bluuebunny/crossref_metadata_2025_split huggingface dataset:
Temperature control of the growth of iron oxide nanoislands on Fe(001)
Authors: Yamada Toyo Kazu , Sakaguchi Yuki , Gerhard Lukas , Wulfhekel Wulf 
Published: July 2016

Abstract
The control of atomically flat interfaces between iron (Fe) and insulating oxide films, such as the Fe/MgO(001) interface, is crucial for tunnel-magnetoresistance (TMR) devices. However, the realization of an ideal atomically flat and clean interface is rather difficult since iron easily binds to impurities such as oxygen. Atomic step defects and iron oxide at the interface could reduce TMR. In this study, the oxidization of an atomically flat and clean Fe(001)-whisker single crystal at different substrate and annealing temperatures was investigated with an ultrahigh-vacuum scanning tunneling microscope (STM). Annealing up to a temperature of 850 K was required to obtain ordered and atomically flat Fe(001)-p(1×1)O terraces after the oxidization with the coexistence of Fe–O nanoislands (∼1 nm in height, ∼50 nm in size). We found that the growth of such nanoislands, which enhances interface roughness, strongly depends on the substrate temperature (T
S) during the oxidization. A T
S lower than 300 K reduces the coverage by the nanoislands to less than 10%.
Stereoisomeric Homo‐ and Hetero‐Binuclear Iridium(III) Complexes with 3‐Oxidopicolinate Bridging Ligand and Their Application in OLEDs
Authors: Bejoymohandas Kochan Sathyaseelan , Baschieri Andrea , Reginato Francesco , Toffanin Stefano , Prosa Mario , Bandini Elisa , Mazzanti Andrea , Monti Filippo 
Published: September 2024

AbstractThe small and simple 3‐hydroxypyridine‐2‐carboxylic acid (Hpic‐OH) is explored as asymmetric bridging ligand for the synthesis of neutral binuclear cyclometalated iridium(III) complexes. Once fully deprotonated the picO2– ligand can act as ancillary ligand toward two iridium centers adopting both the N^O– and O^O– chelation modes. To tune the energy of the excited states within such binuclear complexes, the 2‐(2,4‐difluorophenyl)pyridine (Hdfppy) and the 2‐phenylbenzothiazole (Hpbtz) are used as cyclometalating ligands to respectively obtain both blue‐ or orange‐emissive homo‐cyclometalated complexes (BB and YY, with formula [Ir(dfppy)2]2(picO) and [Ir(pbtz)2]2(picO), respectively). Moreover, for the first time, short‐bridged hetero‐cyclometalated binuclear complexes are also obtained (BY and YB, with formula [Ir(dfppy)2](picO)[Ir(pbtz)2] and [Ir(pbtz)2](picO)[Ir(dfppy)2]). Depending on the reciprocal arrangement of the cyclometalating ligands on the two sides of the small picolinate bridge, two couples of diastereoisomers are obtained and efficiently separated, as proved by combined NMR and DFT studies. The reported binuclear complexes are highly emissive with photoluminescence quantum yields (PLQYs) up to 67%, which are comparable to those of their mononuclear analogues (B and Y). Due to the full reversibility of their redox processes, all the complexes are also tested in solution‐processed organic light‐emitting diodes, providing unique OLEDs based on hetero‐binuclear cyclometalated iridium(III) complexes.
Organic THz Crystals Based on Off‐Diagonal Optical Nonlinearity with Optimal In‐Plane Polar Axis
Authors: Lee Chae‐Won , Kim Chaeyoon , Yoon Woojin , Yun Hoseop , Jazbinsek Mojca , Rotermund Fabian , Kwon O‐Pil 
Published: September 2024

AbstractHighly efficient off‐diagonal THz generators based on novel organic nonlinear optical single crystals with optimal polar axis orientation in the as‐grown crystal morphology are introduced. The newly developed fluorinated and non‐fluorinated cationic chromophores exhibit a non‐centrosymmetric crystal structure with P21 space group symmetry in the crystalline phase. In particular, PB5FB‐T (5‐fluoro‐2‐(4‐(2‐(hydroxymethyl)pyrrolidin‐1‐yl)styryl)‐3‐methylbenzothiazol‐3‐ium 4‐methylbenzenesulfonate) crystals have an in‐plane polar axis, along with a top‐level off‐diagonal component of the nonresonant effective first hyperpolarizability of ≈100 × 10−30 esu. This stands in stark contrast to previously reported organic THz crystals, which either show a small off‐diagonal optical nonlinearity with an in‐plane polar axis or a large off‐diagonal optical nonlinearity with an almost out‐of‐plane polar axis. Employing an off‐diagonal THz generation configuration, PB5FB‐T crystals generate a THz electric field approximately four times higher than previously reported benchmark analogous crystals with a polar axis nearly out‐of‐plane. Moreover, PB5FB‐T crystals yield smooth THz spectral shapes without significant absorption dimples up to 6 THz when utilizing 130‐fs pump pulses at the wavelength of 1300 nm.
Engineering PbSnSe Heterostructures for Luminescence Out to 8 µm at Room Temperature
Authors: Meyer Jarod E. , Nordin Leland , Carrasco Rigo A. , Webster Preston T. , Dumont Mario , Mukherjee Kunal 
Published: September 2024

AbstractLow‐cost, room‐temperature operating light emitters in the 3–8 µm mid‐wave infrared wavelengths are desired for a broad range of applications such as chemical spectroscopy and infrared scene projection. The photoluminescence properties of PbSnSe ternary alloys grown by molecular beam epitaxy on (001) GaAs are studied in this work. Despite a large threading dislocation density, much greater than 109 cm−2, room temperature photoluminescence out to a peak wavelength of 8.4 µm is observed. In situ surface passivation with amorphous GeSe and an optimized thick PbSe buffer layer are shown to be necessary for enabling bright photoluminescence in PbSnSe heterostructures, stemming from Sn‐related defect complexes generated from ambient exposure and lying near the GaAs interface. Luminescence is found to be strongly blueshifted by unrelaxed tensile strains associated with thermal expansion and lattice constant mismatch, which makes emission wavelengths farther in the infrared more difficult to achieve. Carrier recombination analysis indicates room for further improvement as luminescence efficiencies are still limited by extrinsic mechanisms rather than intrinsic Auger recombination. Overall, this work demonstrates the exciting potential of PbSnSe for spontaneous emission in the mid‐wave infrared at room temperature, alongside more established material platforms like InAsSb.
In Situ Label‐Free Monitoring of Riboflavin Concentration in Shewanella via a Fiber‐Optic Biosensor Modified by Ti3C2‐MXene@ SGNps Composites
Authors: Jin Po , Zhou Enze , Cheng Liangliang , Zheng Wanlu , Zhao Yong , Zhai Shuang , Zhang Ya‐nan 
Published: September 2024

AbstractRiboflavin is a common marker of microbial corrosion and can act as an electron shuttle in the solvated state to enhance electron transfer efficiency. In this paper, an in‐situ label‐free fiber‐optic biosensor modified by Ti3C2‐MXene@Square Gold nanoparticles (SGNps) composites and riboflavin kinase is developed, which behaved with high sensitivity for measuring riboflavin. The sensing interface of the sensor is constructed by stepwise assembly of SGNps and riboflavin kinase using Ti3C2‐MXene nanosheets as the supporting substrate. Riboflavin kinase catalyzed the phosphorylation of riboflavin to form flavin mononucleotides in the presence of adenine nucleoside triphosphate and Mg2+. Experimental results showed that the sensitivity of riboflavin measurement is 5.61 nm µm−1 and the limit of detection (LOD) is 115 nmol L−1 (nm) in the concentration range of 0–2.656 µm. In situ label‐free monitoring of riboflavin in Shewanella, the sensitivity of the sensor in bacterial fragmentation fluid is 53.90 nm/OD within the optical density (OD) of 0–0.175, and the LOD is OD = 0.017. The above results verified the feasibility of the sensor for in situ monitoring of riboflavin in microbial corrosive environments, with ultra‐low detection limit and good selectivity, which undoubtedly provided great research value for the application of optical fiber sensors in microbial corrosion monitoring.
Sex Differences in Strength During Development: Implications for Inclusivity and Fairness in Sport
Authors: Loenneke Jeremy P. , Abe Akemi , Yamasaki Sakiya , Tahara Ryoji , Abe Takashi 
Published: September 2024

ABSTRACTObjectivesMales, on average, are bigger and stronger than females. Hormonal differences during puberty are one reason given for this performance advantage. However, not all evidence supports that thesis. Our aim was to further this discussion by measuring early life changes between sexes (when hormones would be similar) in components of muscle function.MethodsFifty‐one children (29 boys, 22 girls) completed this study. Forearm muscle size and strength were assessed three times with each time point being separated by approximately a year (2021–2023).ResultsThere was no sex*time interaction for handgrip strength (p = 0.637). There was, however, a time (p < 0.001) and sex (p < 0.001) effect. Strength increased each year and boys were stronger than girls (difference of 1.5 [95% 0.7, 2.3] kg). There was no sex*time interaction for ulnar muscle thickness (p = 0.714) but there was a time (p < 0.001) effect. Muscle size increased each year but there was no evidence of a sex effect (p = 0.12; difference of 0.81 [95% −0.21, 1.8] mm). A strong positive within‐participant correlation between muscle size and strength (r = 0.803 95% CI: [0.72, 0.86], p < 0.0001) was found across time.ConclusionMuscle size and strength increased together but this increase did not differ based on sex and boys were stronger than girls. Future work is needed to determine the reason for this difference in maximal strength. Any effect was seemingly present at the initial measurement (at the age of 4 years), since muscle size and strength did not change differently between boys and girls over time.
Selective Covalent Inhibiting JNK3 by Small Molecules for Parkinson's Diseases
Authors: Shuai Wen , Yang Panpan , Xiao Huan , Zhu Yumeng , Bu Faqian , Wang Aoxue , Sun Qiu , Wang Guan , Ouyang Liang 
Published: September 2024

Abstractc‐Jun N‐terminal kinases (JNKs) including JNK1/2/3 are key members of mitogen‐activated protein kinase family. Wherein JNK3 is specifically expressed in brain and emerges as therapeutic target, especially for neurodegenerative diseases. However, developing JNK3 selective inhibitors as chemical probes to investigate its therapeutic potential in diseases remains challenging. Here, we adopted the covalent strategy for identifying JNK3‐selective covalent inhibitor JC16I, with high inhibitory activity against JNK3. Despite targeting a conserved cysteine in the vicinity of ATP pocket in JNK family, JC16I exerted a greater than 160‐fold selectivity for JNK3 over JNK1/2. Importantly, even at low concentration, JC16I showed enhanced and long‐lasting inhibition against cellular JNK3. In addition, its alkyne‐containing probe JC‐P1 could label JNK3 in SH‐SY5Y cell lysate and living cells, with good proteome‐wide selectivity. JC16I selectively suppressed the abnormal activation of JNK3 signaling and sufficiently exhibited neuroprotective effect in Parkinson's diseases (PD) models. Overall, our findings highlight the potential of developing isoform‐selective and cell‐active JNK3 inhibitors by covalent drug design strategy targeting a conserved cysteine. This work not only provides a valuable chemical probe for JNK3‐targeted investigations in vitro and in vivo but also opens new avenues for the treatment of PD.
Mechanochemical “Cage‐on‐MOF” Strategy for Enhancing Gas Adsorption and Separation through Aperture Matching
Authors: Liang Yu , Xie Gongfu , Liu Kang‐Kai , Jin Meng , Chen Yuanyuan , Yang Xiaoxin , Guan Zong‐Jie , Xing Hang , Fang Yu 
Published: September 2024

AbstractPost‐modification of porous materials with molecular modulators has emerged as a well‐established strategy for improving gas adsorption and separation. However, a notable challenge lies in maintaining porosity and the limited applicability of the current method. In this study, we employed the mechanochemical “Cage‐on‐MOF” strategy, utilizing porous coordination cages (PCCs) with intrinsic pores and apertures as surface modulators to improve the gas adsorption and separation properties of the parent MOFs. We demonstrated the fast and facile preparation of 28 distinct MOF@PCC composites by combining 7 MOFs with 4 PCCs with varying aperture sizes and exposed functional groups through a mechanochemical reaction in 5 mins. Only the combinations of PCCs and MOFs with closely matched aperture sizes exhibited enhanced gas adsorption and separation performance. Specifically, MOF‐808@PCC‐4 exhibited a significantly increased C2H2 uptake (+64 %) and a longer CO2/C2H2 separation retention time (+40 %). MIL‐101@PCC‐4 achieved a substantial C2H2 adsorption capacity of 6.11 mmol/g. This work not only highlights the broad applicability of the mechanochemical “Cage‐on‐MOF” strategy for the functionalization of a wide range of MOFs but also establishes potential design principles for the development of hybrid porous materials with enhanced gas adsorption and separation capabilities, along with promising applications in catalysis and intracellular delivery.
Synthesis and Antitumor Activity of Photosensitizer Eugenol Porphyrin Derivatives: A Combination Therapy of Chemotherapy and Photodynamic Therapy
Authors: Li Hui , Tang Chen , Liu Zhenhua , Tian Zejie , Shi Lei , Yang Lingyan , He Jun , Ai Wenbin , He Xufeng , Liu Yunmei 
Published: September 2024

ABSTRACTPhotodynamic therapy (PDT) is a promising treatment for cancer. At present, the development of photosensitizers has become a hot spot for research at home and abroad. In this study, 20 porphyrin‐butylphenol compounds were synthesized, and the structures of the target compounds were analyzed by means of 1H NMR, IR, mass spectrometry, and other analytical methods. The quantum yield of the target compound as a photosensitizer for the production of singlet oxygen was determined by using a DPBF reactive oxygen probe (1,3‐diphenylisobenzofuran). The anticancer activity of the synthesized target compounds was studied using HepG2 cells and A549 cells. The results of the singlet oxygen experiments showed that the Zn metal chelated compound had better singlet oxygen production than the free‐base porphyrin. The cellular activity assays showed that the metal‐chelated compounds exhibited better in vitro antitumor activity.
Cannabinol modulates the endocannabinoid system and shows TRPV1‐mediated anti‐inflammatory properties in human keratinocytes
Authors: Di Meo Camilla , Tortolani Daniel , Standoli Sara , Ciaramellano Francesca , Angelucci Beatrice Clotilde , Tisi Annamaria , Kadhim Salam , Hsu Eric , Rapino Cinzia , Maccarrone Mauro 
Published: September 2024

AbstractCannabinol (CBN) is a secondary metabolite of cannabis whose beneficial activity on inflammatory diseases of human skin has attracted increasing attention. Here, we sought to investigate the possible modulation by CBN of the major elements of the endocannabinoid system (ECS), in both normal and lipopolysaccharide‐inflamed human keratinocytes (HaCaT cells). CBN was found to increase the expression of cannabinoid receptor 1 (CB1) at gene level and that of vanilloid receptor 1 (TRPV1) at protein level, as well as their functional activity. In addition, CBN modulated the metabolism of anandamide (AEA) and 2‐arachidonoylglicerol (2‐AG), by increasing the activities of N‐acyl phosphatidylethanolamines‐specific phospholipase D (NAPE‐PLD) and fatty acid amide hydrolase (FAAH)—the biosynthetic and degradative enzyme of AEA—and that of monoacylglycerol lipase (MAGL), the hydrolytic enzyme of 2‐AG. CBN also affected keratinocyte inflammation by reducing the release of pro‐inflammatory interleukin (IL)‐8, IL‐12, and IL‐31 and increasing the release of anti‐inflammatory IL‐10. Of note, the release of IL‐31 was mediated by TRPV1. Finally, the mitogen‐activated protein kinases (MAPK) signaling pathway was investigated in inflamed keratinocytes, demonstrating a specific modulation of glycogen synthase kinase 3β (GSK3β) upon treatment with CBN, in the presence or not of distinct ECS‐directed drugs. Overall, these results demonstrate that CBN modulates distinct ECS elements and exerts anti‐inflammatory effects—remarkably via TRPV1—in human keratinocytes, thus holding potential for both therapeutic and cosmetic purposes.
Elucidating sequence‐function relationships in a template‐independent polymerase to enable novel DNA recording applications
Authors: Milisavljevic Marija , Rodriguez Teresa Rojas , Tyo Keith E. J. 
Published: September 2024

AbstractHarnessing DNA as a high‐density storage medium for information storage and molecular recording of signals has been of increasing interest in the biotechnology field. Recently, progress in enzymatic DNA synthesis, DNA digital data storage, and DNA‐based molecular recording has been made by leveraging the activity of the template‐independent DNA polymerase, terminal deoxynucleotidyl transferase (TdT). TdT adds deoxyribonucleotides to the 3′ end of single‐stranded DNA, generating random sequences of single‐stranded DNA. TdT can use several divalent cations for its enzymatic activity and exhibits shifts in deoxyribonucleotide incorporation frequencies in response to changes in its reaction environment. However, there is limited understanding of sequence‐structure‐function relationships regarding these properties, which in turn limits our ability to modulate TdT to further advance TdT‐based tools. Most TdT literature to‐date explores the activity of murine, bovine or human TdTs; studies probing TdT sequence and structure largely focus on strictly conserved residues that are functionally critical to TdT activity. Here, we explore non‐conserved TdT sequence space by surveying the natural diversity of TdT. We characterize a diverse set of TdT homologs from different organisms and identify several TdT residues/regions that confer differences in TdT behavior between homologs. The observations in this study can design rules for targeted TdT libraries, in tandem with a screening assay, to modulate TdT properties. Moreover, the data can be useful in guiding further studies of potential residues of interest. Overall, we characterize TdTs that have not been previously studied in the literature, and we provide new insights into TdT sequence‐function relationships.
Towards integrative multi‐stakeholder responsibility for net zero in e‐waste: A systematic literature review
Authors: Cao Dongmei , Puntaier Elmar , Gillani Fatima , Chapman Dennis , Dewitt Sunita 
Published: September 2024

AbstractDespite extensive research on e‐waste management, the integrative responsibilities of multi‐stakeholders and the dependency on technology remain underexplored. This study aims to develop an integrative multi‐stakeholder responsibility model to advance the net‐zero goal in e‐waste management. Following the PRISMA protocol, we conducted a systematic review of 99 articles. The review revealed three themes of stakeholder responsibility, four performance measure categories, three e‐waste solutions, and four roles of smart technologies. These insights informed the development of a conceptual model to enhance environmental performance in e‐waste. The proposed model emphasises critical attributes of multi‐stakeholder relationships, including partnership, shared responsibility, inclusiveness, and transparency; it offers practical guidance for multi‐stakeholders in prioritising efficient and mature technologies to be adopted and diffused, enabling effective e‐waste management. Our study extends stakeholder theory from an organisation‐centric to a problem‐based perspective, highlighting its practical implications for effective e‐waste management and suggesting future research directions for sustainability.
The automated sustainability auditor: Does artificial intelligence curtail greenwashing behavior in Chinese firms?
Authors: Khan Muhammad Kaleem , Huo Chunhui , Zahid R. M. Ammar , Maqsood Umer Sahil 
Published: September 2024

AbstractCorporate stakeholders are intrigued by the potential collaboration between AI and environmental reporting to maintain competitiveness in the digital and sustainable economy. This exploration is crucial given the persistent pressures driving companies to engage in greenwashing practices for legitimacy. Aiming to shed light on the function of AI in reducing the prevalence of greenwashing by Chinese businesses, the findings, derived from panel data estimation of Chinese A‐share firms, suggest that the implementation of AI has a positive impact on the fight against greenwashing. The investigation presents compelling evidence that greenwashing mechanism control can be accelerated by AI technologies. Organizations that invest strategically in artificial intelligence exhibit a diminished propensity to obfuscate environmental performance by means of AI‐enabled automation and enhanced data‐driven decision‐making. Intriguingly, the study demonstrates that the substantial disparate greenwashing impact of AI depends on ownership structure. In comparison to non‐SOEs, state‐owned enterprises (SOEs) demonstrate diminished AI control over greenwashing. Significantly, the research utilizes a variety of validation methods, such as instrumental variable approach, propensity score matching, and two‐stage least squares, to ensure the validity of the primary findings.
Circular economy‐based operational strategies in the management of solar photovoltaics e‐waste: A multi‐stakeholder perspective
Authors: Gautam Ayush , Shankar Ravi , Vrat Prem 
Published: September 2024

AbstractThe growing field of circular economy (CE) offers a promising framework for the sustainable management of end‐of‐life (EOL) electronic waste (e‐waste). However, translating this concept into a practical solution necessitates a nuanced understanding of implementation hurdles. This study delves into the complexities of EOL solar photovoltaic (PV) e‐waste management within the Indian context. We propose a novel, structurally defined CE model specifically designed to address these challenges. Our research engages a diverse group of stakeholders, encompassing academic experts, e‐waste collectors, and recyclers. By leveraging established literature and expert insights, we identify and analyze 18 key inhibitors to CE implementation. The Grey‐DEMATEL method is employed to elucidate the causal relationships and interdependencies among these inhibitors, while Euclidean distance analysis reveals areas of consensus and divergence in stakeholder perspectives. Our findings highlight prevalent challenges, including a lack of incentives for e‐waste collection and recycling, alongside shortcomings in extended producer responsibility and producer responsibility organization strategies. Ultimately, this investigation informs the development of targeted interventions aimed at bolstering reduce‐reuse‐recycle initiatives for EOL solar PV e‐waste within the Indian solar energy sector.