bluuebunny/crossref_metadata_2025 huggingface dataset:
Electrochemical Ruthenium‐Catalyzed C8‐Regioselective Aroylation of Quinoline N‐Oxides with Aryl α‐Ketoacids
Authors: Sha Yuli , Zhang Yu , Tian Qinye , Tong Huixin , Zhang Weiya , Zhu Xianghui , Sun Zhizhong , Chu Wenyi
Published: May 2024

An electrochemical method with high faradaic efficiency was developed for the ruthenium‐catalyzed C8‐regioselective aroylation of quinoline N‐oxides under oxidant‐free conditions by using aryl α‐ketoacids as the aroylation reagent. A series of 8‐aroylquinoline N‐oxides were effectively synthesized in moderate‐to‐excellent yields. Furthermore, the proposed method was successfully applied to the gram‐scale synthesis of a tubulin polymerization inhibitor. Additionally, a plausible reaction mechanism for the decarboxylation radical acylation was proposed on the basis of the results of cyclic voltammetry and control experiments. Overall, this method provides a novel solution for the C8‐regioselective aroylation of quinoline N‐oxides.
Selective Access to Sultams and Spirocyclic Sultams by the Divergent Annulations of (N‐Aryl)‐Alkynyl Sulphonamides
Authors: Raji Reddy Chada , Rathaur Anjali , Karuna Sagar Banoth , Theja Agnuru , Patil Amol D. , Subbarao Muppidi
Published: May 2024

Herein, we present the first annulation reaction of (N‐aryl)‐alkynyl sulphonamides leading to sultams or spirocyclic sultams. The selective formation of aforesaid products is based on the variable reactivity, intramolecular ortho‐cyclization or dearomative ipso‐annulation, guided by the substituent on N‐aryl group of the substrate. The ortho‐annulation is mediated by electrophile, while the ipso‐annulation is promoted by the radical, enabling the functionalization (selenyl or iodo) on sultams. The synthetic potential of this method is illustrated by modifications of the functional groups present in the products obtained.
Targeting Mitophagy as a Potential Therapeutic Approach for Age‐Related Bone Diseases
Authors: Zhang Kehan , Li Qilin , Zhang Yuxiao , Nuerlan Gaoshaer , Li Yuanyuan , Mao Jing , Gong Shiqiang
Published: May 2024

Accumulating evidence has suggested a strong correlation between age‐related bone diseases and abnormal metabolism of bone microenvironment‐related cells, including mesenchymal stem cells (MSCs), osteoblasts, osteoclasts, osteocytes, and chondrocytes. Mitochondrial dysfunction significantly impacts cell metabolism and initiates the development and progress of numerous age‐related bone diseases. Mitochondrial autophagy or mitophagy, a process that selectively removes damaged or dysfunctional mitochondria, is closely associated with maintaining mitochondrial quality control and homeostasis. Recent studies indicate a decisive regulatory role of mitophagy in age‐related bone diseases, thereby pointing toward the potential for manipulating mitophagy levels as a new treatment paradigm. Based on the importance and novelty of mitophagy, the present review offers an overview of the pathways involved in mitophagy and meticulously examines its function in age‐related bone diseases. Various treatment methods targeting mitophagy are also discussed, mainly including biomaterials with mitophagy‐modulatory capabilities, “old drugs in a new bottle” (e.g., Metformin, Rapamycin), natural compounds, endogenous factors, and stem cell‐based therapies. In conclusion, these innovative approaches uncover mitophagy‐related signals, pathways, and mechanisms, and may shed light on mitophagy‐targeting treatments for age‐related bone diseases in the future.
AAV‐mediated Gene Cocktails Enhance Supporting Cell Reprogramming and Hair Cell Regeneration
Authors: Zhang Liyan , Chen Xin , Wang Xinlin , Zhou Yinyi , Fang Yuan , Gu Xingliang , Zhang Ziyu , Sun Qiuhan , Li Nianci , Xu Lei , Tan Fangzhi , Chai Renjie , Qi Jieyu
Published: May 2024

Mammalian cochlear hair cells (HCs) are essential for hearing, and damage to HCs results in severe hearing impairment. Damaged HCs can be regenerated by neighboring supporting cells (SCs), thus the functional regeneration of HCs is the main goal for the restoration of auditory function in vivo. Here, cochlear SC trans‐differentiation into outer and inner HC by the induced expression of the key transcription factors Atoh1 and its co‐regulators Gfi1, Pou4f3, and Six1 (GPAS), which are necessary for SCs that are destined for HC development and maturation via the AAV‐ie targeting the inner ear stem cells are successfully achieved. Single‐cell nuclear sequencing and lineaging tracing results showed that the majority of new Atoh1‐derived HCs are in a state of initiating differentiation, while GP (Gfi1, Pou4f3) and GPS (Gfi1, Pou4f3, and Six1) enhanced the Atoh1‐induced new HCs into inner and outer HCs. Moreover, the patch‐clamp analysis indicated that newborn inner HCs induced by GPAS forced expression have similar electrophysiological characteristics to those of native inner HCs. Also, GPAS can induce HC regeneration in the HC‐damaged mice model. In summary, the study demonstrates that AAV‐mediated co‐regulation of multiple genes, such as GPAS, is an effective means to achieve functional HC regeneration in the mouse cochlea.
Toward Practical Single‐Molecule/Atom Switches
Authors: Xu Xiaona , Gao Chunyan , Emusani Ramya , Jia Chuancheng , Xiang Dong
Published: May 2024

Electronic switches have been considered to be one of the most important components of contemporary electronic circuits for processing and storing digital information. Fabricating functional devices with building blocks of atomic/molecular switches can greatly promote the minimization of the devices and meet the requirement of high integration. This review highlights key developments in the fabrication and application of molecular switching devices. This overview offers valuable insights into the switching mechanisms under various stimuli, emphasizing structural and energy state changes in the core molecules. Beyond the molecular switches, typical individual metal atomic switches are further introduced. A critical discussion of the main challenges for realizing and developing practical molecular/atomic switches is provided. These analyses and summaries will contribute to a comprehensive understanding of the switch mechanisms, providing guidance for the rational design of functional nanoswitch devices toward practical applications.
Crystal Face‐Dependent Behavior of Single‐Atom Pt: Construct of SA‐FLP Dual Active Sites for Efficient NO2 Detection
Authors: Ou Yucheng , Wang Bing , Xu Nana , Song Quzhi , Liu Tao , Xu Hui , Wang Fuwen , Wang Yingde
Published: May 2024

The strong potential of platinum single atom (PtSA) in gas sensor technology is primarily attributed to its high atomic economy. Nevertheless, it is imperative to conduct further exploration to understand the impact of PtSA on the active sites. In this study, the evolution of PtSA on (100)CeO2 and (111)CeO2 is examined, revealing notable disparities in the position and activity of surface PtSA on different crystal planes. The PtSA in (100)CeO2 surface can enhance the stability of Ce3+ and construct a frustrated Lewis pair (FLP) to form a double active site by combining the steric hindrance effect of oxygen vacancies, which increases the response value from 1.8 to 27 and reduce the response‐recovery time from 140–192 s to 25–26 s toward five ppm NO2 at room temperature. Conversely, PtSA tends to bind to terminal oxygen on the surface of (111)CeO2 and become an independent reaction site. The response value of PtSA‐(111)CeO2 surface only increased from 1.6 to 3.8. This research underscores the correlation between single atoms and crystal plane effects, laying the groundwork for designing and synthesizing ultra‐stable and efficient gas sensors.
Information Dimension Matching in Memristive Computing System for Analog Deployment of Deep Neural Networks
Authors: Feng Zhe , Wu Zuheng , Wang Xu , Fang Xiuquan , Zhang Xumeng , Zou Jianxun , Lu Jian , Guo Wenbin , Li Xing , Shi Tuo , Xu Zuyu , Zhu Yunlai , Yang Fei , Dai Yuehua , Liu Qi
Published: May 2024

Memristor, with the ability of analog computing, is widely investigated for improving the computing efficiency of deep neural networks (DNNs) deployment. However, how to fully take advantage of the analog computing ability of memristive computing system (MCS) for DNN deployment is still an open question. Here, a new neural network models deployment scheme, that is, an information dimension matching (IDM) scheme, is proposed to fully take advantage of the analog computing ability of MCS. Furthermore, the spatial and temporal DNN, that is convolutional neural network (CNN) and recurrent neural network (RNN) is used to verify the proposed deployment scheme, respectively. The experimental results indicate that, compared to the traditional deployment schemes, the proposed deployment scheme shows obvious inference accuracy and energy efficiency improvement (>4 × in four‐layer DNNs deployment), and the energy efficiency improvement increases dramatically with the layers increment of DNNs. This work paves the path for developing high computing efficiency analog MCS.
Self‐Converted Scaffold Enables Dendrite‐Free and Long‐Life Zn‐Ion Batteries
Authors: Kim Jihun , Seo Joon Kyo , Song Jinju , Choi Sunghun , Park Junsu , Park Hyeonghun , Song Jeonghwan , Noh Jae‐Hyun , Oh Gwangeon , Seo Min Ho , Lee Hyeonseo , Lee Jong Min , Jang Il‐Chan , Kim Jaekook , Kim Hyeong‐Jin , Ma Jiyoung , Cho Jaephil , Woo Jung‐Je
Published: May 2024

Zn‐ion batteries are fascinating owing to their inherent safety and high theoretical capacity. However, dendrite‐free growth is challenging, limiting highly stable plating for long‐life batteries. Herein, a new, conceptual ultra‐stable self‐converted scaffold (SCS) Zn anode is reported that enables dendrite‐free plating by guiding the deposition of Zn to specific areas. The SCS is naturally transformed from a zincophilic yet resistive nucleation seed. As a sufficient amount of Zn is plated onto these nucleation seeds, they undergo self‐conversion into a resistive scaffold, thereby losing their Zn affinity, and effectively directing the Zn plating toward the less resistive basal plane by repelling the electrons. The unique electrode demonstrates exceptional stability, effectively controlling dendrite‐free growth for thicknesses of up to 120 µm even in open‐plating environments with an impressive areal capacity of 60 mAh cm−2. Moreover, in full cell configuration, the SCS shows a superior long cycle‐life of 3000 cycles. The newly discovered dendrite‐free plating mechanism is also demonstrated.
Graphitic Carbon Nitride as a Photocatalyst for Decarboxylative C(sp2)−C(sp3) Couplings via Nickel Catalysis
Authors: Lukas Florian , Findlay Michael T. , Fillols Méritxell , Templ Johanna , Savino Elia , Martin Benjamin , Allmendinger Simon , Furegati Markus , Noël Timothy
Published: May 2024

The development of robust and reliable methods for the construction of C(sp2)−C(sp3) bonds is vital for accessing an increased array of structurally diverse scaffolds in drug discovery and development campaigns. While significant advances towards this goal have been achieved using metallaphotoredox chemistry, many of these methods utilise photocatalysts based on precious‐metals due to their efficient redox processes and tuneable properties. However, due to the cost, scarcity, and toxicity of these metals, the search for suitable replacements should be a priority. Here, we show the use of commercially available heterogeneous semiconductor graphitic carbon nitride (gCN) as a photocatalyst, combined with nickel catalysis, for the cross‐coupling between aryl halide and carboxylic acid coupling partners. gCN has been shown to engage in single‐electron‐transfer (SET) and energy‐transfer (EnT) processes for the formation of C−X bonds, and in this manuscript we overcome previous limitations to furnish C−C over C−O bonds using carboxylic acids. A broad scope of both aryl halides and carboxylic acids is presented, and recycling of the photocatalyst demonstrated. The mechanism of the reaction is also investigated.
Host‐Guest Approach to Promoting Photocatalysis Based on Consecutive Photo‐Induced Electron‐Transfer Processes via Efficient Förster Resonance Energy Transfer
Authors: Li Hechuan , Yang Jianhua , Li Danyang , Li Xuezhao , Li Jianxu , He Cheng
Published: May 2024

Supramolecular artificial light‐harvesting system with highly efficient host–guest energy transfer pathway provides an ideal platform for optimizing the photochemistry process. The consecutive photo‐induced electron transfer (conPET) process overcomes the energy limitation of visible‐light photocatalysis, but is often compromised by mismatching between the absorption of ground state dye and its radical, weakening the efficiency of photoredox reaction. By encapsulating a conPET photocatalyst rhodamine 6G into metal‐organic cage, the supramolecular approach was undertaken to tackle the intrinsic difficulty of matching the light absorption of photoexcitation between rhodamine 6G and its radical. The highly efficient Förster resonance energy transfer from the photoexcited cage to rhodamine 6G forced by host–guest encapsulation facilitates the conPET process for the single‐wavelength light‐driven activation of aryl halides by stabilizing and accelerating the production and accumulation of the rhodamine 6G radical intermediate. The tunable and flexible nature of the supramolecular host–guest complex renders the cage‐based encapsulation strategy promising for the development of ideal photocatalysts toward the better utilization of solar energy.
Resistance characteristics and particle movement behavior of a petroleum coke particle packed bed in a vertical shaft calciner under different burden distribution methods
Authors: Huang Jindi , Lu Hui , Li Jing , Yang Youming
Published: May 2024

Because of the increasingly deteriorating quality of petroleum coke raw materials, abnormal furnace conditions, such as “firing and blasting”, frequently arise during the calcination of petroleum coke with a high powder/coke ratio in a vertical shaft calciner. This poses an urgent technical challenge that needs to be addressed. In iron and steel metallurgy, the burden distribution system is an important way to regulate blast furnace conditions and improve the permeability of a particle packed bed. In this work, advanced burden distribution concepts were introduced into the calcination process of petroleum coke in a vertical shaft calciner. Experimental devices were established to determine the resistance characteristics of a petroleum coke particle packed bed, along with a cold physical model of a 1/8 scale vertical shaft calciner. The influence of particle size and burden distribution methods on the resistance characteristics and particle motion behavior of the petroleum coke particle packed bed was systematically studied. The research findings indicate that both particle size and burden distribution methods significantly impact the resistance characteristics of petroleum coke particle packed beds. The smaller the particle size, the poorer the permeability of the bed. The layered burden distribution, symmetrical burden distribution, and dual‐particle mixed conventional burden distribution all contribute to improving the permeability of the petroleum coke particle packed bed in the vertical shaft calciner. Furthermore, employing symmetrical burden distribution in Bed‐3, which is packed with petroleum coke particles of diameters −3.2 + 2.5 mm and −1.0 + 0.8 mm, results in the smallest unit pressure drop, at only 1.7% of that of the conventional burden distribution of unscreened raw materials. This is the most effective means of improving the permeability of the bed. During the discharging process, particle size and symmetrical burden distribution have no significant impact on the motion characteristics of petroleum coke particles in the vertical shaft calciner. In general, in the calciner area, particles primarily move in a plug flow pattern and gradually transform into funnel flow in the cooling water jacket area. These research results provide the theoretical basis for addressing the technical challenges associated with powder coke calcination in vertical shaft calciners through reasonable burden distribution methods for fine and coarse particles.
Heat integration analysis based on recycle split vapor ethane recovery process
Authors: Jiang Hong , Liu Qingsong , Zhou Ling , Zhang Penggang , Gao Peng , Xiao Chen , Yang Donglei
Published: May 2024

Recovering ethane from natural gas involves significant energy consumption. Globally, the recycle split vapor process (RSV) is widely adopted as an efficient method for ethane recovery. Nonetheless, one major challenge faced by the RSV process is the lack of adequate heat integration, despite its overall effectiveness. In this article, we investigate the heat integration of the RSV process and propose two novel ethane recovery processes: the recycle split vapor process with direct heat integration of the feed gas (RSV‐DTI) and the recycle split vapor process with split heat integration of the feed gas (RSV‐SHI). A comparative analysis is conducted among these three processes, focusing on integrated energy consumption, exergy efficiency, and economic investment. The study's findings reveal the following: (1) The RSV‐DTI process distinguishes itself with its reduced energy consumption, enhanced stability, and minimized refrigerant usage. In comparison to the RSV process, the RSV‐DTI process achieves a reduction of over 15% in total compression duty and a remarkable decrease of 68% in propane usage. (2) Electricity emerges as the predominant energy consumed in the ethane recovery process, and the RSV‐DTI process significantly improves upon this aspect. Notably, the RSV‐DTI process incurs the lowest investment cost, yielding a swift payback period of approximately 1 year for the plant. The characteristics of the RSV‐DTI process are investigated, and the effect of changes in feed gas conditions on the heat integration of the RSV‐DTI process is analyzed. The characteristics of the RSV‐DTI process show the following: (1) Different pressures of feed gas existing in the main cold box have different minimum heat integration temperatures (MHIT). When the feed gas temperature is lower than the MHIT, heat integration becomes difficult, and the heat energy can be supplied by hot liquid propane at 48°C. When the feed gas temperature is higher than the MHIT, changes in feed gas temperature have little effect on the process, only affecting the external gas temperature. (2) The heat transfer duty of the demethanizer sideline outlet stream is affected by the feed gas pressure. To enhance heat integration, it is recommended to set the heat transfer duty of the low‐temperature sideline outlet stream (DLTSS) between 40% and 90% of the reboiler duty and the heat transfer duty of the high‐temperature sideline outlet stream (DHTSS) between 40% and 75% of the reboiler duty.
Fabrication, encapsulation and controlled release of multilayer capsule based on thermosensitivity and host‐guest interaction
Authors: Wang Yuhang , Liu Mingyang , Hu Zhengsheng , Lv Hanlin , Chen Yanjun , Wang Yifeng
Published: May 2024

As an efficient means of material carrying, multilayer capsules are widely used in medicine, agriculture, food safety and other fields. Here, we report a kind of temperature‐triggered multilayer capsule with chitosan‐sodium dodecyl benzene sulfonate (CS‐SDBS) as the shell and gelatin bead containing α‐cyclodextrin (α‐CD@gelatin) as the core. The α‐CD@gelatin/CS‐SDBS multilayer capsules can simultaneously encapsulate various substances, such as drugs, fluorescent materials, and nanoparticles. The encapsulated substances do not interfere with each other because they are located in different layers. Both the temperature‐sensitive property of gelatin and the host‐guest interaction between α‐CD and SDBS are utilized to achieve temperature‐controlled release of substances in the multilayer capsules. The release rate can be adjusted by the α‐CD amount in the gelatin beads. The controlled drug release and chemical detection of the multilayer capsules are studied with sodium salicylate, iodine, and purple cabbage pigment as the carriers. The results show that the α‐CD@gelatin/CS‐SDBS multilayer capsules have excellent capabilities of encapsulation and controlled release, which are beneficial for their application in the fields of substance encapsulation, drug‐controlled release, and chemical detection.
Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B–NS3 protease
Authors: Huber Simon , Braun Niklas J. , Schmacke Luna C. , Murra Robin , Bender Daniela , Hildt Eberhard , Heine Andreas , Steinmetzer Torsten
Published: May 2024

Three new series of macrocyclic active site‐directed inhibitors of the Zika virus (ZIKV) NS2B–NS3 protease were synthesized. First, attempts were made to replace the basic P3 lysine residue of our previously described inhibitors with uncharged and more hydrophobic residues. This provided numerous compounds with inhibition constants between 30 and 50 nM. A stronger reduction of the inhibitory potency was observed when the P2 lysine was replaced by neutral residues, all of these inhibitors possess Ki values >1 µM. However, it is possible to replace the P2 lysine with the less basic 3‐aminomethylphenylalanine, which provides a similarly potent inhibitor of the ZIKV protease (Ki = 2.69 nM). Crystal structure investigations showed that the P2 benzylamine structure forms comparable interactions with the protease as lysine. Twelve additional structures of these inhibitors in complex with the protease were determined, which explain many, but not all, SAR data obtained in this study. All individual modifications in the P2 or P3 position resulted in inhibitors with low antiviral efficacy in cell culture. Therefore, a third inhibitor series with combined modifications was synthesized; all of them contain a more hydrophobic d‐cyclohexylalanine in the linker segment. At a concentration of 40 µM, two of these compounds possess similar antiviral potency as ribavirin at 100 µM. Due to their reliable crystallization in complex with the ZIKV protease, these cyclic compounds are very well suited for a rational structure‐based development of improved inhibitors.
Pulsed electromagnetic fields used in regenerative medicine: An in vitro study of the skin wound healing proliferative phase
Authors: Bedja‐Iacona Léa , Scorretti Riccardo , Ducrot Marie , Vollaire Christian , Franqueville Laure
Published: May 2024

Numerous studies have demonstrated the efficacy of extremely low frequency‐pulsed electromagnetic fields (ELF‐PEMF) in accelerating the wound healing process in vitro and in vivo. Our study focuses specifically on ELF‐PEMF applied with the Magnomega® device and aims to assess their effect during the main stages of the proliferative phase of dermal wound closure, in vitro. Thus, after the characterization of the EMFs delivered by the Magnomega® unit, primary culture of human dermal fibroblasts (HDFs) were exposed, or not for the control culture, to 10–12 and 100 Hz ELF‐PEMF. These parameters are used in clinical practice by physiotherapists in order to enhance healing of dermal lesions in patients. HDFs proliferation was first assessed and revealed an increase in the expression of one of the two genetic markers of cell proliferation tested (PCNA and MKI67), after initial exposure of the cells to 10–12 Hz PEMF. Next, migration of HDFs was investigated by performing scratch assays on HDF layers. The observed wound closure kinetics corroborate the early organization of actin stress fibers that was revealed in the cytoplasm of HDFs exposed to 100 Hz ELF‐PEMF. Also, maturation of HDFs into myofibroblasts was significantly increased in cells exposed to 10–12 or to 100 Hz PEMF. The present study is the first to demonstrate, in vitro, an early stimulation of HDFs, after their exposure to ELF‐PEMF delivered by the Magnomega® device, which could contribute to an acceleration of the wound healing process.
Das DBV‐Merkblatt Frischbetonverbundsysteme für eine geregelte Bauart
Authors: Filusch Sebastian , Fingerloos Frank , Meyer Lars , Urban Susanne
Published: May 2024

Frischbetonverbundsysteme (FBVS) stellen eine innovative Bauart im Bereich der Bauwerksabdichtung dar, die eine weite Marktverbreitung in Deutschland gefunden hat. Die abdichtende Wirkung dieser Bauart beruht auf dem flächigen hinterlaufsicheren Verbund von wasserdichten Frischbetonverbundbahnen (FBV‐Bahnen) mit dem Frischbeton. Das DBV‐Merkblatt „Frischbetonverbundsysteme“ in der Fassung September 2023 stellt einen wesentlichen Schritt zu einer geregelten Bauart dar. Es soll sich im Laufe der nächsten Jahre als weitestgehend geschlossenes Regelwerk für diese Bauart, deren Planung und Ausführung sowie mit Vorgaben für eine Qualitätssicherung zu einer anerkannten Regel der Technik (aRdT) entwickeln. Es hebt die Bauart FBVS als additive oder kompensierende Abdichtungsmaßnahme in Kombination mit WU‐Betonkonstruktionen nach der DAfStb‐WU‐Richtlinie auf eine neue Qualitätsstufe. Die Verwendungssicherheit eines FBVS wird somit für die am Bau Beteiligten gegenüber der bisherigen ungeregelten Situation grundlegend verbessert. Das DBV‐Merkblatt kann und soll Grundlage von WU‐Betonbaukonzepten, von Ausschreibungen und Leistungsverzeichnissen sowie von vertraglichen Vereinbarungen sein.
Environmental management accounting for strategic decision‐making: A systematic literature review
Authors: Swalih M. M. , Ram Ronita , Tew Edward
Published: May 2024

Heightened environmental concerns have prompted businesses to align with regulatory demands, fostering a need for internal accounting tools aiding managerial decision‐making. While environmental management accounting (EMA) has become pivotal in supporting eco‐efficiency decisions within organizations, a gap persists in comprehending its genuine, proactive implementation for sustainable development in the existing literature. This study investigates why and how EMA is used for strategic decision‐making. A systematic literature review of 89 studies was conducted, and factors influencing EMA usage for strategic decision‐making were identified using the drivers–enablers–outcomes–barriers framework. Three reasons for EMA use in strategic decision‐making were identified: legitimacy, organizational efficiency, and strategic sustainable development. This study highlights the evolving use of EMA within organizations, moving from short‐term applications to recognizing its long‐term potential for strategic sustainable development. It explains the changing motives behind EMA adoption, driven by factors that encourage the use of advanced EMA tools for proactive, long‐term decision‐making in sustainable development. The integration of these tools depends on internal organizational factors like management's environmental responsibility, and proactive leadership commitment to sustainability. By exploring theoretical underpinnings and motivations of enhanced EMA usage, this research contributes to pragmatic approaches in sustainability accounting, illustrating how organizations, initially adopting EMA for legitimacy, recognize its benefits in guiding proactive, solution‐oriented managerial decisions toward strategic sustainable development.
S‐LASSIE: Structure and smoothness enhanced learning from sparse image ensemble for 3D articulated shape reconstruction
Authors: Feng Jingze , He Chong , Wang Guorui , Wang Meili
Published: May 2024

In computer vision, the task of 3D reconstruction from monocular sparse images poses significant challenges, particularly in the field of animal modelling. The diverse morphology of animals, their varied postures, and the variable conditions of image acquisition significantly complicate the task of accurately reconstructing their 3D shape and pose from a monocular image. To address these complexities, we propose S‐LASSIE, a novel technique for 3D reconstruction of quadrupeds from monocular sparse images. It requires only 10–30 images of similar breeds for training. To effectively mitigate depth ambiguities inherent in monocular reconstructions, S‐LASSIE employs a multi‐angle projection loss function. In addition, our approach, which involves fusion and smoothing of bone structures, resolves issues related to disjointed topological structures and uneven connections at junctions, resulting in 3D models with comprehensive topologies and improved visual fidelity. Our extensive experiments on the Pascal‐Part and LASSIE datasets demonstrate significant improvements in keypoint transfer, overall 2D IOU and visual quality, with an average keypoint transfer and overall 2D IOU of 59.6% and 86.3%, respectively, which are superior to existing techniques in the field.
Multifaceted manifestations: A case report of MRSA pneumonia with sepsis, pyelonephritis, and ileus muscle abscess
Authors: Damlakhy Ahmad , Khan Zohaib A. , Abdel‐Qader Anas , Chernyshev Dmitrii , Ross Emily
Published: May 2024

Key Clinical Message

Methicillin‐resistant staph aureus (MRSA) infections are challenging to treat, and with the emergence of community‐associated MRSA (CA‐MRSA) strains, early consideration of this pathogen in populations without typical risk factors is critical. Here we present a case of CA‐MRSA pneumonia that resulted in Community‐acquired pneumonia (CAP) with septic shock, pyelonephritis, and muscle abscess.
A case report of leukemoid reaction in a child with severe diabetic ketoacidosis (DKA) and cerebral edema: When rarity and complexity meet
Authors: Alfraij Abdulla , Al‐Enazi Naser
Published: May 2024

Key Clinical Message

In pediatrics, a leukemoid reaction in severe DKA cases with cerebral edema has never been reported. The fluid management was challenging as it required balancing rates to ensure improvement of the condition while preventing neurological sequelae.

The combination of diabetic ketoacidosis (DKA), cerebral edema, and leukemoid reaction in pediatrics has never been reported before in the literature. It may lead to significant morbidity and high mortality. Here, we report a case of DKA‐induced cerebral edema associated with severe leukocytosis (WBC 98 × 109/L), which had many challenges in fluid therapy.
HFIP‐Triggered Reduction Radical Coupling of Enamides with Alkynes Towards β‐Keto Alkylamides via H‐Bonding Electron Transfer
Authors: Cheng Xingda , Zhao LuLu , Yan Kelu , Yang Jianjing , Xu Lirong , Wen Jiangwei
Published: May 2024

This study presents metal‐free protocols for the reduction radical coupling of enamides with diverse alkynes, triggered by 1,1,1,3,3,3‐Hexafluoro‐2‐propanol (HFIP), enabling access to β‐keto alkylamides. The established approach demonstrates remarkable efficiency, facile gram‐scale synthesis, and outstanding functional group tolerance. Mechanistic investigations have revealed that the radical reaction is initiated through H‐bonding electron transfer (Hb‐ET) between enamides and HFIP promoted by acids. Notably, the introduction of Hb‐ET protocols for generating radicals represents a highly promising approach in the field of radical chemistry.
Safety of carfentrazone‐ethyl following application of bensulide to creeping bentgrass putting greens
Authors: Raudenbush Zane , Sousek Matt , Thompson Cole S. , Gaussoin Roch
Published: May 2024

Golf course superintendents may use bensulide to control annual grassy weeds and carfentrazone‐ethyl (CE) to control silvery‐thread moss (Bryum argenteum Hedw.) in creeping bentgrass putting greens. Creeping bentgrass injury has been reported if CE is applied soon after treatment with bensulide and the safe application interval varies as much as 68 days. Our goal was to improve the precision of recommendations for safe application of CE following bensulide, considering both CE rate and timing. We used a factorial treatment structure that included (1) bensulide or no bensulide, (2) three rates of CE, and (3) nine CE application timings in 2018 and 2019 at locations in Nebraska and Ohio. Because of limited effects in 2018, different CE rates and application timings were used in 2019. Significant creeping bentgrass injury was only observed at 6.7 or 13.4 fl oz acre−1 rates of CE that were applied within 3 days of applying bensulide. Even the 13.4 fl oz acre−1 rate (a 2× rate) of CE did not injure creeping bentgrass when applied at least 7 days after applying bensulide. The 2.0 fl oz acre−1 rate of CE never injured creeping bentgrass, even when applied the same day as bensulide. Cultivar, management, and environmental differences may influence whether subsequent application of bensulide and CE injures creeping bentgrass. Based on the environmental/cultural conditions and cultivars used in this research, golf course superintendents should expect little to no injury when CE is applied at least 1 week after applying bensulide.
Molecular Packing Topology and Interactions to Decipher Mechanical Compliances in Dicyano‐Distyrylbenzene Derivatives
Authors: Ghora Madhubrata , Manna Ranjit Kumar , Park Sang Kyu , Oh Sangyoon , Kim Sung‐Il , Park Soo Young , Gierschner Johannes , Varghese Shinto
Published: May 2024

Flexible optoelectronics is the need of the hour as the market moves toward wearable and conformable devices. Crystalline π‐conjugated materials offer high performance as active materials compared to their amorphous counterpart, but they are typically brittle. This poses a significant challenge that needs to be overcome to unfold their potential in optoelectronic devices. Unveiling the molecular packing topology and identifying interaction descriptors that can accommodate strain offers essential guiding principles for developing conjugated materials as active components in flexible optoelectronics. The molecular packing and interaction topology of eight crystal systems of dicyano‐distyrylbenzene derivatives are investigated. Face‐to‐face π‐stacks in an inclined orientation relative to the bending surface can accommodate expansion and compression with minimal molecular motion from their equilibrium positions. This configuration exhibits good compliance towards mechanical strain, while a similar structure with a criss‐cross arrangement capable of distributing applied strain equally in opposite directions enhances the flexibility. Molecular arrangements that cannot reversibly undergo expansion and compression exhibit brittleness. In the isometric CT crystals, the disproportionate strength of the interactions along the bending plane and orthogonal directions makes these materials sustain a moderate bending strain. These results provide an updated explanation for the elastic bending in semiconducting π‐conjugated crystals.
Visible‐Light‐Mediated [2+2] Photocycloadditions of Alkynes
Authors: Zhang Qing‐Bao , Li Feng , Pan Bin , Yu Lei , Yue Xiang‐Guo
Published: May 2024

Visible‐light‐mediated [2+2] photocycloaddition reaction can be considered an ideal solution due to its green and sustainable properties, and is one of the most efficient methods to synthesize four‐membered ring motifs. Although research on the [2+2] photocycloaddition of alkynes is challenging because of the diminished reactivity of alkynes, and the more significant ring strain of the products, remarkable achievements have been made in this field. In this article, we highlight the recent advances in visible‐light‐mediated [2+2] photocycloaddition reactions of alkynes, with focus on the reaction mechanism and the late‐stage synthetic applications. Advances in obtaining cyclobutenes, azetines, and oxetene active intermediates continue to be breakthroughs in this fascinating field of research.
Lower intensity therapy with cladribine/low dose cytarabine/venetoclax in older patients with acute myeloid leukemia compares favorably with intensive chemotherapy among patients undergoing allogeneic stem cell transplantation
Authors: Senapati Jayastu , Kantarjian Hagop M. , Bazinet Alexandre , Reville Patrick , Short Nicholas J. , Daver Naval , Borthakur Gautam , Bataller Alex , Jabbour Elias , DiNardo Courtney , Haddad Fadi , Sasaki Koji , Popat Uday , Oran Betul , Alousi Amin M. , Loghavi Sanam , Shpall Elizabeth , Garcia‐Manero Guillermo , Ravandi Farhad , Kadia Tapan M.
Published: May 2024

Background

Allogeneic stem cell transplantation (SCT) remains the best consolidative modality in most patients with acute myeloid leukemia (AML). Along with factors directly pertaining to SCT, pretransplantation disease control, performance status, and prior treatment‐related complications are important factors that affect posttransplantation survival outcomes.

Methods

The authors compared the survival outcomes of patients ≥60 years of age treated on the phase 2 clinical trial of venetoclax (Ven) added to cladribine (CLAD) and low dose cytarabine (LDAC) alternating with azacitidine (CLAD/LDAC/Ven arm) (NCT03586609) who underwent allogeneic SCT in first remission to a retrospective cohort of patients ≥60 years of age who underwent SCT after intensive chemotherapy. Intensive chemotherapy was defined as the use of cytarabine >1 g/m2 and anthracyclines during induction/consolidation.

Results

Thirty‐five patients at median age of 68 years in the CLAD/LDAC/Ven arm were compared to 42 patients at a median age of 62 years in the intensive therapy arm. The 2‐year relapse‐free survival was superior with CLAD/LDAC/Ven versus intensive chemotherapy (88% vs. 65%; p = .03) whereas the 2‐year overall survival (OS) was comparable (84% vs. 70%; p = .14). On a competing event analysis, the 2‐year cumulative incidence of relapse (CIR) was significantly lower with CLAD/LDAC/Ven versus intensive chemotherapy (2.9% vs. 17.2%, Gray’s p = .049) whereas nonrelapse mortality was comparable (16.2% vs. 17.1%; p = .486).

Conclusion

In conclusion, treatment with CLAD/LDAC/Ven was associated with favorable outcomes in older patients who underwent subsequent allogeneic SCT. The OS was comparable to that with intensive chemotherapy followed by allogeneic SCT, but the CIR rate was significantly lower.
Enhanced Bioavailability and Reduced Variability of Dasatinib and Sorafenib with a Novel Amorphous Solid Dispersion Technology Platform
Authors: Lennernäs Hans , Brisander Magnus , Liljebris Charlotta , Jesson Gérald , Andersson Per
Published: May 2024

Despite clinical advances with protein kinase inhibitors (PKIs), oral administration of many PKIs is associated with highly variable plasma exposure and a narrow therapeutic window. We developed a novel hybrid nanoparticle‐amorphous solid dispersion (ASD) technology platform consisting of an amorphous PKI embedded in a polymer matrix. The technology was used to manufacture immediate‐release formulations of 2 tyrosine kinase inhibitors (TKIs), dasatinib and sorafenib. Our primary objective was to improve the absorption properties and reduce the pharmacokinetic (PK) variability of each TKI. The PKs of XS004 (dasatinib‐ASD, 100 mg tablet) and XS005 (sorafenib‐ASD, 2 × 50 mg capsules) were compared with their crystalline formulated reference drugs (140 mg of dasatinib‐reference and 200 mg of sorafenib‐reference). The in vitro biopharmaceutics of dasatinib‐ASD and XS005‐granulate showed sustained increased solubility in the pH range 1.2‐8.0 compared to their crystalline references. In vivo, XS004 was bioequivalent at a 30% lower dose and showed increased absorption and bioavailability, with 2.1‐4.8 times lower intra‐ and intersubject variability compared to the reference. XS005 had an increased absorption and bioavailability of 45% and 2.2‐2.8 times lower variability, respectively, but it was not bioequivalent at the investigated dose level. Taken together, the formulation platform is suited to generate improved PKI formulations with consistent bioavailability and a reduced pH‐dependent absorption process.
On the Unusual Global Aromaticity of Two Cyclopenta‐Ring‐Fused Oligo(m‐Phenylenes)
Authors: Summa Francesco F. , Zanasi Riccardo , Đorđević Slađana , Radenković Slavko , Monaco Guglielmo
Published: May 2024

Some years ago, Jishan Wu reported the synthesis of 8MC and 10MC, two homologues of the cyclopenta‐ring‐fused oligo(m‐phenylene) macrocycles mMC, each behaving as an annulene‐within‐an‐annulene (AWA). This was a surprising result as the AWA behavior is rare. Both molecules have a partial polyradical character, enforced by the quest for restoring some aromatic character of benzene rings. However, that restoration brings back some coupling between the two annulenes. Indeed, we found that the geometry and the magnetically induced currents indicate that, while 8MC does have an AWA character, this is not the case of the larger 10MC. Limitations of the design strategy of AWA molecules should be taken into account in future attempts to prepare novel large coronenes.
Repurposing of drugs against bacterial infections: A pharmacovigilance‐based data mining approach
Authors: Ohra Simran , Sharma Ruchika , Kumar Anoop
Published: May 2024

The World Health Organization (WHO) has published a list of priority pathogens that urgently require research to develop new antibiotics. The main aim of the current study is to identify potential marketed drugs that can be repurposed against bacterial infections. A pharmacovigilance‐based drug repurposing approach was used to identify potential drugs. OpenVigil 2.1 tool was used to query the FDA Adverse Event Reporting System database. The reporting odds ratio (ROR) < 1, ROR95CI upper bound <1, and no. of cases ≥30 were used for filtering and sorting of drugs. Sunburst plot was used to represent drugs in a hierarchical order using the Anatomical Therapeutic Chemical classification. Molecular docking and dynamics were performed using the Maestro and Desmond modules of Schrodinger 2023 software respectively. A total of 40 drugs with different classes were identified based on the pharmacovigilance approach which has antibacterial potential. The molecular docking results have shown energetically favored binding conformation of lisinopril against 3‐deoxy‐manno‐octulosonate cytidylyltransferase, UDP‐2,3‐diacylglucosamine hydrolase, and penicillin‐binding protein 3 (PBP3) of Pseudomonas aeruginosa; olmesartan, atorvastatin against lipoteichoic acids flippase LtaA and rosiglitazone and varenicline against 
d‐alanine ligase of Staphylococcus aureus; valsartan against peptidoglycan deacetylase (SpPgdA) and atorvastatin against CDP‐activated ribitol for teichoic acid precursors of Streptococcus pneumoniae. Further, molecular dynamic results have shown the stability of identified drugs in the active site of bacterial targets except lisinopril with PBP3. Lisinopril, olmesartan, atorvastatin, rosiglitazone, varenicline, and valsartan have been identified as potential drugs for repurposing against bacterial infection.
Why do individuals with Williams syndrome or Down syndrome fail the Weather Prediction Task?
Authors: Bochud‐Fragnière Emilie , Lonchampt Gianni , Bittolo Paola , Ehrensperger Giada , Circelli Antonella Rita , Antonicelli Nicole , Costanzo Floriana , Menghini Deny , Vicari Stefano , Banta Lavenex Pamela , Lavenex Pierre
Published: May 2024

Williams syndrome (WS) and Down syndrome (DS) are two neurodevelopmental disorders with distinct genetic origins characterized by mild to moderate intellectual disability. Individuals with WS or DS exhibit impaired hippocampus‐dependent place learning and enhanced striatum‐dependent spatial response learning. Here, we used the Weather Prediction Task (WPT), which can be solved using hippocampus‐ or striatum‐dependent learning strategies, to determine whether individuals with WS or DS exhibit similar profiles outside the spatial domain. Only 10% of individuals with WS or DS solved the WPT. We further assessed whether a concurrent memory task could promote reliance on procedural learning to solve the WPT in individuals with WS but found that the concurrent task did not improve performance. To understand how the probabilistic cue–outcome associations influences WPT performance, and whether individuals with WS or DS can ignore distractors, we assessed performance using a visual learning task with differing reward contingencies, and a modified WPT with unpredictive cues. Both probabilistic feedback and distractors negatively impacted the performance of individuals with WS or DS. These findings are consistent with deficits in hippocampus‐dependent learning and executive functions, and reveal the importance of congruent feedback and the minimization of distractors to optimize learning in these two populations.
Practical measurements distinguishing physiological and pathological stereoelectroencephalography channels based on high‐frequency oscillations in the human brain
Authors: Li Zilin , Zhao Baotian , Hu Wenhan , Zhang Chao , Wang Xiu , Liu Chang , Mo Jiajie , Guo Zhihao , Yang Bowen , Yao Yuan , Shao Xiaoqiu , Zhang Jianguo , Zhang Kai
Published: May 2024

Objective

The present study aimed to identify various distinguishing features for use in the accurate classification of stereoelectroencephalography (SEEG) channels based on high‐frequency oscillations (HFOs) inside and outside the epileptogenic zone (EZ).

Methods

HFOs were detected in patients with focal epilepsy who underwent SEEG. Subsequently, HFOs within the seizure‐onset and early spread zones were defined as pathological HFOs, whereas others were defined as physiological. Three features of HFOs were identified at the channel level, namely, morphological repetition, rhythmicity, and phase–amplitude coupling (PAC). A machine‐learning (ML) classifier was then built to distinguish two HFO types at the channel level by application of the above‐mentioned features, and the contributions were quantified. Further verification of the characteristics and classifier performance was performed in relation to various conscious states, imaging results, EZ location, and surgical outcomes.

Results

Thirty‐five patients were included in this study, from whom 166  104 pathological HFOs in 255 channels and 53 374 physiological HFOs in 282 channels were entered into the analysis pipeline. The results revealed that the morphological repetitions of pathological HFOs were markedly higher than those of the physiological HFOs; this was also observed for rhythmicity and PAC. The classifier exhibited high accuracy in differentiating between the two forms of HFOs, as indicated by an area under the curve (AUC) of 0.89. Both PAC and rhythmicity contributed significantly to this distinction. The subgroup analyses supported these findings.

Significance

The suggested HFO features can accurately distinguish between pathological and physiological channels substantially improving its usefulness in clinical localization.

Plain Language Summary

In this study, we computed three quantitative features associated with HFOs in each SEEG channel and then constructed a machine learning‐based classifier for the classification of pathological and physiological channels. The classifier performed well in distinguishing the two channel types under different levels of consciousness as well as in terms of imaging results, EZ location, and patient surgical outcomes.
Effect of methyl substitution on hydrogen bond structure of anthocyanin
Authors: Zhang ZhongXin , Liu QiFan , Aizezi Nuerbiye , Abulimiti Bumaliya , Xiang Mei
Published: May 2024

In nature, hydrogen bonding is a common physical occurrence that has a significant impact on the surroundings of anthocyanins. Water molecules will create hydrogen bonds with anthocyanin molecules in various configurations, but the characteristics of these hydrogen bonds will change. Varied hydrogen bonding characteristics have varied impacts on solvent solutions. This research analyzes the differences in hydrogen bonding qualities caused by different methyl structures, as well as the underlying explanations. In this study, the cyanidin and peonidin structures of anthocyanin molecules were calculated in various stable hydrogen bond configurations using the density functional theory B3LYP/6‐31G(d,p), combined with information from the infrared spectroscopy spectrum, atoms in molecules analysis, interaction energy E, and intermolecular hydrogen bond length. The hydrogen bond structure that is the most stable is determined by analyzing it, as well as the effects of replacing the hydroxyl group with a methyl group and any potential underlying causes. Future anthocyanins research can benefit from the precise theoretical reference that this study can offer.