bluuebunny/crossref_metadata_2025_split huggingface dataset:
Komplexer Tanz von Molekülen am Himmel: Choreographie der intermolekularen Struktur und Dynamik im heteroternären Cluster Cyclopenten−CO2−H2O
Authors: Tian Xiao , Lei Juncheng , Gao Tianyue , Zou Siyu , Wang Xiujuan , Li Meiyue , Wang Chenxu , Chen Junhua , Grabow Jens‐Uwe , Jäger Wolfgang , Gou Qian 
Published: August 2024

AbstractDiese Studie untersucht die treibenden Kräfte hinter der Bildung eines heteroternären Clusters, der aus flüchtigen organischen Verbindungen industrieller Herkunft oder Verbrennungsquellen, insbesondere Cyclopenten, neben Treibhausgasen wie Kohlendioxid und Wasserdampf besteht. Obwohl beim Verständnis binärer Komplexe erhebliche Fortschritte erzielt wurden, sind die strukturellen Feinheiten heteroternärer Cluster weitgehend unerforscht. Unsere Studie charakterisiert den heteroternären Cyclopenten−CO2−H2O‐Cluster mithilfe der Fourier‐Transformations‐Mikrowellenspektroskopie. Im gepulsten Strahl wird ein Isomer beobachtet, in dem sich CO2 und H2O über dem Cyclopentenring ausrichten, wobei Wasser eine interne Rotation um seine C2‐Symmetrieachse vollführt. Theoretische Analysen stützen diese Beobachtungen und identifizieren eine O−H⋅⋅⋅π‐Wasserstoffbrücke und eine sekundäre C⋅⋅⋅O‐Tetrelbindung innerhalb des Clusters. Diese Studie stellt einen entscheidenden Schritt zum Verständnis der molekularen Dynamik und Wechselwirkungen von VOCs, Treibhausgasen und Wasser in der Atmosphäre dar und ebnet den Weg für weitere Untersuchungen ihrer Rollen in der Klimadynamik und Luftqualität.
A Clean One‐Pot Synthesis of Structurally Ordered Linear, Monocyclic, and Bicyclic Oligosiloxanes
Authors: Shinohara Yoshihiro , Hatori Makiko , Yamashita Hiroshi , Igarashi Masayasu , Sato Kazuhiko , Fukaya Norihisa , Shimada Shigeru 
Published: August 2024

AbstractA highly selective cross‐coupling reaction between Si−OAc (AcO=acetoxy) and Si−OH compounds that generates unsymmetrical and symmetrical oligosiloxanes concurrent with the release of acetic acid has been developed. The high selectivity arises from the reactivity difference that depends on the varying number of acetoxy groups present, thus facilitating a clean one‐pot synthesis of oligosiloxanes. For instance, the reactions of di‐, tri‐, or tetraacetoxysilanes with silanols furnish acetoxy‐containing di‐ and trisiloxanes in high yield. Two equivalents of tetraacetoxysilane can react with various silanediols to form 1,1,1,3,3,3‐hexaacetoxytrisiloxanes, which subsequently react with a second molecule of a silanediol to selectively afford 1,1,3,3‐tetraacetoxycyclotetrasiloxanes. The cyclotetrasiloxanes further react with a third molecule of silanediol to provide unprecedented bicyclic pentasiloxanes with acetoxy groups at the bridgehead silicon atoms. Applications of the acetoxy‐containing products as efficient surface‐treatment agents and new building blocks for highly heat‐resistant materials are demonstrated.
Hydrogen Bond‐Associated Photofluorochromism for Time‐Resolved Information Encryption and Anti‐counterfeiting
Authors: Xie Yuqian , Zhao Xiaomei , Wang Hong , Tian Yong , Liu Chunyang , Wu Jingmei , Cui Jiaxi , Zhou Zhihua , Chen Jian , Chen Xudong 
Published: August 2024

AbstractTime‐resolved photofluorochromism constitutes a powerful approach to enhance information encryption security but remains challenging. Herein, we report a strategy of using hydrogen bonds to regulate the time for initiating photofluorochromism. In our strategy, copolymers containing negative photochromic spiropyran (NSP), naphthalimide, and multiple hydrogen‐bonding (UPy) units are designed, which display photo‐switchable fluorescence resonance energy transfer (FRET) process from naphthalimide donor to the NSP acceptor. Interestingly, the FRET is locked via the dynamic hydrogen‐bonding interaction between ring‐opened NSP and UPy moieties, resulting in time‐dependent fluorescence. The change in fluorescence can be finely regulated via UPy fraction in the polymers. Besides the novel time‐dependent fluorescence, the polymers also take advantage of visible‐light triggerable, excellent photostability, photoreversibility, and processability. We demonstrate that these properties enable them many application opportunities such as fluorescent security labels and multilevel information encryption patterns.
Targeting CD13/Aminopeptidase N as a Novel Therapeutic Approach for Scleroderma Fibrosis
Authors: Muraoka Sei , Brodie William D. , Mattichak Megan N. , Gurrea‐Rubio Mikel , Ikari Yuzo , Foster Caroline , Amin M. Asif , Khanna Neha , Amin Hafsa , Campbell Phillip L. , Vichaikul Sirapa , Model Ellen N. , Omara Morgan M. , Petrovski Steven , Kozicki Karly , Amarista Camilia , Webber Anna , Ali Mustafa , Palisoc Pamela J. , Hervoso Jonatan , Ruth Jeffrey H. , Tsoi Lam C. , Varga John , Gudjonsson Johann E. , Khanna Dinesh , Fox David A. , Tsou Pei‐Suen 
Published: August 2024

ObjectiveSystemic sclerosis (SSc) is an autoimmune multisystem disease with poorly understood pathogenesis and ineffective treatment options. Soluble CD13 (sCD13), generated by the cleavage of cell surface CD13 via matrix metalloproteinase 14 (MMP14), signals through the bradykinin receptor B1 (B1R) to elicit pro‐inflammatory, pro‐arthritic, and pro‐angiogenic responses. In this study, we explored the antifibrotic potential of targeting the sCD13‐B1R axis in SSc.MethodsThe expression of CD13, B1R, and MMP14 was examined in SSc skin and explanted dermal fibroblasts. The efficacy of B1R antagonists in the inhibition on fibrosis was determined in vitro and in vivo.ResultsExpression of the genes for CD13, B1R, and MMP14 was elevated in skin biopsies from patients with diffuse cutaneous (dc) SSc. Notably, single‐cell analysis of SSc skin biopsies revealed the highest BDKRB1 expression in COL8A1‐positive myofibroblasts, a population exclusively seen in SSc. Transforming growth factor beta (TGFβ) induced the expression of BDKRB1 and production of sCD13 by dcSSc skin fibroblasts. Treatment of dcSSc fibroblasts with sCD13 promoted fibrotic gene expression, signaling, cell proliferation, migration, and gel contraction. The pro‐fibrotic responses of sCD13 or TGFβ were prevented by a B1R antagonist. Mice lacking Cd13 or Bdkrb1 were resistant to bleomycin‐induced skin fibrosis and inflammation. Pharmacological B1R inhibition had a comparable antifibrotic effect.ConclusionThese results are the first to demonstrate a key role for sCD13 in SSc skin fibrosis and suggest that targeting the sCD13‐B1R signaling axis is a promising novel therapeutic approach for SSc.image
Genomics of Terpene Biosynthesis in Dictyoceratid Sponges (Porifera) – What Do We (Not) Know?
Authors: Galitz Adrian , Vargas Sergio , Thomas Olivier P. , Reddy Maggie M. , Wörheide Gert , Erpenbeck Dirk 
Published: August 2024

AbstractSponges are recognized as promising sources for novel bioactive metabolites. Among them are terpenoid metabolites that constitute key biochemical defense mechanisms in several sponge taxa. Despite their significance, the genetic basis for terpenoid biosynthesis in sponges remains poorly understood. Dictyoceratida comprise demosponges well‐known for their bioactive terpenoids. In this study, we explored the currently available genomic data for insights into the metabolic pathways of dictyoceratid terpenoids. We first identified prenyltransferase (PT) and terpene cyclase (TC) enzymes essential for the terpenoid biosynthetic processes in the terrestrial realm by analyzing available transcriptomic and genomic data of Dictyoceratida sponges and 10 other sponge species. All Dictyoceratida sponges displayed various PTs involved in either sesqui‐ or diterpene, steroid and carotenoid production. Additionally, it was possible to identify a potential candidate for a dictyoceratid sesterterpene PT. However, analogs of common terrestrial TCs were absent, suggesting the existence of a distinct or convergently evolved sponge‐specific TC. Our study aims to contribute to the foundational understanding of terpene biosynthesis in sponges, unveiling the currently evident genetic components for terpenoid production in species not previously studied. Simultaneously, it aims to identify the known and unknown factors, as a starting point for biochemical and genetic investigations in sponge terpenoid production.
The Hydrogen‐Bond Continuum in the Salt/Cocrystal Systems of Quinoline and Chloro‐Nitrobenzoic Acids
Authors: Radek Štoček Jakub , Blahut Jan , Chalupná Simona , Čejka Jan , Štěpánová Sille , Kašička Václav , Hušák Michal , Dračínský Martin 
Published: August 2024

AbstractThis study investigates the hydrogen‐bond geometry in six two‐component solid systems composed of quinoline and chloro‐nitrobenzoic acids. New X‐ray diffraction studies were conducted using both the conventional independent‐atom model and the more recent Hirshfeld atom‐refinement method, with the latter providing precise hydrogen‐atom positions. The systems can be divided into salts (the hydrogen atom transferred to the quinoline nitrogen), cocrystals (the hydrogen atom retained by the acid), and intermediate structures. Solid‐state NMR experiments corroborated the X‐ray diffraction‐derived H−N distances. DFT calculations, using five functionals including hybrid B3LYP and PBE0, showed varying energy profiles for the hydrogen bonds, with notable differences across functionals. These calculations revealed different preferences for salt or cocrystal structures, depending on the functional used. Path‐integral molecular dynamics simulations incorporating nuclear quantum effects demonstrated significant hydrogen‐atom delocalization, forming a hydrogen‐bond continuum, and provided average N−H distances in excellent agreement with experimental results. This comprehensive experimental and theoretical approach highlights the complexity of multicomponent solids. The study emphasizes that the classification into salts or cocrystals is frequently inadequate, as the hydrogen atom is often significantly delocalized in the hydrogen bond. This insight is crucial for understanding and predicting the behavior of such systems in pharmaceutical applications.
MXene ink printing of high‐performance micro‐supercapacitors
Authors: Wang Yitong , Wang Yuhua 
Published: August 2024

AbstractThe addition of two‐dimensional MXene materials gives micro‐supercapacitors (MSCs) the advantages of higher power density, faster charging and discharging speeds, and longer lifetimes. To date, various fabrication methods and strategies have been used to finely synthesize MXene electrodes. However, different technologies not only affect the electrode structure of MXene but also directly affect the performance of MSCs. Here, we provide a comprehensive and critical review of the design and microfabrication strategies for MXene's fork‐finger microelectrodes. First, we provide a systematic overview of micromachining techniques applied to MXene, including graphic cutting, screen‐printing, 3D printing, inkjet, and stamp methods. In addition, we discuss in detail the advantages and disadvantages of these machining techniques, summarizing the environment in which the technique is used and the results expected to be achieved. Finally, the challenges as well as the outlook for future applications are summarized to promote the further development of MXene materials in the field of MSCs.
Doping‐Induced Enhancement of Hydrogen Evolution at MoS2 Electrodes
Authors: Hanslin Sander Ø. , Jónsson Hannes , Akola Jaakko 
Published: August 2024

AbstractRate theory and DFT calculations of hydrogen evolution reaction (HER) on MoS2 with Co, Ni and Pt impurities show the significance of dihydrogen (H2*) complex where both hydrogen atoms are interacting with the surface. Stabilization of such a complex affects the competing Volmer–Heyrovsky (direct H2 release) and Volmer‐Tafel (H2* intermediate) pathways. The resulting evolution proceeds with a very small overpotential for all dopants (
=0.1 to 0.2 V) at 25 % edge substitution, significantly reduced from the already low
=0.27 V for the undoped edge. At full edge substitution, Co‐MoS2 remains highly active (
=0.18 V) while Ni‐ and Pt‐MoS2 are deactivated (
=0.4 to 0.5 V) due to unfavorable interaction with H2*. Instead of the single S‐vacancy, the site of intrinsic activity in the basal plane was found to be the undercoordinated central Mo‐atom in threefold S‐vacancy configurations, enabling hydrogen evolution with
=0.52 V via a H2* intermediate. The impurity atoms interact favorably with the intrinsic sulfur vacancies on the basal plane, stabilizing but simultaneously deactivating the triple vacancy configuration. The calculated shifts in overpotential are consistent with reported measurements, and the dependence on doping level may explain variations in experimental observations.
Effect of Aggregated Lysozyme on Fluorescence Properties of Rose Bengal
Authors: Takebe Gen , Okazaki Shigetoshi , Ottevaere Heidi 
Published: August 2024

AbstractProtein aggregates cause abnormal states and trigger various diseases, including neurodegenerative disorders. This study examined whether the xanthene dye derivative Rose Bengal could track a series of conformational changes in protein aggregates. Using lysozyme as a model protein, aggregated proteins were prepared by heating under acidic conditions. The absorption spectra, steady‐state fluorescence spectra, fluorescence quantum yield, fluorescence lifetime, and phosphorescence lifetime of a solution containing Rose Bengal in the presence of aggregated lysozyme were measured to identify their spectroscopic characteristics. The absorption spectrum of Rose Bengal changed significantly during the formation of agglomerates in heated lysozyme. Additionally, the fluorescence intensity decreased during the initial stages of the aggregation process with an increase in heating time, followed by an increase in intensity along with a red‐shift of the peak wavelength. The decrease in quantum yield with a fixed fluorescence lifetime supported the formation of a nonfluorescent ground‐state complex between Rose Bengal and the aggregated lysozyme. Based on the characteristic changes in absorption and fluorescence properties observed during the aggregation process, Rose Bengal is considered an excellent indicator for the sensitive discernment of aggregated proteins.
Atg16l2 augments Nlrc4 inflammasome activation by facilitating NAIPs–NLRC4 association
Authors: Wen Zhoujin , Yuan Tianli , Liu Jiamin , Wang Dongyang , Ni Jun , Yan Xuehan , Tang Jian , Tang Jiayin , Wu Xuefeng , Wang Zheng 
Published: August 2024

AbstractAs cytoplasmic protein complexes that are pivotal for innate immunity, inflammasomes act primarily through the detection of pathogen‐ or danger‐associated molecular patterns. Nucleotide oligomerisation domain‐like receptor family and caspase activation recruitment domain‐containing protein 4 (NLRC4) inflammasomes identify and eliminate intracellular pathogens, a process contingent on the ligand‐recognition capabilities of neuronal apoptosis inhibitory proteins (NAIPs). Upon detection of specific molecules indicative of intracellular infection, NAIPs discern distinct pathogenic components and subsequently transmit signals to NLRC4, thus initiating their activation and triggering an inflammatory response. However, the mechanisms underlying NLRC4 inflammasome remain unclear. In this study, we elucidated the critical role of ATG16L2 in activating the NLRC4 inflammasome. ATG16L2‐deficient macrophages exhibited reduced NLRC4 inflammasome activation, characterised by decreased oligomerisation of apoptosis‐associated speck‐like protein containing a CARD and attenuated cleavage of Pro‐caspase‐1, Pro‐IL‐1β and gasdermin D. Co‐immunoprecipitation assays revealed an interaction between ATG16L2 and NAIPs. Furthermore, ATG16L2 enhanced the association between NAIPs and NLRC4 by binding to NAIPs. For ATG16L2‐knockout mice infected with Salmonella typhimurium, pathogen clearance and survival rates markedly decreased. Collectively, our findings suggest that ATG16L2 is a significant modulator of the innate immune system, influencing the activity of the NLRC4 inflammasome and the host's defensive response to intracellular pathogens.
Vanadium(V/IV) Oxido Complexes: Potential as Bases in Frustrated Lewis Pairs
Authors: Milinkovic Angela , Dupé Antoine , Mösch‐Zanetti Nadia C. 
Published: August 2024

AbstractFrustrated Lewis Pairs (FLP) have found exciting access in catalysis and small molecule activation. Here, we describe the potential of two vanadium(V) oxido complexes with monoanionic bidentate N,O donors, [VOCl(LCF3)2] (1 a), [VOCl(LH)2] (1 b) as bases in FLPs. Upon reaction of 1 a with the Lewis acid B(C6F5)3 the FLP [VOCl(LCF3)2]/B(C6F5)3 (1 a/B(C6F5)3) was observed. Addition of Ph3SiH led to the reduction of VV to VIV under formation of the adduct [V{OB(C6F5)3}(LCF3)2] (2 a) while FLP reactivity was not observed. Dissolving 2 a in CH3CN leads to the VIV oxido complex, [VO(LCF3)2] (3 a). In contrast, when 1 b was reacted with B(C6F5)3, a VIV oxido complex [VO(LH)2] (3 b) was obtained. Upon addition of B(C6F5)3 to 3 b no reaction leading to the expected adduct such as 2 a could be observed. Only few crystals deriving from a disproportion reaction could be identified as an adduct dimer [V{OB(C6F5)3}LH(μ‐O)]2. While FLP reactivity could not be found yet with the described systems, the redox labile nature and versatility of the metal complexes are demonstrated.
The responsibility of setting a bad example: Models are blamed for their imitators’ behaviour
Authors: Kardos Peter , Leidner Bernhard , Lickel Brian 
Published: August 2024

AbstractImitating each other is a central element of human nature and everyday life. Modelling – setting an example to others – and imitation – when the modelled behaviour is copied – are just as fundamental to learning as to maintaining and transmitting culture. Yet, the moral connotations of modelling and imitation are not well understood. Building on and extending the theoretical framework of vicarious responsibility, we investigate the imitated model's responsibility and the psychological processes underlying blame attribution to the model for their imitators’ behaviour. We argue that people understand that imitating a wrongdoing renders it potentially more consequential and that people account for these additional consequences in their appraisals of the original, modelled wrongdoing. Moreover, we hypothesized that models would be blamed for their imitators’ harmful behaviour to the extent that the observers copied the model's action. Five studies (Ntotal = 945) utilizing various contexts from animal mistreatment to online bullying, three of them preregistered, provide consistent support for our hypotheses and show that models are blamed for their imitators’ behaviour, that is, for setting a bad example for others. Extending present theories of vicarious responsibility, we demonstrate that shared group membership is not always a necessary requirement for vicarious blame attributions.
Explaining a collective false alarm: Context and cognition in the Oxford Street crowd flight incident
Authors: Barr Dermot , Drury John , Bell Linda , Devynck Nils , Gayretli Çağla , Lalli Simran , Linfield Harry 
Published: August 2024

AbstractCollective false alarms can cause significant disruption, costly emergency response, and distress. Yet an adequate psychological explanation for these incidents is lacking. We interviewed 39 participants and analysed multiple secondary data sources from the 2017 false alarm in Oxford Street, UK, to develop a new explanation of this phenomenon. There was evidence that awareness of recent collectively self‐relevant terrorist attacks lowered the threshold for interpreting ambiguous signals as signs of hostile threat. Interviewees also fled and hid after inferring threats from others’ fear and flight responses. Cooperative behaviour was sporadic and was associated with an emergent sense of groupness that occurred in limited locations. The analysis suggests that crowd behaviour in false alarms has more in common with the meaningful behaviour typically found in real emergencies than with the image of uncontrolled ‘mass panic’ portrayed in news media. These findings have implications for policy in preparing the public for terrorist attacks.
Sudden‐onset projectile rhinorrhea from the right nostril
Authors: Choi Yeon Soo , Lee Yunhyung , Park Marn Joon 
Published: August 2024

AbstractBackgroundParanasal sinus retention cysts are non‐neoplastic psuedocysts that accumulate nasal fluids. Since most of these cysts are incidentally diagnosed and may even diminish spontaneously, no further diagnosis or therapies are needed for most patients. In contrast, when an abrupt, unilateral, watery nasal discharge is noticed, cerebrospinal fluid (CSF) rhinorrhea should be suspected, which is a true “red flag sign,” since ignored CSF rhinorrhea may be fatal.Case ReportHerein we report a case of a 42‐year‐old male with an acute, unilateral, profusely projectile serous rhinorrhea without any trauma or sinonasal surgery history. Following an urgent computed tomography, no skull base abnormalities were seen, ruling out the possibility of CSF rhinorrhea. However, a “ruptured” retention cyst in the maxillary sinus was noticed. Thus, it was concluded that the patient’s projectile unilateral serous rhinorrhea was due to a rupturing of the retention cyst in the affected maxillary sinus. The patient remained asymptomatic afterwards, negating the surgical removal or further follow‐up visits.ConclusionWhile the majority of paranasal sinus retention cyst cases are symptomless, spontaneous rupture of these cysts may take place and result in a sudden and vigorous release of nasal secretions, mimicking CSF rhinorrhea, as seen in our case.