bluuebunny/crossref_metadata_2025_split huggingface dataset:
Elucidating Conformational Dynamics and Thermostability of Designed Aromatic Clusters by Using Protein Cages
Authors: Hishikawa Yuki , Noya Hiroki , Nagatoishi Satoru , Yoshidome Takashi , Maity Basudev , Tsumoto Kouhei , Abe Satoshi , Ueno Takafumi 
Published: April 2023

AbstractMultiple aromatic residues assemble to form higher ordered structures known as “aromatic clusters” in proteins and play essential roles in biological systems. However, the stabilization mechanism and dynamic behavior of aromatic clusters remain unclear. This study describes designed aromatic interactions confined within a protein cage to reveal how aromatic clusters affect protein stability. The crystal structures and calorimetric measurements indicate that the formation of inter‐subunit phenylalanine clusters enhance the interhelix interactions and increase the melting temperature. Theoretical calculations suggest that this is caused by the transformation of the T‐shaped geometry into π‐π stacking at high temperatures, and the hydration entropic gain. Thus, the isolated nanoenvironment in a protein cage allows reconstruction and detailed analysis of multiple clustering residues for elucidating the mechanisms of various biomolecular interactions in nature which can be applied to design of bionanomaterials.
Materials for Controlled Release of Local Anesthetics
Authors: Li Yang , Owens Gwen E. , Kohane Daniel S. 
Published: April 2023

AbstractControlled release systems for prolonged duration local anesthesia have long been an area of research interest, and now are entering clinical practice, in part driven by the opioid epidemic. We discuss the design considerations and material properties of systems for controlled release of local anesthetics, from relatively simple systems to covalent binding of drugs to materials and delivery triggered by external stimuli.
Interrelated Roles of Multiple Key Structure‐Directing Agents in Seed‐Mediated Growth of Monodisperse and Multibranched Au Nanoparticles
Authors: Zhao Xingjuan , Jia Yuechen , Wallace Gregory Q. , Bazuin C. Geraldine , Masson Jean‐Francois 
Published: April 2023

AbstractDetailed mechanistic investigations of the interrelated roles of multiple key structure‐directing agents in the growth solution of Au nanoparticles (AuNPs) is required for the optimization of synthetic protocols. Here, we report a robust seed‐mediated growth strategy for synthesizing multibranched NPs (MB‐AuNPs) with monodispersed size distribution, and investigate the roles of Ag ions and 4‐(2‐hydroxyethyl)piperazine‐1‐ethanesulfonic acid (HEPES) based on an overgrowth synthesis approach. The intertwining roles of Ag+, surface‐capping stabilizers, and reducing agents were elucidated, and used to control the morphology of MB‐AuNPs. The overgrowth of MB‐AuNPs involves two distinct underlying pathways, namely, directional and anisotropic growth of Au branches on specific facets of Au seeds as well as an aggregation and growth mechanism governed by HEPES. In addition to Ag ions and HEPES, morphology tunability can also be achieved by pre‐modification of the Au seeds with molecular probes. Optimized probe‐containing MB‐AuNPs prove to be excellent surface‐enhanced Raman scattering (SERS) substrates and nanozymes. Taken together, the results of this work reveal the mechanistic evolution of nanocrystal growth which should stimulate the development of new synthetic strategies, improve the capabilities of tuning the optical, catalytic, and electronic properties of NPs, and further advance their applications in biolabeling, imaging, biosensing, and therapy.
He++N2 Charge Transfer Reaction: An Ab initio Analysis
Authors: Reja Deboki , Kumar Sanjay 
Published: April 2023

AbstractAn ab initio analysis on the involved potential energy surfaces is presented for the investigation of the charge transfer mechanism for the He++N2 system. At high collision energy, as many as seven low‐lying electronic states are observed to be involved in the charge transfer mechanism. Potential energy surfaces for these low‐lying electronic states have been computed in the Jacobi scattering coordinates, applying multireference configuration interaction level of theory and aug‐cc‐pVQZ basis sets. Asymptotes for the ground and various excited states are assigned to mark the entrance (He++N2) and charge transfer channels (He+N2+). Nonadiabatic coupling matrix elements and quasi‐diabatic potential energy surfaces have been computed for all seven states to rationalize the available experimental data on the charge transfer processes and to facilitate dynamics studies.
Second Harmonic Generation Signatures of Supramolecular Assemblies Based on Amide Moieties
Authors: Ramos Tárcius N. , Le Bras Laura , Dory Yves L. , Champagne Benoît 
Published: April 2023

AbstractTargeting the use of the second harmonic generation (SHG) as a bioimaging technique to unravel the formation of aggregates, the SHG first hyperpolarizabilities (
) of assemblies of benzene‐1,3,5‐tricarboxamide derivatives have been evaluated at the density functional theory level. Calculations have revealed that i) the assemblies exhibit SHG responses and the total first hyperpolarizability responses of the aggregates are evolving with their size. The largest aggregation effect is a 18‐times increase for
of B4 when going from the monomer to the pentamer, that ii) the intrinsic SHG responses described by the hyper‐Rayleigh Scattering
are enhanced in presence of iodine atoms on the phenyl core, that iii) the side chains affect the relative orientation of the dipole moment and first hyperpolarizability vectors, which impacts more the EFISHG quantities than their moduli, and that iv) the radial component to
is dominant for the compounds having the largest responses. These results have been obtained using the sequential molecular dynamics then quantum mechanics approach to account for dynamic structural effects on the SHG responses.
Supramolecular Luminescent Nano‐assemblies Based on Macrocycles and Amphiphiles for Cell Imaging
Authors: Qian Nina , Hou Xiao‐Fang , Tang Yuqi , Zhang Shu , Chen Xu‐Man , Li Quan 
Published: April 2023

AbstractSupramolecular luminescent nano‐assemblies for cell imaging have recently attracted increasing interest, not only because of their outstanding photophysical properties, but also because of their easy fabrication through supramolecular strategies, good biocompatibility, high stability to photo‐ and micro‐environments in cells, and facile combination of imaging and synergistic therapy for cancers. Luminescence‐based bioimaging has great advantages, such as high sensitivity, being non‐invasive, and functioning in real‐time, leading to its wide application in many fields, including disease research, drug research, cell markers, gene expression, gene function studies, and protein interaction. In this Review, recent progress in the application of macrocycle‐mediated (e.g., cyclodextrins, cucurbiturils, calixarenes, and pillar[n]arenes) and functionalized amphiphilic molecule‐based supramolecular luminescent nanoparticles in cell imaging, especially targeted cell imaging of specific organelles, is reviewed. The combination of imaging with drug delivery, gene delivery, and photodynamic therapy is also introduced.
Comparison of the impact of two types of removable partial dentures on the periodontal health of the remaining teeth: A prospective clinical study
Authors: Bukleta Manushaqe S. , Selmani Mimoza , Bukleta Dashnor 
Published: April 2023

AbstractObjectiveTo evaluate and compare the impact of two removable partial dentures (acrylic removable partial denture [ARPD] and metallic removable partial denture [MRPD]) on periodontal tissues of the remaining teeth in the first 12 months of denture use.Materials and MethodsThis prospective clinical study included 40 patients, of which 20 received ARPDs, 20 received MRPDs, nine in the maxilla, and 11 in the mandible each. The patients were 45–65 years old; 24 were females, and 16 were males. Patients’ demographic details, clinical indicators of periodontal complications, and biochemical measurement of Hs‐C‐reactive protein (CRP) and alkaline phosphatase (ALP) were considered. One‐way analysis of covariance and Friedman were used to measure the differences in clinical periodontal parameters between the two types of dentures.ResultsThe significant findings were: Plaque index (PLAQ) scores for abutment teeth were higher in MRPD wearers (mean = 12.15) than ARPD wearers (mean = 10.45), whereas ARPD users had significantly higher mean bleeding on probing (BOP) values (mean = 1.5) than MRPD users (mean = 0.00); mobility of abutment teeth showed no significant differences; timeline comparisons showed a significant increase in the percentage of nonabutment teeth mobility in ARPD users (p = .028) compared with MRPD users over the same follow‐up period (p = .102).ConclusionsFor a short‐term period of 1 year, periodontal and mobility parameters have no significant impact on the abutment and nonabutment teeth of ARPD and MRPD users. Moreover, biochemical markers (CRP and ALP) for periodontal inflammation exhibited no significant difference in both types of dentures.
How eco‐control systems enhance carbon performance via low‐carbon supply chain collaboration? The moderating role of organizational unlearning
Authors: Wei Shuochen , Wang Lifang , Jiang Wenbo , Feng Liwei , Feng Taiwen 
Published: April 2023

AbstractDespite the increasing awareness of eco‐control systems (ECS), whether and how a firm's deployment of ECS affect carbon performance is not known. Drawing on organizational learning theory, this study investigates how a firm's implementation of ECS enhances carbon performance via low‐carbon supply chain collaboration, and examines the moderating effect of organizational unlearning. To verify these hypotheses, we conduct hierarchical regression analyses using survey data from 297 Chinese manufacturers. Our results indicate that both supplier and customer low‐carbon collaborations mediate the impact of ECS on carbon performance. In addition, organizational unlearning strengthens the impact of ECS on customer low‐carbon collaboration, but weakens the impact of ECS on supplier low‐carbon collaboration. This study extends the digital transition and sustainability literature by unpacking the “black box” of transforming ECS into carbon performance and considering the contingency role of organizational unlearning. Our findings provide managers with new digital technologies to improve low‐carbon supply chain management and guide governments to appropriately extend policies that accelerate the manufacturing industry's transition to sustainability.
O‐GlcNAcylated LARP1 positively regulated by circCLNS1A facilitates hepatoblastoma progression through DKK4/β‐catenin signalling
Authors: Cui Zhongqi , He Jiangtu , Zhu Jiabei , Ni Wenxuan , Liu Li , Bian Zhixuan , Mao Siwei , Gu Song , Shan Yuhua , Chu Zhexuan , Wu Qi , Lu Jiayi , Liu Ya , Sun Fenyong , Pan Qiuhui , Zhang Yue , Huang Nan , Ma Ji 
Published: April 2023

AbstractBackgroundAccumulating studies have shown that La‐related protein 1 (LARP1) is involved in the occurrence and development of various tumours. However, the expression pattern and biological role of LARP1 in hepatoblastoma (HB) remain unclear so far.MethodsLARP1 expression level in HB and adjacent normal liver tissues was analysed by qRT‐PCR, Western blotting and immunohistochemistry assays. The prognostic significance of LARP1 was evaluated by Kaplan–Meier method and multivariate Cox regression analysis. In vitro and in vivo functional assays were implemented to clarify the biological effects of LARP1 on HB cells. Mechanistically, the regulatory roles of O‐GlcNAcylation and circCLNS1A in LARP1 expression were investigated by co‐immunoprecipitation (co‐IP), immunofluorescence, RNA immunoprecipitation (RIP), RNA pull‐down and protein stability assays. Moreover, RNA‐sequencing, co‐IP, RIP, mRNA stability and poly(A)‐tail length assays were performed to investigate the association between LARP1 and DKK4. The expression and diagnostic significance of plasma DKK4 protein in multi‐centre cohorts were evaluated by ELISA and ROC curves.ResultsLARP1 mRNA and protein levels were remarkably elevated in HB tissues and associated with worse prognosis of HB patients. LARP1 knockdown abolished cell proliferation, triggered cell apoptosis in vitro as well as prohibited tumour growth in vivo, whereas LARP1 overexpression incited HB progression. Mechanistically, O‐GlcNAcylation of LARP1 Ser672 by O‐GlcNAc transferase strengthened its binding to circCLNS1A and then protected LARP1 from TRIM‐25‐mediated ubiquitination and proteolysis. LARP1 upregulation subsequently led to DKK4 mRNA stabilisation by competitively interacting with PABPC1 to prevent DKK4 mRNA from B‐cell translocation gene 2‐dependent deadenylation and degradation, thus facilitating β‐catenin protein expression and nuclear import.ConclusionThis study indicates that upregulated protein level of O‐GlcNAcylated LARP1 mediated by circCLNS1A promotes the tumorigenesis and progression of HB through LARP1/DKK4/β‐catenin axis. Hence, LARP1 and DKK4 are promising therapeutical target and diagnostic/prognostic plasma biomarker for HB.
Diaryl ether derivative inhibits GPX4 expression levels to induce ferroptosis in thyroid cancer cells
Authors: Pamarthy Deepika , Behera Santosh Kumar , Swain Sonam , Yadav Sanjay , Suresh Surisetti , Jain Nishant , Bhadra Manika Pal 
Published: April 2023

AbstractPapillary thyroid carcinoma contributes to about 80% of the total thyroid cancer cases. BRAFV600E is a frequently occurring mutation in PTCs. Although several BRAF inhibitors are available, many thyroid cancer patients acquire resistance to BRAF inhibitors. Therefore, new targets and drugs need to be identified as therapies. Ferroptosis is a recently discovered type of cell death, and inhibiting glutathione peroxidase 4 (GPX4) using small molecules was found to trigger ferroptosis. But it is unknown whether inhibiting GPX4 renders thyroid cancer cells susceptible to ferroptosis. To identify novel GPX4 inhibitors, we focused on our previously reported cohort of diaryl ether and dibenzoxepine molecules. In this study, we asked whether diaryl ether and dibenzoxepine derivatives trigger ferroptosis in thyroid cancer cells. To answer this question, we screened diaryl ether and dibenzoxepine derivatives in cell‐based assays and performed mechanism of action studies. We found that a diaryl ether derivative, 16 decreased thyroid cell proliferation and triggered ferroptosis by inhibiting GPX4 expression levels. Molecular modeling and dynamics simulations showed that 16 binds to the active site of GPX4. Upon deciphering the mode of 16‐induced ferroptosis, we found that 16 treatments decrease mitochondrial polarization and reduce mitochondrial respiration similar to a ferroptosis inducer, RSL3. We conclude that the diaryl ether derivative, 16 inhibits GPX4 expression levels to induce ferroptosis in thyroid cancer cells. Based on our observations, we suggest that 16 can be lead‐optimized and developed as a ferroptosis‐inducing agent to treat thyroid cancers.
Berberine targets KIF20A and CCNE2 to inhibit the progression of nonsmall cell lung cancer via the PI3K/AKT pathway
Authors: Wang Qi , Wu Hua , Wu Qingquan , Zhong Sheng 
Published: April 2023

AbstractBackgroundNonsmall cell lung cancer (NSCLC) is the main type of lung cancer, accounting for approximately 85%. Berberine (BBR), a commonly used traditional Chinese medicine, has been reported to exhibit a potential antitumor effect in various cancers. In this research, we explored the function of BBR and its underlying mechanisms in the development of NSCLC.MethodsCell Counting Kit‐8 (CCK‐8), 5‐ethynyl‐20‐deoxyuridine (EdU), colony formation assays, flow cytometry, and transwell invasion assay were employed to determine cell growth, the apoptotic rate, cell invasion of NSCLC cells, respectively. Western blot was applied for detecting the protein expression of c‐Myc, matrix metalloprotease 9 (MMP9), kinesin family member 20A (KIF20A), cyclin E2 (CCNE2), and phosphatidylinositol‐3‐kinase/protein kinase B (PI3K/AKT) pathway‐related proteins. Glycolysis was evaluated by detecting glucose consumption, lactate production, and adenosine triphosphate/adenosine diphosphate (ATP/ADP) ratio with the matched kits. Real‐time quantitative polymerase chain reaction (RT‐qPCR) was conducted to analyze the level of KIF20A and CCNE2. Tumor model was established to evaluate the function of BBR on tumor growth in NSCLC in vivo. In addition, immunohistochemistry assay was employed to detect the level of KIF20A, CCNE2, c‐Myc, and MMP9 in mice tissues.ResultsBBR exhibited suppressive effects on the progression of NSCLC, as evidenced by inhibiting cell growth, invasion, glycolysis, and facilitating cell apoptosis in H1299 and A549 cells. KIF20A and CCNE2 were upregulated in NSCLC tissues and cells. Moreover, BBR treatment significantly decreased the expression of KIF20A and CCNE2. KIF20A or CCNE2 downregulation could repress cell proliferation, invasion, glycolysis, and induce cell apoptosis in both H1299 and A549 cells. The inhibition effects of BBR treatment on cell proliferation, invasion, glycolysis, and promotion effect on cell apoptosis were rescued by KIF20A or CCNE2 overexpression in NSCLC cells. The inactivation of PI3K/AKT pathway caused by BBR treatment in H1299 and A549 cells was restored by KIF20A or CCNE2 upregulation. In vivo experiments also demonstrated that BBR treatment could repress tumor growth by regulating KIF20A and CCNE2 and inactivating the PI3K/AKT pathway.ConclusionBBR treatment showed the suppressive impact on the progression of NSCLC by targeting KIF20A and CCNE2, thereby inhibiting the activation of the PI3K/AKT pathway.
Lateral variations in the signature of earthquake‐generated deposits in Lake Iznik, NW Turkey
Authors: Gastineau R. , Sabatier P. , Fabbri S. C. , Anselmetti F. S. , Roeser P. , Findling N. , Şahin M. , Gündüz S. , Arnaud F. , Franz S. O. , Ünsal N. D. , de Sigoyer J. 
Published: April 2023

AbstractUsing lake‐sediment cores to document past seismicity requires a comprehensive understanding of possible lateral variations in depositional processes. This study aims to reveal the lateral variations in earthquake‐induced event deposits throughout Lake Iznik, a large lake located on the middle strand of the North Anatolian Fault. Based on stratigraphic, sedimentological and geochemical analyses of 14 sediment cores from two subbasins across the lake, five different types of event deposits (T1–T5) were identified and characterised. One event deposit type (T5) is restricted to a delta mouth, characterised by the occurrence of authigenic Fe‐Mn carbonates and interpreted to result from flood events. The four other types of event deposits are characterised by their synchronicity between cores and their age consistency with historical earthquakes and are interpreted to be likely generated by earthquakes. The locally prominent 1065 CE historical earthquake that ruptured the sub‐lacustrine Iznik Fault produced at least three different types of event deposits. One deposit type (T2) is only observed for this very local earthquake, implying that the type of event deposit might also depend on ground‐motion parameters. At the lake scale, the occurrence of various event deposits depends on the flow distance from the source of sediment destabilisations to the coring site.
Revalidation and expanded description ofMustela aistoodonnivalis(Mustelidae: Carnivora) based on a multigene phylogeny and morphology
Authors: Liu Yingxun , Pu Yingting , Chen Shunde , Wang Xuming , Murphy Robert W. , Wang Xin , Liao Rui , Tang Keyi , Yue Bisong , Liu Shaoying 
Published: April 2023

AbstractThe lacked‐teeth pygmy weasel,Mustela aistoodonnivalisWu & Kao, 1991, was originally described as being from Taibai Mountain and Zhashui county, Shaanxi, China. Subsequently, it was considered a subspecies or synonym ofMustela nivalis. In a faunal survey of northwestern Sichuan, eight specimens ofM. aistoodonnivaliswere collected. A molecular phylogenetic analysis of one mitochondrial and six nuclear genes clustered the specimens as a distinct clade and not withM. nivalis. Morphologically, the lack of the second lower molar differentiated them fromM. nivalis, and genetic distances were typical of discrete species. These analyses confirmed thatM. aistoodonnivalisis an independent species in the genusMustela.
Elevation and phylogeny shape herbaceous seed dormancy in a biodiversity hotspot of southwest China
Authors: Chen Kai , Chen Zi‐Hong , Huang Yuan‐Yuan , Jiang Zhong‐Hua 
Published: April 2023

AbstractSeed dormancy contributes greatly to successful establishment and community stability and shows large variation over a continuous status scale in mountain ecosystems. Although empirical studies have shown that seed dormancy status (SDS) is shaped by elevation and phylogenetic history in mountain ecosystems, few studies have quantified their combined effects on SDS. Here, we collected mature seeds from 51 populations of 11 Impatiens species (Balsaminaceae) along an elevational gradient in the Gaoligong Mountains of southwest China and estimated SDS using mean dormancy percentage of fresh seeds germinated at three constant temperatures (15, 20, and 25°C). We downloaded 19 bioclimatic variables from WorldClim v.2.1 for each Impatiens population and used internal transcribed spacer (ITS), atpB‐rbcL, and trnL‐F molecular sequences from the GenBank nucleotide database to construct a phylogenetic tree of the 11 species of Impatiens. Logistic regression model analysis was performed to quantify the effects of phylogeny and environment on SDS. Results identified a significant phylogenetic SDS signal in the Impatiens species. Furthermore, elevation and phylogeny accounted for 63.629% of the total variation in SDS among the Impatiens populations. The best logistic model indicated that temperature was the main factor influencing variation in SDS among the Impatiens species, and model residuals were significantly correlated with phylogeny, but not with elevation. Our results indicated that seed dormancy is phylogenetically conserved, and climate drives elevational patterns of SDS variation in mountain ecosystems. This study provides new insights into the response of seed plant diversity to climate change.
A global meta‐analysis reveals contrasting impacts of air, light, and noise pollution on pollination
Authors: Guenat Solène , Dallimer Martin 
Published: April 2023

AbstractIn the face of biodiversity decline, understanding the impact of anthropogenic disturbances on ecosystem functions is critical for mitigation. Elevated levels of pollution are a major threat to biodiversity, yet there is no synthesis of their impact on many of the major ecosystem functions, including pollination. This ecosystem function is both particularly vulnerable as it depends on the fine‐tuned interaction between plants and pollinators and hugely important as it underpins the flora of most habitats as well as food production. Here, we untangle the impact of air, light, and noise pollution on the pollination system by systematically evaluating and synthesizing the published evidence via a meta‐analysis. We identified 58 peer‐reviewed articles from three databases. Mixed‐effects meta‐regression models indicated that air pollution negatively impacts pollination. However, there was no effect of light pollution, despite previous studies that concentrated solely on pollinators suggesting a negative impact. Evidence for noise pollution was extremely limited. Unless action is taken to tackle air pollution, the capacity to support well‐functioning diverse pollination systems will be compromised, with negative consequences for habitat conservation and food security.