bluuebunny/crossref_metadata_2025_split huggingface dataset:
SBA‐15 Particles as Carriers for a Series of Platinum(IV) Complexes with Oxaliplatin Scaffolds Bearing Different Anti‐Inflammatory Drugs: Promising Strategy Against Breast Cancer
Authors: Predarska Ivana , Saoud Mohamad , Cepus Valentin , Hey‐Hawkins Evamarie , Kaluđerović Goran N. 
Published: May 2023

AbstractOxaliplatin is a third‐generation platinum(II)‐based drug mainly utilized to treat colon cancer, as part of a combinatory regime. Aiming to expand the knowledge on the effects of oxaliplatin and its derivatives on different tumor types, oxaliplatin‐based platinum(IV) platforms are designed and prepared to assess their antitumor capacity against various breast cancer cell lines. In the two axial positions of the platinum(IV) system, different inflammation reducing agents, non‐steroidal anti‐inflammatory drugs (fenoprofen, flurbiprofen, both as racemates) and phenolic acids (acetyl‐protected and unprotected ferulic acid, cinnamic acid) are incorporated as anionic ligands. The prepared platinum(IV) hybrids are loaded with great encapsulation efficiency into mesoporous SBA‐15 material to serve as drug delivery vehicle, and the obtained nanostructured material can ensure very slow drug release beneficial for prolonged circulation in vivo and passive targeting. Both, free and in SBA‐15 immobilized platinum(IV) complexes with oxaliplatin core, displayed potent antitumor activity in four breast cancer cell lines (MCF‐7, BT‐474, HCC1937 and MDA‐MB‐468), showing great prospect in overcoming oxaliplatin and cisplatin resistance. Mechanistic investigations in MDA‐MB‐468 cells of oxaliplatin and its fenoprofen derivative as the most active representative of the prepared complexes showed that the decreased cell viability resides in activation of apoptotic mechanisms.
Spontaneous Threshold Lowering Neuron using Second‐Order Diffusive Memristor for Self‐Adaptive Spatial Attention
Authors: Jiang Yang , Wang Dingchen , Lin Ning , Shi Shuhui , Zhang Yi , Wang Shaocong , Chen Xi , Chen Hegan , Lin Yinan , Loong Kam Chi , Chen Jia , Li Yida , Fang Renrui , Shang Dashan , Wang Qing , Yu Hongyu , Wang Zhongrui 
Published: May 2023

AbstractIntrinsic plasticity of neurons, such as spontaneous threshold lowering (STL) to modulate neuronal excitability, is key to spatial attention of biological neural systems. In‐memory computing with emerging memristors is expected to solve the memory bottleneck of the von Neumann architecture commonly used in conventional digital computers and is deemed a promising solution to this bioinspired computing paradigm. Nonetheless, conventional memristors are incapable of implementing the STL plasticity of neurons due to their first‐order dynamics. Here, a second‐order memristor is experimentally demonstrated using yttria‐stabilized zirconia with Ag doping (YSZ:Ag) that exhibits STL functionality. The physical origin of the second‐order dynamics, i.e., the size evolution of Ag nanoclusters, is uncovered through transmission electron microscopy (TEM), which is leveraged to model the STL neuron. STL‐based spatial attention in a spiking convolutional neural network (SCNN) is demonstrated, improving the accuracy of a multiobject detection task from 70% (20%) to 90% (80%) for the object within (outside) the area receiving attention. This second‐order memristor with intrinsic STL dynamics paves the way for future machine intelligence, enabling high‐efficiency, compact footprint, and hardware‐encoded plasticity.
A Multifunctional Molecular Bridging Layer for High Efficiency, Hysteresis‐Free, and Stable Perovskite Solar Cells
Authors: Yin Li , Ding Changzeng , Liu Chenguang , Zhao Chun , Zha Wusong , Mitrovic Ivona Z. , Lim Eng Gee , Han Yunfei , Gao Xiaomei , Zhang Lianping , Wang Haibin , Li Yuanxi , Wilken Sebastian , Österbacka Ronald , Lin Hongzhen , Ma Chang‐Qi , Zhao Cezhou 
Published: May 2023

AbstractAt present, the dominating electron transport material (ETL) and hole transport material (HTL) used in the state‐of‐the‐art perovskite solar cells (PSCs) are tin oxide and 2,2′,7,7′‐tetrakis(N,N‐di‐p‐methoxyphenyl‐amine)‐9,9′‐spirobifluorene (Spiro‐OMeTAD). However, the surface hydroxyl groups of the SnO2 layer and the Li+ ions within the Spiro‐OMeTAD HTL layer generally cause surface charge recombination and Li+ migration, significantly reducing the devices' performance and stability. Here, a molecule bridging layer of 3,5‐bis(fluorosulfonyl)benzoic acid (FBA) is introduced onto the SnO2 surface, which provides appropriate surface energy, reduces interfacial traps, forms a better energy level alignment, and, most importantly, anchors (immobilizes) Li+ ions in the ETL, and consequently improves the device power conversion efficiency (PCE) up to 24.26% without hysteresis. Moreover, the device with the FBA passivation layer shows excellent moisture and operational stability, maintaining over 80% of the initial PCE after 1000 h under both aging conditions. The current work provides a comprehensive understanding of the influence of the extrinsic Li+ ion migration within the cell on the device's performance and stability, which helps design and fabricate high‐performance and hysteresis‐free PSCs.
An n‐Type Conjugated Oligoelectrolyte Mimics Transmembrane Electron Transport Proteins for Enhanced Microbial Electrosynthesis
Authors: Quek Glenn , Vázquez Ricardo Javier , McCuskey Samantha R. , Lopez‐Garcia Fernando , Bazan Guillermo C. 
Published: May 2023

AbstractInterfacing bacteria as biocatalysts with an electrode provides the basis for emerging bioelectrochemical systems that enable sustainable energy interconversion between electrical and chemical energy. Electron transfer rates at the abiotic‐biotic interface are, however, often limited by poor electrical contacts and the intrinsically insulating cell membranes. Herein, we report the first example of an n‐type redox‐active conjugated oligoelectrolyte, namely COE‐NDI, which spontaneously intercalates into cell membranes and mimics the function of endogenous transmembrane electron transport proteins. The incorporation of COE‐NDI into Shewanella oneidensis MR‐1 cells amplifies current uptake from the electrode by 4‐fold, resulting in the enhanced bio‐electroreduction of fumarate to succinate. Moreover, COE‐NDI can serve as a “protein prosthetic” to rescue current uptake in non‐electrogenic knockout mutants.
Tetrazole Linkages as Photoactivated Fuels for Light‐Regulated Photothermal/Photocatalytic Propulsion of Versatile Polymer Nanoplatforms
Authors: Jin Jingjun , Li Yun , Cao Dongsheng , Wang Shuai , Yan Xibo 
Published: May 2023

AbstractColloidal motors with multimode propulsion have attracted considerable attention because of enhanced transportability. It is a great challenge to fabricate colloidal motors powered by a single engine for multimode synergistic propulsion. Herein, we report on Janus versatile polymer nanoplatforms integrating various functionalities via tetrazole linkages for light‐regulated multimode synergistic propulsion in the liquid. The presence of tetrazole linkages in the polymers endows the nanoparticles with various photoresponsive capabilities. A sole energy source (ultraviolet or visible light) simultaneously activates photocatalytic N2 release and photothermal conversion within the tetrazole‐containing polymer phase at one side of asymmetric nanoparticles for converting light energy into photothermal/photocatalytic propulsion independent of the surrounding chemical medium. The photoactivated locomotion using tetrazoles as light‐triggered fuels highly corresponds to light wavelengths, light powers and tetrazole contents. The tetrazole linkages capable of incorporating various functionalities to the polymer nanoparticles allow on‐demand customizing of the colloidal motors, showing great potential in bio‐applications.
Au(III) complexes of symmetrical tetradentate Schiff base ligands: Synthesis, characterization, anticancer/antioxidant potency, in silico prediction, and catalase binding properties
Authors: Oveisi Keikha Alireza , Shahraki Somaye , Mansouri‐Torshizi Hassan , Dehghanian Effat , Heidari Majd Mostafa 
Published: May 2023

Two new gold(III) complexes, [AuL1]Cl3, A, and [AuL2]Cl3, B, were synthesized and characterized. DFT calculations showed square planar geometry for both complexes. Antioxidant results showed that the ability of compounds to inhibit DPPH• is as follows: A > B > L2 > L1. The anticancer assay showed that both complexes have the ability to inhibit the growth of HCT116 colon cancer cell lines, but B shows a relatively better effect than cisplatin. The interaction effects of A and B on the activity and structure of the bovine liver catalase (BLC) were investigated by spectroscopic techniques and molecular docking. Both complexes were able to change the performance and structure of BLC; B has a greater effect on BLC activity, so at concentration of 2 μM, A and B inhibit initial BLC activity by 92.2% and 55.6%, respectively. The interaction mechanism of A and B with BLC was also different; A interacted mostly with van der Waals interactions and hydrogen bonds, but the most important forces for B was hydrophobic interactions. According to docking results, both complexes prefer the domain III of BLC, but B has higher affinity toward BLC than A, which supports the results of spectroscopic and FMO analysis.
Distributed control of target cooperative encirclement and tracking using range‐based measurements
Authors: Jia Jiangbo , Chen Xin , Wang Weizhen , Zhang Min 
Published: May 2023

AbstractThis paper investigates a distributed coordinate‐free control method of ground target cooperative encirclement and tracking for an unmanned aerial vehicle (UAV) formation. Different from the existing methods, the relevant information for the circumnavigation can be measured by the UAV sensors rather than directly from the tracked target. Based on these distance measurements, a multi‐UAV encirclement guidance law that satisfies both target coordination and tracking is designed. According to the proposed lemma of interconnected system, the formation system under the guidance law is globally uniformly asymptotically stable. The effectiveness and advantages of the proposed controller are validated via simulations.
Neonatal diagnosis of circumferential skin creases
Authors: Cauzzo Chiara , Chiavaroli Valentina , Palka Bayard de Volo Chiara , Petrucci Altea , Topazio Teresa , Di Donato Giulia , Fiorentino Riccardo , Chiarelli Francesco , Di Valerio Susanna 
Published: May 2023

AbstractBackgroundCircumferential skin creases is a rare and heterogeneous disorder characterized by multiple and redundant skin folds, which can present as an isolated feature or in association with other phenotypic anomalies. Here, we report the case of a newborn who immediately captured our attention because of his phenotype.CaseA male Caucasian infant was born at 39 weeks and 4 days of gestational age with an instrumental delivery, after a pregnancy characterized by threat of preterm birth at 32 weeks. Fetal ultrasounds were reported to be normal. The patient was the first child of non‐consanguineous parents. Anthropometry at birth: weight 3.590 kg (0.57 SDS); length 53 cm (1.73 SDS); cranial circumference 35.5 cm (0.83 SDS). Clinical examination soon after birth revealed multiple, asymmetric and deep skin folds involving forearms, legs and lower eyelids (right > left). These folds seemed not to cause any physical discomfort. In addition, hypertrichosis, micrognathia, low‐set ears and a thin, down‐turned border of upper lip were observed. Cardio‐respiratory, abdominal and neurological examination was unremarkable. There was no family history of similar appearance or other physical abnormalities. Given the clinical picture, an array‐CGH was performed, which was normal. A genetic counseling was requested and Circumferential Skin Creases disorder was diagnosed based on the typical cutaneous involvement and, given the absence of other clinical signs, it was supposed a benign evolution, with skin folds tending to disappear over time. In addition, the baby's DNA was requested for a targeted genetic analysis, which resulted negative.ConclusionsThis clinical case underlines the need of performing a detailed neonatal physical examination in order to realize a timely diagnostic approach. Our patient presented with multiple skin folds, facial dysmorphism but normal systemic and neurological examination. Anyways, since Circumferential Skin Creases may be associated with later neurological symptoms, a regular reevaluation is recommended.
Temporal complexity measure of reaction time series: Operational versus event time
Authors: Mahmoodi Korosh , Kerick Scott E. , Grigolini Paolo , Franaszczuk Piotr J. , West Bruce J. 
Published: May 2023

AbstractIntroductionDetrended fluctuation analysis (DFA) is a well‐established method to evaluate scaling indices of time series, which categorize the dynamics of complex systems. In the literature, DFA has been used to study the fluctuations of reaction time Y(n) time series, where n is the trial number.MethodsHerein we propose treating each reaction time as a duration time that changes the representation from operational (trial number) time n to event (temporal) time t, or X(t). The DFA algorithm was then applied to the X(t) time series to evaluate scaling indices. The dataset analyzed is based on a Go–NoGo shooting task that was performed by 30 participants under low and high time‐stress conditions in each of six repeated sessions over a 3‐week period.ResultsThis new perspective leads to quantitatively better results in (1) differentiating scaling indices between low versus high time‐stress conditions and (2) predicting task performance outcomes.ConclusionWe show that by changing from operational time to event time, the DFA allows discrimination of time‐stress conditions and predicts performance outcomes.
Carbon disclosure policy, external financing needs and the cost of capital: Does financial market quality matter?
Authors: Rehman Atiqa , Gonenc Halit , Hermes Niels 
Published: May 2023

AbstractWe investigate whether the quality of financial markets matters for the relationship between net external financing, voluntary carbon disclosure and firms' cost of capital. External financing needs may create incentives for firms to engage in environmental strategies, such as disclosing their carbon emissions in response to demands from stakeholders. In countries with low financial market quality, firms may build a reputation when complying with stakeholders' demands. In these countries, firms disclosing carbon emissions and with high external financing needs may be rewarded with a lower cost of capital. Using an international sample of 24,253 firm‐year observations from 35 countries, we show that the higher firms' net external financing in the previous year, the more likely they are to disclose their carbon emissions in the current year. Moreover, the positive association between the likelihood of carbon disclosure and net external financing needs is stronger in countries with low financial market quality. We further show that disclosing firms with high external financing needs have a lower cost of capital as compared to disclosing firms with low external financing needs. This evidence also differs between countries with high versus low financial market quality.
The impact of sustainability‐oriented dynamic capabilities on firm growth: Investigating the green supply chain management and green political capabilities
Authors: Yi Yali , Demirel Pelin 
Published: May 2023

AbstractBuilding on the dynamic capabilities literature and natural‐resource‐based view, the paper examines whether firms can attain sales growth through a range of sustainability‐oriented dynamic capabilities including (1) internal green supply chain management capabilities, (2) external green supply chain management capabilities and (3) green political capabilities. Based on a dataset of 277 public US firms between 2010 and 2020, a panel quantile model of firm growth showcases that while internal green supply chain capabilities and green political capabilities affect firms' growth performance positively, external green supply chain capabilities are associated with slower growth. Importantly, the results indicate that the positive growth effects of green political capabilities are short‐lived, while those of internal green supply chain capabilities are long‐lived. The study contributes to the sustainability‐oriented dynamic capabilities literature by showing that different capabilities have different implications for firm growth depending on the firm's base performance and the time periods under consideration.
Computational Study of Single Metal Atom Anchored on Black Phosphorus for Methane Oxidation to Methanol by Nitrous Oxide
Authors: Jiang Wen‐qiang , Wang Hong‐juan , Su Yaqiong 
Published: May 2023

AbstractDirect conversion of methane to high‐value‐added transportable methanol is a great challenge, which requires high energy input to break the strong C−H bond. Developing efficient catalysts for methane oxidation to methanol under mild conditions is of vital importance. In this work, single transition metal atoms (TM=Fe, Co, Ni, Cu) anchored on black phosphorus (TM@BP) were studied as catalysts to assist the methane oxidation to methanol by means of first‐principles calculations. The results indicate that Cu@BP exhibits an outstanding catalytic activity through the radical reaction pathways and the formation of the Cu−O active site is rate‐determining with an energy barrier of 0.48 eV. Meanwhile, electronic structure calculations and dynamic simulations show that Cu@BP offers excellent thermal stability. Our calculations provide a new approach for the rational design of single atom catalysts for methane oxidation to methanol.
The First Cu(I)‐Peptoid Complex: Enabling Metal Ion Stability and Selectivity via Backbone Helicity
Authors: Behar Anastasia E. , Maayan Galia 
Published: May 2023

AbstractStabilization of Cu(I) is ubiquitous within native copper proteins. Understanding how to stabilize Cu(I) within synthetic biomimetic systems is therefore desired towards biological applications. Peptoids are an important class of peptodomimetics, that can bind metal ions and stabilize them in their high oxidation state. Thus, to date, they were not used for Cu(I) binding. Here we show how the helical peptoid hexamer, having two 2,2’‐bipyridine (Bipy) groups that face the same side of the helix, forms the intramolecular air stable Cu(I) complex. Further study of the binding site by rigorous spectroscopic techniques suggests that Cu(I) is tetracoordinated, binding to only three N atoms from the Bipy ligands and to the N‐terminus of the peptoid's backbone. A set of control peptoids and experiments indicates that the Cu(I) stability and selectivity are dictated by the intramolecular binding, forced by the helicity of the peptoid, which can be defined as the second coordination sphere of the metal center.
Direction Switching and Self‐Recovering Mechanochromic Luminescence of Anthracene‐Modified o‐Carboranes
Authors: Yuhara Kazuhiro , Tanaka Kazuo 
Published: May 2023

AbstractLuminochromic behaviors regarding mechanochromic luminescence (MCL) of o‐carborane‐modified anthracene derivatives are reported. We have previously synthesized bis‐o‐carborane‐substituted anthracene and found that its crystal polymorphs show dual‐emission properties composed of excimer and charge transfer (CT) emission bands in the solid state. Initially, we observed the bathochromic MCL behavior from 1 a originating from emission mechanism alteration from dual emission to CT emission. By inserting the ethynylene spacers between anthracene and o‐carboranes, compound 2 was obtained. Interestingly, 2 showed hypsochromic MCL originating from the emission mechanism alteration from CT to excimer emission. Furthermore, luminescent color of ground 1 a can be recovered to the initial state by allowing to stand at room temperature, meaning that self‐recovery proceeds. Detailed analyses are described in this study.
A Novel Nitridoborate Hydride Sr13[BN2]6H8 Elucidated from X‐ray and Neutron Diffraction Data
Authors: Wandelt Sophia L. , Mutschke Alexander , Khalyavin Dmitry , Steinadler Jennifer , Schnick Wolfgang 
Published: May 2023

AbstractMetal hydrides are an uprising compound class bringing up various functional materials. Due to the low X‐ray scattering power of hydrogen, neutron diffraction is often crucial to fully disclose the structural characteristics thereof. We herein present the second strontium nitridoborate hydride known so far, Sr13[BN2]6H8, formed in a solid‐state reaction of the binary nitrides and strontium hydride at 950 °C. The crystal structure was elucidated based on single‐crystal X‐ray and neutron powder diffraction in the hexagonal space group P63/m (no. 176), exhibiting a novel three‐dimensional network of [BN2]3− units and hydride anions connected by strontium cations. Further analyses with magic angle spinning (MAS) NMR and vibrational spectroscopy corroborate the presence of anionic hydrogen within the structure. Quantum chemical calculations reveal the electronic properties and support the experimental outcome. Sr13[BN2]6H8 expands the emerging family of nitridoborate hydrides, broadening the access to an open field of new, intriguing materials.
Creating Defects in the Active Site of Fe−N−C Catalyst Promotes Catalytic Performance for Oxygen Reduction Reaction
Authors: Yang Kun‐Zu , Xu Chao , Guo Peng‐Peng , Lu Chen , Xu Ying , Chi Hua‐Min , Wei Ping‐Jie , Liu Jin‐Gang 
Published: May 2023

AbstractDeveloping efficient non‐precious metal electrocatalysts to replace Pt‐based noble metal catalysts for oxygen reduction reaction (ORR) in energy conversion devices is highly desirable. Atomically dispersed Fe−N−C catalysts are the most promising alternatives of Pt for ORR; however, enhancing their intrinsic activity via active site modulation is still a challenge. Using an iron porphyrin‐functionalized MOFs as the precursor, we prepared a defects‐rich Fe−N−C catalyst and modulated its intrinsic activity by creating defects near the Fe−Nxsites through decarboxylation reaction. Due to the synergistic effect of the improved porous structure and created defects, the prepared Defects‐FeNC exhibited excellent performance for ORR with half‐wave potential of 0.895 Vvs. RHE in alkaline media. The Defects‐FeNC loaded Zn‐Air battery delivered much higher open circuit potential (OCP=1.463 V) and maximum power density (Pmax=151 mW cm−2) than the commercial 20 wt.% Pt/C (OCP=1.441 V;Pmax=119 mW cm−2) under similar experimental conditions. Defects in the catalyst could modulate the electronic structure of the Fe−Nx−C center that further promoted the catalyst catalytic activity for ORR. This work provides a facile active‐sites‐engineering approach for boosting the Fe−N−C catalyst ORR performance, which shows promising implications in energy conversion devices.