverses adriamycin resistance in breast cancer cells
Authors: Zhang Haige , Wang Yingyi , Gao Ya , Du Mingming , Pan Erhu , Sun Mingliang , Zhang Xiaozhi
Published: July 2024

Adriamycin (ADR) is widely used against breast cancer, but subsequent resistance always occurs. YAP, a downstream protein of angiomotin (AMOT), importantly contributes to ADR resistance, whereas the mechanism is largely unknown. MCF‐7 cells and MDA‐MB‐231 cells were used to establish ADR‐resistant cell. Then, mRNA and protein expressions of AMOT and YAP expressions were determined. After AMOT transfection alone or in combination with YAP, the sensitivity of the cells to ADR were evaluated in vitro by examining cell proliferation, apoptosis, and cell cycle, as well as in vivo by examining tumor growth. Additionally, the expressions of proteins in YAP pathway were determined in AMOT‐overexpressing cells. In the ADR‐resistant cells, the expression of AMOT was decreased while YAP was increased, respectively, and the nucleus localization of YAP was increased at the same time. After AMOT overexpression, these were inhibited, whereas the cell sensitivity to ADR was enhanced. However, the AMOT‐induced changes were significantly suppressed by YAP knockdown. The consistent results in vivo showed that AMOT enhanced the inhibition of ADR on tumor growth, and inhibited YAP signaling, evidenced by decreased levels of YAP, CycD1, and p‐ERK. Our data revealed that decreased AMOT contributed to ADR resistance in breast cancer cells, which was importantly negatively mediated YAP. These observations provide a potential therapy against breast cancer with ADR resistance.
Osteopoikilosis—the incidental finding of a rare bone dysplasia: A case report
Authors: Rosa‐Juana Tejera‐Pérez , Ana Aguilar‐López , Julia Marfil‐Daza , Sara Castaño‐Pérez
Published: July 2024

Key Clinical Message

Osteopoikilosis is an asymptomatic osteosclerotic dysplasia, of autosomal dominant inheritance, which does not cause deformity or alteration in bone development, of incidental diagnosis. The differential diagnosis should be made with osteoblastic metastases, among others, especially if it is asymmetric and in patients over 50 years of age.

Osteopoikilosis is a rare benign bone disease, characterized by the appearance of bone islands in the osseous tissue, which could be confused with bone metastasis. We present the case of a 69‐year‐old man, in whom the presence of multiple punctate lesions spread throughout the skeleton was discovered after an accidental fall with a fracture of the T11 vertebral body complicated by acute osteomyelitis. The importance of this clinical case lies in the need to rule out neoplastic cause after the vertebral fracture, since osteopoikilosis is usually an incidental finding and the specific characteristics of the radiological image would avoid unnecessary interventions.
On‐surface Synthesis of Multiple Non‐benzenoid Carbohelicenes Fused with Fluorene Unit(s)
Authors: Xiong Wei , Geng Xi , Lu Jianchen , Niu Gefei , Fu Boyu , Zhang Yi , Li Shicheng , Yang Yuhang , Li Nianqiang , Gao Lei , Cai Jinming
Published: July 2024

Comprehensive Summary

Carbohelicenes have garnered considerable attention for their inherent chirality and structural flexibility. Increasing multi‐helicity and incorporating non‐six‐membered rings to substitute benzenoid rings within helicenes are effective strategies for introducing unique photoelectric properties. Despite the disclosure of numerous helicenes, the inaccessible precursors and the lack of synthetic routes pose a challenge in achieving desired helicene structures fused with non‐benzenoid rings. Herein, we report the synthesis of multiple non‐benzenoid carbohelicenes fused with fluorene unit(s) through intramolecular cyclodehydrogenation of 9,10‐di(naphthalen‐1‐ yl)anthracene on Au(111) surface. Two potential cyclodehydrogenation manners between naphthyl and anthracene lead to the formation of fluorene‐fused [5]helicene and [4]helicene moiety. Consequently, a total of four stable products were observed. The atomic topographies of products are characterized by bond‐resolving scanning tunneling microscopy. The chiral helicity of targeted products can be switched by tip manipulation. Density‐functional‐theory calculations unveils the reaction pathway of four products. The comparative analysis of their respective energy barriers exhibits a correlation with the experimentally determined yields. Furthermore, we synthesize the polymer chains incorporating non‐benzenoid carbohelicenes via the Ullmann reaction of 2,6‐dibromo‐9,10‐di(1‐naphthyl)anthracene precursors. Our work proposes a synthetic methodology for several novel helicene‐like structures fused with fluorene units and the polymer bearing helicene subunits, thus highlighting the immense potential of these compounds in the application fields of luminescent electronic devices.
Performance evaluation of different machine learning algorithms for prediction of nitrate in groundwater in Thiruvannamalai District
Authors: Jacob Christina , Masilamani Uma Shankar
Published: July 2024

The prevalence of nitrates (NO3−) in groundwater due to the extensive application of fertilizers and anthropogenic sources pollutes the groundwater. Machine learning (ML) techniques are now being increasingly deployed to achieve high precision in predicting water quality. This study assesses the efficacy of nine distinct ML algorithms, namely, linear regression, polynomial regression, decision tree, random forest (RF), support vector machine, multilayer perceptron regressor, eXtreme gradient boosting (XGB), light gradient boosting (LGB), and K‐nearest neighbors to predict nitrate concentration in the groundwater in Thiruvannamalai District, Tamil Nadu. Overall, 360 water samples for 1 year and 14 groundwater variables were determined to predict nitrate. Performance evaluation metrics such as root mean square error (RMSE), moving average error (MAE), and correlation coefficient (R2) were evaluated for pre‐monsoon, monsoon, and post‐monsoon seasons. For all three seasons, RF predicted the nitrate concentration with low values of RMSE, MAE, and higher values of R2. The results show values for RF with: RSME: 0.49, MAE: 1.30, and R2: 0.94, which has a higher prediction tailed by LGB and XGB and is true for all the seasons. The results from the study will aid the policymakers in planning the strategy for remediation.
Real‐world genetic testing outcomes of pan‐cancer testing for mismatch repair deficiency
Authors: Chai Teresa S. , Rodgers‐Fouche Linda H. , Walls Jenna O. , Mattia Anthony R. , Chung Daniel C.
Published: July 2024

Background

In 2017, the Food and Drug Administration approved pembrolizumab for treatment of any mismatch repair–deficient (dMMR) tumor making MMR immunohistochemistry (IHC) testing beneficial for all tumor types. For the first time, MMR IHC was not performed exclusively to screen for Lynch syndrome (LS).

Methods

In this study, all MMR IHC reports issued between 2017 and 2021 at an academic hospital were reviewed and completion of genetic testing was determined through chart review. Colorectal cancers (CRCs), endometrial cancers (ECs), and noncancerous lesions were excluded.

Results

Between 2017 and 2021, MMR IHC was completed in 1939 patients with a malignancy other than CRC or EC. Absent or weak staining for at least one MMR protein was detected in 115 (5.9%) patients and 59 (51%) of those completed germline genetic testing. Overall, the identification rate of LS in this cohort was 0.72%, which is similar to the rate in our previously reported CRC and EC universal screening cohort. A diagnosis of LS was most commonly made in patients with dMMR brain (18.75%) and small intestinal cancers (10.20%). Five additional patients were found to carry a pathogenic variant in a non‐LS gene.

Conclusions

Pan‐cancer MMR testing for pembrolizumab consideration can identify LS cases at a rate similar to universal CRC and EC screening programs. A persistent challenge is subsequent uptake of genetic testing. MMR testing should be prioritized in brain and small intestinal tumors, and multigene panel testing is recommended in patients with dMMR, as unexpected pathogenic variants in non‐LS genes were found as frequently as LS gene variants.
The Bioequivalence of Abexinostat (CRA‐024781) Tosylate Tablets (20 mg) in Chinese Healthy Subjects Under Fasting Conditions
Authors: Li Xiang , Guo Wenqiang , Chen Jian , Tan Gewen
Published: July 2024

This study aimed to investigate the pharmacokinetic parameters of single oral administration of postchange and prechange abexinostat (CRA‐024781) tosylate tablets in Chinese healthy subjects under fasting conditions, and assess the bioequivalence (BE) of the 2 formulations (Test [T1] and Reference [T2]). This study was a randomized, open‐label, 2‐formulation, fasting administration, single‐dose, 2‐sequence, 2‐cycle, crossover BE study. Thirty‐six subjects were enrolled in the study and 33 subjects completed 2 cycles. The plasma concentrations were determined by liquid chromatography‐tandem mass spectrometry. The 90% confidence intervals (CIs) for the Cmax, AUC0‐t, and AUC0‐∞ of CRA‐024781 and its 2 major metabolites (PCI‐27789 and PCI‐27887, both metabolites are pharmacologically inactive on HDAC1) fell within the acceptable range of 80%‐125%. The results suggest that the CRA‐024781 test preparation (Test [T1]) is bioequivalent to the reference preparation (Reference [T2]) in healthy Chinese subjects under fasting conditions.
Molecular Insights of 5‐Hydroxymethylfurfural in a Mixture of Ionic Liquids and Alkylated Phenolic Solvents
Authors: Jha Sweta , Sappidi Praveenkumar
Published: July 2024

This paper presents all‐atom molecular dynamics to understand the separation behavior of 5‐hydroxymethylfurfural (5‐HMF) from 1‐butyl‐3‐methylimidazolium tetrafluoroborate [BMIM]+[BF4]− using alkylated phenols as extractants. We have utilized four solvents such as 4‐methyl phenol (4‐MP), 4‐ethyl phenol (4‐EP), 4‐propyl phenol (4‐PP), and 4‐butyl phenol (4‐BP). We perform structural, dynamic, and rigorous thermodynamic analyses of 5‐HMF in the mixture of ILs and solvents. The [BMIM]+[BF4]− show a strong interaction with phenols. The self‐diffusion coefficient of 5‐HMF shows a 3‐fold increase with a decrease in the methyl group on the phenol. The solvation‐free energy (ΔGsolvation) of 5‐HMF shows favorably in phenols. On the other hand, the transfer free energy (ΔGtransfer) of 5‐HMF presents favorable from ILs to phenols. The partition coefficient (log P) values show favorability for separation of 5‐HMF using phenols. Overall, the molecular level analysis provides the role of the alkyl group effect on the phenols for extracting 5‐HMF from the ILs.
Discovery of 5‐(1‐benzyl‐1H‐imidazol‐4‐yl)‐1,2,4‐oxadiazole derivatives as novel RIPK1 inhibitors via structure‐based virtual screening
Authors: Yu Yanzhen , Hu Yunzhen , Yan Huihui , Zeng Xin , Yang Haodong , Xu Lei , Sheng Rong
Published: July 2024

RIPK1 plays a key role in necroptosis and is associated with various inflammatory diseases. Using structure‐based virtual screening, a novel hit with 5‐(1‐benzyl‐1H‐imidazol‐4‐yl)‐1,2,4‐oxadiazole scaffold was identified as an RIPK1 inhibitor with an IC50 value of 1.3 μM. Further structure–activity relationship study was performed based on similarity research and biological evaluation. The molecular dynamics simulation of compound 2 with RIPK1 indicated that it may act as a type II kinase inhibitor. This study provides a highly efficient way to discover novel scaffold RIPK1 inhibitors for further development.