bluuebunny/crossref_metadata_2025_split huggingface dataset:
On the Architecture of Starch Granules Revealed by Iodine Binding and Lintnerization. Part 2: Molecular Structure of Lintnerized Starches
Authors: Bertoft Eric , Annor George , Vamadevan Varatharajan , Lin Amy Hui‐Mei 
Published: October 2024

ABSTRACTThis investigation validated iodine binding in combination with lintnerization for studying the structural nature of the amorphous areas in starch granules. Lintners of four iodine vapor‐stained and non‐stained amylose‐containing starches and their waxy counterparts were analyzed by high‐performance anion‐exchange chromatography (HPAEC). The composition of the lintners was strongly affected by the absence of amylose in barley and potato starch but not in maize and cassava starch. Iodine‐stained waxy lintners possessed increased number of long B2 chains. β‐Limit dextrins of the lintners were very variable in composition. Iodine inclusion complexes washed out from the granular residues in the lintners (mostly from amylose‐containing barley and maize starches) were also analyzed. Acid‐soluble complexes from both amylose‐containing and waxy starches possessed a lot of material with a degree of polymerization (DP) around 60 and a periodicity in size of DP 8–12. Such long chains were only minor components in water‐soluble complexes of amylose‐containing barley and maize starch lintners, and they lacked the size periodicity. Models of the principal structure of the acid and water‐soluble complexes are suggested. It is concluded that acid hydrolysis of iodine‐stained starch granules is a useful tool in structural analyses of the molecular composition of amorphous parts of starch granules.
Application and progress of 3D tumor models in breast cancer
Authors: Xu Jiaojiao , Fang Wanxia , Zhou Huanhuan , Jiang Ruiyuan , Chen Zhanhong , Wang Xiaojia 
Published: October 2024

AbstractDue to its high heterogeneity and significant impact on women's health globally, breast cancer necessitates robust preclinical models to understand tumor biology and guide personalized treatment strategies. Three‐dimensional (3D) in vitro tumor models hold immense promise in this regard. These tumor models not only mimic the spatial structure and growth environment of tumors in vivo, but also retain the pathological and genetic characteristics of solid tumors. This fidelity makes them powerful tools for accelerating advancements in fundamental research and translational medicine. The diversity, modularity, and efficacy of 3D tumor models are driving a biotechnological revolution. As these technologies become increasingly sophisticated, 3D tumor models are poised to become powerful weapons in the fight against breast cancer. This article expounds on the progress made in utilizing 3D tumor models for breast cancer research.
Parallel Mediating Effects of Sleep Quality, Psychological Distress, and Self‐Stigma in the Associations Between Long COVID Symptoms and Quality of Life Among Taiwanese Individuals With Mental Health Illness
Authors: Chang Kun‐Chia , Ahorsu Daniel Kwasi , Tsai Hsin‐Chi , Strong Carol , Ko Nai‐Ying , Chen Jung‐Sheng , Yen Cheng‐Fang , Üztemur Servet , Griffiths Mark D. , Lin Chung‐Ying 
Published: October 2024

ABSTRACTBackgroundLong COVID symptoms (i.e., experiencing symptoms of COVID‐19 for 3 months post‐COVID‐19) affect individuals’ health and their quality of life (QoL). However, the pathways through which it does so are not fully known.AimThe present study examined the mediating roles of sleep quality, psychological distress, and self‐stigma in the associations between long COVID symptoms and QoL among individuals with mental illness.MethodIndividuals with mental illness (n = 333) were recruited from a psychiatric center in southern Taiwan to participate in the study. Data were collected regarding sleep quality, psychological distress, self‐stigma, and QoL. Independent t‐tests, Pearson correlations, and regression with Hayes’ Process Macro were used to compare groups, examine relationships, and parallel mediation models, respectively.ResultsParticipants with long COVID symptoms had significantly worse sleep quality, psychological distress, physical QoL, and psychological QoL compared to those without symptoms. There were significant relationships between sleep quality, psychological distress, self‐stigma, and QoL. Sleep quality significantly mediated the associations between long COVID symptoms and physical and social QoL. Psychological distress significantly mediated the associations between long COVID symptoms and all domains of QoL, but not self‐stigma.ConclusionThere are alternative pathways (e.g., sleep quality and psychological distress) through which long COVID symptoms may affect the QoL of individuals with mental illness. The findings suggest that individuals with long COVID symptoms have a higher chance of having poor QoL. Therefore, there may be the need for counseling and possible therapy for those who contract COVID‐19, especially among individuals who already have mental illness.
Targeting the LMP1‐ALIX axis in EBV+ nasopharyngeal carcinoma inhibits immunosuppressive small extracellular vesicle secretion and boosts anti‐tumor immunity
Authors: He Fajian , Gong Yan , Tao Gan , Zhang Jianguo , Wu Qiuji , Tan Yushuang , Cheng Yajie , Wang Chunsheng , Yang Jinru , Han Linzhi , Wang Zhihao , Gao Yanping , He Jingyi , Bai Rui , Sun Peikai , Yu Xiaoyan , Zhou Yajuan , Xie Conghua 
Published: October 2024

AbstractBackgroundImmunotherapy has revolutionized the therapeutical regimen for nasopharyngeal carcinoma (NPC), yet its response rate remains insufficient. Programmed death‐ligand 1 (PD‐L1) on small extracellular vesicles (sEVs) mediates local and peripheral immunosuppression in tumors, and the mechanism of PD‐L1 loading into these vesicles is garnering increasing attention. Latent membrane protein 1 (LMP1), a key viral oncoprotein expressed in Epstein‐Barr virus (EBV)‐positive NPC, contributes to remodeling the tumor microenvironment. However, the precise mechanisms by which LMP1 modulates tumor immunity in NPC remain unclear. Here, we aimed to investigate the roles and regulatory mechanisms of LMP1 and sEV PD‐L1 in NPC immune evasion.MethodsWe analyzed the impact of LMP1 on tumor‐infiltrating lymphocyte abundance in NPC tissues and humanized tumor‐bearing mouse models using multiplex immunofluorescence (mIF) and flow cytometry, respectively. Transmission electron microscopy and nanoparticle tracking analysis were employed to characterize sEVs. Immunoprecipitation‐mass spectrometry was utilized to identify proteins interacting with LMP1. The regulatory effects of sEVs on tumor microenvironment were assessed by monitoring CD8+ T cell proliferation and interferon‐γ (IFN‐γ) expression via flow cytometry. Furthermore, the expression patterns of LMP1 and downstream regulators in NPC were analyzed using mIF and survival analysis.ResultsHigh LMP1 expression in NPC patient specimens and mouse models was associated with restricted infiltration of CD8+ T cells. Additionally, LMP1 promoted sEV PD‐L1 secretion, leading to inhibition of CD8+ T cell viability and IFN‐γ expression in vitro. Mechanistically, LMP1 recruited apoptosis‐linked gene 2‐interacting protein X (ALIX) through its intracellular domain and bound PD‐L1 through its transmembrane domain, thereby facilitating the loading of PD‐L1 into ALIX‐dependent sEVs. Disruption of ALIX diminished LMP1‐induced sEV PD‐L1 secretion and enhanced the anti‐tumor immunity of CD8+ T cells both in vitro and in vivo. Moreover, increased expression levels of LMP1 and ALIX were positively correlated with enhanced immunosuppressive features and worse prognostic outcomes in NPC patients.ConclusionOur findings uncovered the mechanism by which LMP1 interacts with ALIX and PD‐L1 to form a trimolecular complex, facilitating PD‐L1 loading into ALIX‐dependent sEV secretion pathway, ultimately inhibiting the anti‐tumor immune response in NPC. This highlights a novel target and prognostic marker for NPC immunotherapy.
Unlocking the Potential of Origanum Grosii Essential Oils: A Deep Dive into Volatile Compounds, Antioxidant, Antibacterial, and Anti‐Enzymatic Properties within Silico Insights
Authors: Balahbib Abdelaali , Aguerd Oumayma , El Omari Nasreddine , Benali Taoufiq , Akhazzane Mohamed , Ullah Riaz , Iqbal Zafar , Zhang Wei , Shahat Abdelaaty A , Zengin Gokhan , Chamkhi Imane , Bouyahya Abdelhakim 
Published: October 2024

AbstractThe present study aimed to comprehensively characterize the volatile compounds from the aerial parts of Origanum grosii and evaluate their potential as antioxidants and enzyme inhibitors through both in vitro and in silico approaches. The essential oil's volatile constituents were identified using Gas Chromatography‐Mass Spectrometry (GC‐MS) analysis, revealing carvacrol (31 %), p‐cymene (18.59 %), thymol (12.31 %), and ɣ‐terpinene (10.89 %) as the major compounds. The antioxidant capacity was measured using three distinct assays. Notably, Origanum grosii essential oil (OGEO) exhibited significant antioxidant activity, with IC50 values of 55.40±2.23, 81.65±3.26, and 98.04±3.87 μg/mL in DPPH, ABTS, and FRAP assays, respectively. The antibacterial activity was evaluated against both Gram‐positive and Gram‐negative bacterial strains, including Escherichia coli ATCC 25922, Staphylococcus aureus ATCC 29213, Pseudomonas aeruginosa IH, and Listeria monocytogenes ATCC 13932. The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) were determined using the broth microdilution method. The inhibitory effects of OGEO were also assessed against enzymes implicated in human pathologies, including α‐glucosidase, α‐amylase, tyrosinase, and acetylcholinesterase (AChE). OGEO demonstrated notable inhibitory activity with IC50 values of 49.72±1.64, 60.28±2.13, 97.14±5.15, and 119.42±2.97 μg/mL against elastase, α‐glucosidase, tyrosinase, and α‐amylase, respectively. Additionally, OGEO exhibited anti‐AChE and anti‐BChE effects, with values of 7.49±0.83 and 1.91±0.77 mg GALAE/g, respectively. The MIC values were 0.125 μg/mL for E. coli, P. aeruginosa, and S. aureus, and 0.25 μg/mL for L. monocytogenes, while MBC values ranged from 0.25 to 0.5 μg/mL. Compared to chloramphenicol (MIC: 8–16 μg/mL, MBC: 32–64 μg/mL), OGEO showed significantly stronger antibacterial effects. In silico analysis further supported the strong binding affinities of the major compounds to the target enzymes. Overall, OGEO shows promise as a natural agent with potential applications in the food, pharmaceutical, and cosmetic industries.
Development and In Vitro Characterization of Azadirachta Indica Gum Grafted Polyacrylamide Based pH‐Sensitive Hydrogels to Improve the Bioavailability of Lansoprazole
Authors: Abid Mustafa Muhammad , Rashid Hussain Hafiz , Akbar Khan Jawad , Ahmad Nadeem , Bashir Sajid , Asad Muhammad , Saeed Shah Hamid , Ali Khan Azmat , Malik Abdul , Fatima Sabiha , Mehmood Yousaf Abid , Nazir Imran 
Published: October 2024

AbstractThe present study intended to develop a pH‐responsive hydrogel based on Neem gum (Ng) to improve Lansoprazole (LSP) oral bioavailability. Azadirachta Indica seed extract was used to obtain Ng. pH‐responsive hydrogel formulations (F1–F9) were prepared using different Ng ratios, Acrylamide (AAm), and methylene‐bis‐acrylamide (MBA). The formulated hydrogels were characterized through FTIR, thermal analysis, swelling ratio, SEM, sol‐gel ratios, In‐Vitro drug release, and cytotoxicity analysis. Azadirachta Indica was extracted to produce a powder containing 21.5 % Ng. Prepared hydrogels showed maximum swelling at pH 7.4, whereas the swelling at an acidic pH was insignificant. LSP‐loaded hydrogel demonstrated a regulated release of LSP for up to 24 h and indicated a Super Case II transport release mechanism. During the cytotoxic evaluation, the delivery system showed minimal cytotoxicity towards normal cells, while percent cytotoxicity was carried out for a longer duration (up to 96 h). The present study revealed Azadirachta indica gum‐based pH‐responsive hydrogel as a promising technique for precisely delivering LSP.
Unveiling the Biological Activities, Pharmacological Potential, and Health Benefits of Sorbifolin: A Comprehensive Review
Authors: Belmehdi Omar , Mssillou Ibrahim , Khalid Asaad , Abdalla Ashraf N. , Almalki Manal , Alqurashi Roaya S. , Bakrim Saad , Zengin Gokhan , Hing Goh Bey , Bouyahya Abdelhakim 
Published: October 2024

AbstractBioactive phytochemicals act as important factors with preventive and therapeutic potential in the pathogenesis of several disorders, often related to oxidative stress. Many dietary plant secondary metabolites could lower these conditions. Sorbifolin is one of these metabolites. This work is the first review of sorbifolin, a flavone detected in various plant matrices as a major compound. The present study discussed the natural sources, extraction, purification, quantification, and assessment of the biological activities of sorbifolin. Several databases including Google Scholar, Web of Sciences, and Science‐Direct were consulted for relevant English articles related to sorbifolin, the phytochemical profiles of several medicinal plants containing this compound, and its biological activities, such as antioxidant, anticancer, antimicrobial, anti‐inflammatory, and antidiabetic. The positive in vitro and in silico outcomes reported in the literature should be followed by additional in vivo and clinical investigations to further research the mechanisms of action, pharmacokinetic/pharmacodynamic activities, toxicological effects, pharmacological properties, and therapeutic potential of sorbifolin.
Psychopathy checklist‐youth version scores and recurring victimisation by an intimate partner in a justice‐involved sample: A comparison of young men and women using longitudinal data
Authors: Harris Michelle N. , Daigle Leah E. , Reidy Dennis , Chafin Travis , Thomson Nick D. 
Published: October 2024

AbstractBackgroundPeople involved in the criminal justice system are at increased risk of recurring intimate partner violent (IPV) victimisation. Experience of trauma is linked to a variety of negative outcomes, including repeated experiences, so it is important to identify factors that may distinguish non‐victims, single‐event victims and recurring victims at an early stage as this could hold potential for intervention efforts. Research studies have identified individual‐level risk factors for IPV victimisation but have not investigated psychopathy traits or sex differences.AimsTo examine sex differences in psychopathy scores and later IPV victimisation.MethodsUsing the Pathways to Desistance study, a longitudinal study of 1354 adjudicated adolescent offenders, relationships between psychopathy checklist‐youth version (PCL‐YV) scores measured during the baseline wave, independent/control variables in wave 6 and self‐reported IPV victimisation in wave 7 were explored using multinomial regression models.ResultsAmong justice‐involved young adults (average age 19), PCL‐YV scores differentiated between non‐victims, single‐event victims and recurring victims. Higher total scores and higher ratings on the antisocial behaviours facet of psychopathy significantly increased the relative risk of recurring victimisation by an intimate partner overall, and specifically of emotional or physical intimate partner violence. For the young women but not the young men, a higher scoring on the interpersonal manipulation facet of psychopathy specifically increased the relative risk of being a recurring victim of any intimate partner violence.ConclusionsSex‐specific differences in relationships between high PVL‐YV scores and recurring IPV victimisation can be used to screen for risk of repeated trauma for justice‐involved young adults, which may change a trajectory of continued involvement in the criminal justice system to a trajectory of resilience and recovery.
Unveiling the Ultrafast Excitation Energy Transfer in Tetraarylpyrrolo[3,2‐b]pyrrole‐BODIPY Dyads
Authors: Gorai Sudip , Agrawal Richa , Ghosh Rajib , Mula Soumyaditya 
Published: October 2024

AbstractWe have synthesized two dyads (dyad 1 and 2) comprising of tetraarylpyrrolo[3,2‐b]pyrrole (TAPP) and BODIPY. In dyad 1, two BODIPYs are directly connected with TAPP moiety whereas in dyad 2, BODIPYs are connected through phenylethynyl linkers. TAPP is a blue energy donor which is easy to synthesize and functionalize as compared to other well‐known blue energy donors like pyrene, perylene etc. This is the first report of using TAPP as an energy donor in BODIPY based dyad molecules. Complete quenching of TAPP fluorescence in the dyads suggests fast energy transfer from TAPP to BODIPY unit (ETE~99.9 %). Ultrafast fluorescence and transient absorption spectroscopic studies of dyad 1 showed TAPP to BODIPY energy transfer in 125 fs (kET=8.0×1012 s−1) which is one of the fastest energy transfer events in BODIPY based dyad reported so far. Whereas, in dyad 2, energy transfer is almost four times slower (480 fs, kET=2.1×1012 s−1). These results were rationalized by theoretical Förster formulations. This study shows that suitably matched optical properties of TAPP and BODIPY dyes along with their easy syntheses will be the key to develop highly efficient energy transfer systems in future for multiple applications.
Reactivity of Polynuclear Niobium Oxynitride Cluster Anions Nb4N5‐xOx− (x=0–5) toward N2
Authors: Liu Xiao‐Xiao , Li Zi‐Yu , Liu Qing‐Yu , Zhao Xi‐Guan , Li Qian , He Sheng‐Gui 
Published: October 2024

AbstractThe activation of N₂ under mild conditions remains a significant challenge in chemistry. Understanding how the composition of ligands modulates the reactivity of metal centers is pivotal for the rational design of efficient catalysts for nitrogen fixation. Herein, the reactions between polynuclear niobium oxynitride anions Nb4N5‐xOx− (x=0–5) and N2 were investigated by employing mass spectrometry, photoelectron imaging spectroscopy, and theoretical calculations. The rate constants of Nb4N5‐xOx−/N2 gradually decrease for x=0 to x=4, and then increase again for x=5. The sharp increase of the rate constants of Nb4O5−/N2 corresponds to a decrease in the electron detachment energy of the Nb4O5− cluster in the photoelectron spectroscopic experiments. Theoretical calculations suggest that the low‐coordinated Nb−Nb sites in Nb4N5‐xOx− (x=0–5) behaves as the active centers to bind N2 in the side‐on/end‐on manner. Mechanistic analysis reveals that reducing the N/O ratio leads to higher electron densities on the active Nb−Nb centers and decreased positive charge on the metal atoms, which hinders the approach of N2 to the clusters. This finding discloses fundamental insights into the impact of N/O ratio in fine‐tuning the reactivity of metal centers toward N2 adsorption in related catalytic processes.
Photooxidation of Toluene Derivatives under HAT and ROS Synergy
Authors: Ma Wen‐Li , Liu Jian‐Yue , Niu Kai‐Kai , Cui Jing , Zhang Rong‐Zhen , Dong Rui‐Zhi , Liu Hui , Xing Ling‐Bao 
Published: October 2024

AbstractThe valorization of toluene offers a dual solution by addressing its environmental impact while also facilitating the synthesis of a diverse array of valuable fine chemicals and pharmaceutical intermediates, thus ensuring both ecological sustainability and economic viability. We report herein a synergistic approach that harmonizes hydrogen atom transfer (HAT) process with the generation of reactive oxygen species (ROS) under mild condition and low catalyst loading, which enables the efficient synthesis of a broad spectrum of esteemed benzoic acid derivatives and aryl ketones through the photocatalytic oxidation of toluene derivatives. Mechanistic elucidation reveals that the HAT reagent anthraquinone has both the capabilities to abstract hydrogen atoms and the ability to generate singlet oxygen (1O2) during energy transfer with triplet oxygen (3O2), and the combination of these two potencies significantly improves the catalytic efficiency of the reaction. This study not only introduces the amalgamation of HAT with ROS generation but also delineates a systematic approach for the selection of HAT reagents with energy transfer proficiency for ROS generation in catalytic oxidation reactions.
Heterojunction Organic Solar Cells with Efficient Charge Mobility and Separation Capabilities Studied by DFT
Authors: Huang Yuqiang , Zhang Kaiyan , Song Peng , Ma Fengcai , Li Yuanzuo 
Published: October 2024

AbstractThe properties of the active layer materials play a decisive role in determining the power conversion efficiency of organic solar cells (OSCs). Chlorophyll and its derivatives are abundant and environmentally friendly functional organic molecular materials. Using density functional theory (DFT) and time‐dependent density functional theory (TD‐DFT), we have calculated the absorption spectra and their excited state properties based on optimized ground state structures. It was found that bacteriochlorin exhibits superior structural properties, a smaller energy gap and hole reorganization energy, redshifted absorption spectra, and higher hole mobility compared to the donor D18. This suggests that bacteriochlorin exhibits superior donor properties. Comparative studies between o‐AT‐2Cl and m‐AT‐2Cl showed that o‐AT‐2Cl had superior acceptor properties, implying that differences in substitution positions can influence the physicochemical properties of non‐fullerene acceptors (NFAs). Subsequently, six bulk heterojunctions (BHJs) were constructed by combining three donors with nonfused ring electron acceptors, o‐AT‐2Cl and m‐AT‐2Cl. The bacteriochlorin‐based BHJs performed well among them, with BChl3/o‐AT‐2Cl and BChl4/o‐AT‐2Cl having the largest interfacial charge separation rate. The results suggested that BHJs composed of bacteriochlorin and NFAs can improve OSCs’ photovoltaic performance, providing a feasible scheme for designing efficient OSCs.
Thieno[3,2‐b]thiophene Incorporated Redox Active 22π and 34π Core‐Modified Expanded Isophlorinoids
Authors: Udaya Hosahalli S. , Anand Venkataramanarao G. 
Published: October 2024

AbstractIncorporation of a thieno[3,2‐b]thiophene into an isophlorinoid‐like framework alters the aromaticity by extending the macrocyclic π‐circuit. Their opto‐electronic and aromatic properties significantly differ from other 22π and 34π porphyrinoids. Among the three different 34π hexaphyrins, furan based hexaphyrin adopts a non‐aromatic ‘figure‐of‐eight’ conformation. Replacing all the furans either by thiophene or selenophene induces a planar conformation with aromatic characteristics. Spectro‐electrochemical studies revealed reversible two‐electron ring oxidation to yield their 4nπ dicationic species respectively.
Triscyanocorrole, the Newest and Most Intriguing Member of the C1‐Substituted Corrole Family
Authors: Saini Azad , Sharma Vinay K. , Fridman Natalia , Mahammed Atif , Gross Zeev 
Published: October 2024

AbstractConsidering the potential advantages of minimally sized corroles for diverse applications, this study reports a facile access to cyano‐substituted derivatives via a rare CF3/CN conversion. Investigation of the fully characterized gallium, phosphorus, and cobalt complexes discloses multiple effects of the meso‐nitrile groups attached to the macrocycle. This corrole appears to be the most electron poor derivative which comes into play in the redox potentials of the corresponding complexes. Compared to its precursor, both the absorption and emission are strongly red shifted and the fluorescence lifetime and quantum yield are much larger. The coordination chemistry is affected as well, by virtue of axial ligands being perpendicular rather than parallel relative to each other.