bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cooperativity and intermolecular hydrogen bonding in donor‐acceptor complexes of phenol and polyhydroxybenzenes
Authors: Lomas John S. , Rosenberg Robert E. 
Published: March 2023

AbstractCooperativity between intermolecular and intramolecular hydrogen bonds is an important factor determining the strength of donor‐acceptor complexes. Its impact in poly‐1,2‐diols, notably polyhydroxybenzenes, is subject to debate. Density functional theory calculations have been performed on complexes of phenol, catechol, pyrogallol and 1,2,3,4‐tetrahydroxybenzene with pyridine, trimethylamine and trimethylphosphine oxide. Binding energies, proton NMR shifts, Quantum Theory of Atoms in Molecules analysis and Interacting Quantum Atoms (IQA) interaction energies reveal a positive cooperative effect of a topological intramolecular hydrogen bond (IMHB) in catechol relative to phenol, with insignificant or small negative effects of further HO groups. Except for catechol complexes, there are no topological IMHBs in any donors or their complexes, although all show Non‐Covalent Interaction isosurfaces. The absence of a topological IMBH in catechol itself is explained by electron density contour plots. Complexes of Me3N and Me3PO with catechol, pyrogallol and 1,2,3,4‐tetrahydroxybenzene display additional intermolecular hydrogen bonds, C‐H…H‐C and C‐H…O=P, respectively, with the hydrogen atomorthoto the bound HO group. The predominantly covalent or electrostatic character of the various hydrogen bond types is discussed in terms of the IQA energy partition scheme, which is also useful for characterising IMHBs in the absence of a bond critical point. These results further our understanding of the nature and the limits of cooperative hydrogen bonding in donor‐acceptor complexes.
Hormonal and genotoxic estrogen‐androgen carcinogenesis in the NBL rat prostate: A role for aromatase
Authors: Bosland Maarten C. , Vega Katherine , Horton Lori , Schlicht Michael J. 
Published: March 2023

AbstractBackgroundAndrogens are generally thought to cause prostate cancer, but the data from animal studies suggest that they must be aromatized to estrogen and act in concert with genotoxic estrogen metabolites. The objective of this study was to determine whether treatment with testosterone (T) combined with a nonestrogenic estrogen metabolite and a nongenotoxic estrogenic compound would all be necessary and sufficient for the induction of a high incidence of prostate cancer in the susceptible NBL rat strain.MethodsNBL rats were treated with low‐dose testosterone via slow‐release Silastic implants and with the marginally estrogenic genotoxic catechol estrogen 4‐hydroxyestradiol (4OH‐E2) and the nongenotoxic estrogen 2‐fluoroestradiol (2F‐E2) and in one experiment the aromatase inhibitor letrozole via custom‐made slow‐release pellets. Animals were euthanized 52 weeks after implantation and their pituitaries and prostate complexes weighed and fixed in formalin. Hematoxylin and eosin (H&E)‐stained step sections were prepared and examined microscopically for proliferative lesions.ResultsAnimals treated with 2F‐E2, with or without the other compounds, had enlarged pituitaries demonstrating its estrogenicity. Animals treated with T, with or without the other compounds, had enlarged prostates consistent with its androgenicity. Rats treated with T plus 2F‐E2 and 4OH‐E2 developed a high incidence of prostatic cancer (89%), while, surprisingly, rats treated with T plus only 2F‐E2 also had a high incidence of prostate cancer (95%) contradicting our initial hypothesis. To test whether the formation of E2 from T by aromatase could lead to estrogen genotoxicity and prostate carcinogenesis we then rats treated with T and 2F‐E2 also with letrozole and found that it reduced prostate cancer incidence by about 50%.ConclusionsThese findings indicate that long‐term treatment with a nongenotoxic estrogen (2F‐E2) and T as well as uninhibited prostatic aromatase activity generating genotoxic E2 are all required for induction of a high incidence of prostatic adenocarcinomas in NBL rats. These and previous data indicate that androgen receptor‐mediated action, estrogen receptor mediation, and estrogen genotoxicity are all required and sufficient for hormonal carcinogenesis in the NBL rat prostate. Interference with the estrogen genotoxicity is a potential approach to prostate cancer chemoprevention.
Cell‐Derived Vesicles for Antibiotic Delivery—Understanding the Challenges of a Biogenic Carrier System
Authors: Heinrich Eilien , Hartwig Olga , Walt Christine , Kardani Arefeh , Koch Marcus , Jahromi Leila Pourtalebi , Hoppstädter Jessica , Kiemer Alexandra K. , Loretz Brigitta , Lehr Claus‐Michael , Fuhrmann Gregor 
Published: March 2023

AbstractRecently, extracellular vesicles (EVs) sparked substantial therapeutic interest, particularly due to their ability to mediate targeted transport between tissues and cells. Yet, EVs’ technological translation as therapeutics strongly depends on better biocompatibility assessments in more complex models and elementary in vitro–in vivo correlation, and comparison of mammalian versus bacterial vesicles. With this in mind, two new types of EVs derived from human B‐lymphoid cells with low immunogenicity and from non‐pathogenic myxobacteria SBSr073 are introduced here. A large‐scale isolation protocol to reduce plastic waste and cultivation space toward sustainable EV research is established. The biocompatibility of mammalian and bacterial EVs is comprehensively evaluated using cytokine release and endotoxin assays in vitro, and an in vivo zebrafish larvae model is applied. A complex three‐dimensional human cell culture model is used to understand the spatial distribution of vesicles in epithelial and immune cells and again used zebrafish larvae to study the biodistribution in vivo. Finally, vesicles are successfully loaded with the fluoroquinolone ciprofloxacin (CPX) and showed lower toxicity in zebrafish larvae than free CPX. The loaded vesicles are then tested effectively on enteropathogenic Shigella, whose infections are currently showing increasing resistance against available antibiotics.
Synergistic Functionality of Dopants and Defects in Co‐Phthalocyanine/B‐CN Z‐Scheme Photocatalysts for Promoting Photocatalytic CO2 Reduction Reactions
Authors: Khan Imran , Khan Salman , Wu Shiuan‐Yau , Chen Hsin‐Tsung , Zada Amir , Linlin Liu , Ismail Ahmed , Ali Sharafat , Raziq Fazal , Haider Mustafa , Khan Javid , Ullah Sami , Ju Shin‐pon , Wang Shiliang 
Published: March 2023

AbstractThe realization of solar‐light‐driven CO2 reduction reactions (CO2 RR) is essential for the commercial development of renewable energy modules and the reduction of global CO2 emissions. Combining experimental measurements and theoretical calculations, to introduce boron dopants and nitrogen defects in graphitic carbon nitride (g‐C3N4), sodium borohydride is simply calcined with the mixture of g‐C3N4 (CN), followed by the introduction of ultrathin Co phthalocyanine through phosphate groups. By strengthening H‐bonding interactions, the resultant CoPc/P‐BNDCN nanocomposite showed excellent photocatalytic CO2 reduction activity, releasing 197.76 and 130.32 µmol h−1 g−1 CO and CH4, respectively, and conveying an unprecedented 10‐26‐time improvement under visible‐light irradiation. The substantial tuning is performed towards the conduction and valance band locations by B‐dopants and N‐defects to modulate the band structure for significantly accelerated CO2 RR. Through the use of ultrathin metal phthalocyanine assemblies that have a lot of single‐atom sites, this work demonstrates a sustainable approach for achieving effective photocatalytic CO2 activation. More importantly, the excellent photoactivity is attributed to the fast charge separation via Z‐scheme transfer mechanism formed by the universally facile strategy of dimension‐matched ultrathin (≈4 nm) metal phthalocyanine‐assisted nanocomposites.
Zn Microbatteries Explore Ways for Integrations in Intelligent Systems
Authors: Ma Jiachen , Quhe Ruge , Zhang Wenlan , Yan Yaping , Tang Hongmei , Qu Zhe , Cheng Yapeng , Schmidt Oliver G. , Zhu Minshen 
Published: March 2023

AbstractAs intelligent microsystems develop, many revolutionary applications, such as the swallowing surgeon proposed by Richard Feynman, are about to evolve. Nonetheless, integrable energy storage satisfying the demand for autonomous operations has emerged as a major obstacle to the deployment of intelligent microsystems. A reason for the lagging development of integrable batteries is the challenge of miniaturization through microfabrication procedures. Lithium batteries, generated by the most successful battery chemistry, are not stable in the air, thus creating major manufacturing challenges. Other cations (Na+, Mg2+, Al3+, K+) are still in the early stages of development. In contrast, the superior stability of zinc batteries in the air brings high compatibility to microfabrication protocols and has already demonstrated excellent practicability in full‐sized devices. To obtain energy‐dense and high‐power zinc microbatteries within square‐millimeter or smaller footprints, sandwich, pillar, and Swiss‐roll configurations are developed. Thin interdigital and fiber microbatteries find their applications being integrated into wearable devices and electronic skin. It is foreseeable that zinc microbatteries will find their way into highly integrated microsystems unlocking their full potential for autonomous operation. This review summarizes the material development, configuration innovation, and application‐oriented integration of zinc microbatteries.
Recent progress in studies of photocages
Authors: Li Yajing , Wang Maolin , Wang Fang , Lu Sheng , Chen Xiaoqiang 
Published: March 2023

AbstractPhotocages are a class of substances containing photosensitive groups, also known as “photoremovable protecting groups”, from which target substances are released upon exposure to specific wavelengths of light. The substances released in the light‐promoted processes have chemical or biological properties that enable them to carry specifically designed functions. As a result, photocages can be utilized in various fields such as chemistry, biology, and medicine. In this paper, progress made in research carried out in recent years aimed at developing photocage molecules with different photosensitive moieties is reviewed.
Modification of Octenyl Succinic Anhydride Starch by Grafting Folic Acid and its Potential as an Oral Colonic Delivery Carrier
Authors: Gao Xiang , Du Jing , Cheng Li , Li Zhaofeng , Li Caiming , Ban Xiaofeng , Gu Zhengbiao , Hong Yan 
Published: March 2023

AbstractIn this study, an oral colonic delivery system is designed using octenyl succinic anhydride (OSA) starch grafted with folic acid (FA). OSA starch with different degrees of substitution (DS) (0.011, 0.027, and 0.039) is prepared by reacting OSA with waxy maize starch. To optimize the drug‐loading efficiency, the study choses OSA6 starch (DS = 0.027) as the substrate to prepare OSA starch grafted with FA (FA‐OSA6). Fourier transform infrared spectrum confirms the successful introduction of FA. The scanning electron micrograph indicates that the surface of the FA‐OSA starch granules is rough and uneven. Drug loading analysis shows that FA‐OSA6 starch efficiently loaded doxorubicin hydrochloride (DOX) up to 87.71%. In vitro release studies suggest that the drug‐loaded complex released only 15.8% DOX through the upper gastrointestinal tract. The cell viability assay shows that the drug‐loaded complex effectively inhibits the growth of colon cancer cells (Caco‐2). These results suggest that OSA6 starch grafted with FA has potential as an oral colonic delivery carrier for DOX.
Visualization of sacral nerve roots and sacral plexus on gynecological transvaginal ultrasound: feasibility study
Authors: Szabó G. , Madár I. , Hudelist G. , Arányi Z. , Turtóczki K. , Rigó J. , Ács N. , Lipták L. , Fancsovits V. , Bokor A. 
Published: March 2023

ABSTRACTObjectiveTo investigate the feasibility of identifying and measuring the normal sacral plexus (SP) on gynecological transvaginal ultrasound (TVS) examination.MethodsThis was a prospective observational study conducted at a single tertiary gynecological referral center, including consecutive women undergoing TVS for various indications between November 2021 and January 2022. A standardized assessment of the pelvic organs was performed and the presence of any congenital or acquired uterine pathology or ovarian abnormality was recorded. Visualization of the right and left SP was attempted in all cases. The success rate and the time needed to identify the SP were recorded and measurements of the SP were made.ResultsA total of 326 patients were included in the study. In all women, the SP was identified successfully on at least one side. SP were visualized bilaterally in 317 (97.2% (95% CI, 94.4–98.5%)) women. Only the right SP was seen in 3/326 (0.9% (95% CI, 0.2–2.7%)) and only the left in 6/326 (1.8% (95% CI, 0.6–4.0%)) (P = 0.5048). There was no significant difference in the median time required to visualize the right vs left SP (9.0 (interquartile range (IQR), 8.0–10.0) s vs 9.0 (IQR, 8.0–10.0) s; P = 0.0770). The median transverse diameter of the right SP was 15.0 (IQR, 14.2–15.6) mm and that of the left SP was 14.9 (IQR, 14.4–15.6) mm.ConclusionsWe describe a novel method which allows for the consistent and rapid identification of the SP on TVS. Integrating assessment of the SP into routine pelvic TVS may be helpful particularly for women suffering from deep endometriosis. © 2023 The Authors. Ultrasound in Obstetrics & Gynecology published by John Wiley & Sons Ltd on behalf of International Society of Ultrasound in Obstetrics and Gynecology.
The decomposition of neutron-antineutron oscillation operators
Authors: Chen Shao-Long , Xiao Yu-Qi 
Published: March 2023

Abstract
We study the systematic decomposition of the dimension nine neutron-antineutron oscillation operators at tree and one-loop levels. We discuss the topologies’ generation and the assignment of the chiral quarks. The completed lists of the decompositions are provided. We furthermore show an example that the neutron-antineutron oscillation occurs at one-loop level, with the tiny neutrino mass being generated via the scotogenic model and proton decay being evaded.
Soft-collinear gravity with fermionic matter
Authors: Beneke Martin , Hager Patrick , Schwienbacher Dominik 
Published: March 2023

Abstract
We extend the effective field theory for soft and collinear gravitons to interactions with fermionic matter fields. The full theory features a local Lorentz symmetry in addition to the usual diffeomorphisms, which requires incorporating the former into the soft-collinear gravity framework. The local Lorentz symmetry gives rise to Wilson lines in the effective theory that strongly resemble those in SCET for non-abelian gauge interactions, whereas the diffeomorphisms can be treated in the same fashion as in the case of scalar matter. The basic structure of soft-collinear gravity, which features a homogeneous soft background field, giving rise to a covariant derivative and multipole-expanded covariant Riemann-tensor interactions, remains unaltered and generalises in a natural way to fermion fields.
Empirical modeling of internal migration and commuting flows for economic regions in Norway
Authors: Kornstad Tom , Skjerpen Terje , Stambøl Lasse Sigbjørn 
Published: March 2023

AbstractThis article provides empirical results for internal migration and commuting flows using panel data for 89 economic regions in Norway for the years 2001–2014. The emphasis is on the potential effects of different incentive variables. We consider both in- and out-migration as well as in- and out-commuting with a common set of explanatory variables. We perform panel data analysis for four educational groups using seemingly unrelated regression (SUR) models, acknowledging that the effects of the incentive variables may vary across educational groups. Generally, we find weak responses to the incentive variables for the eight response variables, but they differ somewhat across the educational groups. The group comprised of those with a low education appears to be most responsive. An increase in an economic region’s relative wage rate leads to higher in-migration and lower out-migration for individuals with low education. Furthermore, an increase in an economic region’s relative unemployment rate leads to lower in-migration whereas out-migration is left unaffected for individuals with this type of education. Besides, an increase in the relative unemployment rate leads to a significant reduction in in-commuting for this group.
Comparison of two rapid automated analysis tools for large FTIR microplastic datasets
Authors: Moses Sonya R. , Roscher Lisa , Primpke Sebastian , Hufnagl Benedikt , Löder Martin G. J. , Gerdts Gunnar , Laforsch Christian 
Published: March 2023

AbstractOne of the biggest issues in microplastic (MP, plastic items  <5 mm) research is the lack of standardisation and harmonisation in all fields, reaching from sampling methodology to sample purification, analytical methods and data analysis. This hampers comparability as well as reproducibility among studies. Concerning chemical analysis of MPs, Fourier-transform infrared (FTIR) spectroscocopy is one of the most powerful tools. Here, focal plane array (FPA) based micro-FTIR (µFTIR) imaging allows for rapid measurement and identification without manual preselection of putative MP and therefore enables large sample throughputs with high spatial resolution. The resulting huge datasets necessitate automated algorithms for data analysis in a reasonable time frame. Although solutions are available, little is known about the comparability or the level of reliability of their output. For the first time, within our study, we compare two well-established and frequently applied data analysis algorithms in regard to results in abundance, polymer composition and size distributions of MP (11–500 µm) derived from selected environmental water samples: (a) the siMPle analysis tool (systematic identification of MicroPlastics in the environment) in combination with MPAPP (MicroPlastic Automated Particle/fibre analysis Pipeline) and (b) the BPF (Bayreuth Particle Finder). The results of our comparison show an overall good accordance but also indicate discrepancies concerning certain polymer types/clusters as well as the smallest MP size classes. Our study further demonstrates that a detailed comparison of MP algorithms is an essential prerequisite for a better comparability of MP data.
Phosphatidylinositol-3,4,5-trisphosphate interacts with alpha-synuclein and initiates its aggregation and formation of Parkinson’s disease-related fibril polymorphism
Authors: Choong Chi-Jing , Aguirre César , Kakuda Keita , Beck Goichi , Nakanishi Hiroki , Kimura Yasuyoshi , Shimma Shuichi , Nabekura Kei , Hideshima Makoto , Doi Junko , Yamaguchi Keiichi , Nakajima Kichitaro , Wadayama Tomoya , Hayakawa Hideki , Baba Kousuke , Ogawa Kotaro , Takeuchi Toshihide , Badawy Shaymaa Mohamed Mohamed , Murayama Shigeo , Nagano Seiichi , Goto Yuji , Miyanoiri Yohei , Nagai Yoshitaka , Mochizuki Hideki , Ikenaka Kensuke 
Published: March 2023

AbstractLipid interaction with α-synuclein (αSyn) has been long implicated in the pathogenesis of Parkinson’s disease (PD). However, it has not been fully determined which lipids are involved in the initiation of αSyn aggregation in PD. Here exploiting genetic understanding associating the loss-of-function mutation in Synaptojanin 1 (SYNJ1), a phosphoinositide phosphatase, with familial PD and analysis of postmortem PD brains, we identified a novel lipid molecule involved in the toxic conversion of αSyn and its relation to PD. We first established a SYNJ1 knockout cell model and found SYNJ1 depletion increases the accumulation of pathological αSyn. Lipidomic analysis revealed SYNJ1 depletion elevates the level of its substrate phosphatidylinositol-3,4,5-trisphosphate (PIP3). We then employed Caenorhabditis elegans model to examine the effect of SYNJ1 defect on the neurotoxicity of αSyn. Mutations in SYNJ1 accelerated the accumulation of αSyn aggregation and induced locomotory defects in the nematodes. These results indicate that functional loss of SYNJ1 promotes the pathological aggregation of αSyn via the dysregulation of its substrate PIP3, leading to the aggravation of αSyn-mediated neurodegeneration. Treatment of cultured cell line and primary neurons with PIP3 itself or with PIP3 phosphatase inhibitor resulted in intracellular formation of αSyn inclusions. Indeed, in vitro protein–lipid overlay assay validated that phosphoinositides, especially PIP3, strongly interact with αSyn. Furthermore, the aggregation assay revealed that PIP3 not only accelerates the fibrillation of αSyn, but also induces the formation of fibrils sharing conformational and biochemical characteristics similar to the fibrils amplified from the brains of PD patients. Notably, the immunohistochemical and lipidomic analyses on postmortem brain of patients with sporadic PD showed increased PIP3 level and its colocalization with αSyn. Taken together, PIP3 dysregulation promotes the pathological aggregation of αSyn and increases the risk of developing PD, and PIP3 represents a potent target for intervention in PD.
Hypoxia-induced autophagy in triple negative breast cancer: association with prognostic variables, patients’ survival and response to neoadjuvant chemotherapy
Authors: El-Guindy Dina M. , Ibrahim Fatma MKh , Ali Dina A. , El-Horany Hemat El-Sayed , Sabry Nesreen M. , Elkholy Rasha A. , Mansour Wael , Helal Duaa S. 
Published: March 2023

Abstract
Autophagy is a cellular response to diverse stresses within tumor microenvironment (TME) such as hypoxia. It enhances cell survival and triggers resistance to therapy. This study investigated the prognostic importance of HIF-1α and miR-210 in triple negative breast cancer (TNBC). Also, we studied the relation between beclin-1 and Bcl-2 and their prognostic relevance in triple negative breast cancer. Furthermore, the involvement of hypoxia-related markers, beclin-1 and Bcl-2 in mediating resistance to neoadjuvant chemotherapy (NACT) in TNBC was evaluated. Immunohistochemistry was performed to evaluate HIF-1α, beclin-1 and Bcl-2 expression whereas, miR-210 mRNA was detected by quantitative reverse transcription PCR (q-PCR) in 60 TNBC patients. High HIF-1α expression was related to larger tumors, grade III cases, positive lymphovascular invasion, advanced stage, high Ki-67 and poor overall survival (OS). High miR-210 and negative Bcl-2 expression were related to nodal metastasis, advanced stage and poor OS. High beclin-1 was associated with grade III, nodal metastasis, advanced stage and poor OS. Also, high beclin-1 and negative Bcl-2 were significantly associated with high HIF-1α and high miR-210. High HIF- 1α, miR-210 and beclin-1 as well as negative Bcl-2 were inversely related to pathologic complete response following NACT. High beclin-1 and lack of Bcl-2 are significantly related to hypoxic TME in TNBC. High HIF-1α, miR-210, and beclin-1 expression together with lack of Bcl-2 are significantly associated with poor prognosis as well as poor response to NACT. HIF-1α and miR-210 could accurately predict response to NACT in TNBC.