bluuebunny/crossref_metadata_2025_split huggingface dataset:
H2S‐Mediated Gas Therapy and HSP90 Downregulation Synergically Enhance Tumor Microwave Thermal Therapy
Authors: Li Shimei , Chen Zengzhen , Guo Wenna , Tan Longfei , Wu Qiong , Ren Xiangling , Fu Changhui , Wang Qiaozheng , Huang Zhongbing , Meng Xianwei 
Published: January 2024

AbstractMicrowave thermal therapy (MWTT) is a novel clinical treatment of tumors via inducing thermal effect and anti‐tumor immune response, exhibiting advantages of deep penetration, minimal invasion, and high heat conversion efficiency. However, effective ablation is difficult to cover the entire tumor area, and heat‐shock protein 90 (HSP90) is often upregulated after ablation to generate heat tolerance of sublethal tumors and weaken the induced antitumor immune effect, resulting in a high rate of tumor recurrence and metastasis. Herein, a multifunctional nanoregulator of metal phenolic network‐coated ZnS (ZnS@Ga‐tannic acid, ZGT) is proposed to release H2S for synergically enhancing MWTT. Under the costimulation of MW radiation and acidic tumor microenvironment, ZGT can improve the MW thermal effects of tumors to promote thermal damage and release H2S to induce tumor apoptosis. The released H2S can also inhibit the production of ATP and then downregulate the expression of HSP90, strengthening the activated systemic antitumor immune response after ablation. This nanoregulator provides a new way for achieving compensation effect for MWTT. The strategy of H2S gas to downregulate HSP90 and positively regulate antitumor immune response introduces a novel direction for reducing the risk of tumor recurrence and metastasis after thermal therapy.
A Versatile Intestine‐on‐Chip System for Deciphering the Immunopathogenesis of Inflammatory Bowel Disease
Authors: Nguyen Oanh T. P. , Misun Patrick M. , Hierlemann Andreas , Lohasz Christian 
Published: January 2024

AbstractThe multifactorial nature of inflammatory bowel disease (IBD) necessitates reliable and practical experimental models to elucidate its etiology and pathogenesis. To model the intestinal microenvironment at the onset of IBD in vitro, it is important to incorporate relevant cellular and noncellular components before inducing stepwise pathogenic developments. A novel intestine‐on‐chip system for investigating multiple aspects of IBD's immunopathogenesis is presented. The system includes an array of tight and polarized barrier models formed from intestinal epithelial cells on an in‐vivo‐like subepithelial matrix within one week. The dynamic remodeling of the subepithelial matrix by cells or their secretome demonstrates the physiological relevance of the on‐chip barrier models. The system design enables introduction of various immune cell types and inflammatory stimuli at specific locations in the same barrier model, which facilitates investigations of the distinct roles of each cell type in intestinal inflammation development. It is showed that inflammatory behavior manifests in an upregulated expression of inflammatory markers and cytokines (TNF‐α). The neutralizing effect of the anti‐inflammatory antibody Infliximab on levels of TNF‐α and its inducible cytokines could be explicitly shown. Overall, an innovative approach to systematically developing a microphysiological system to comprehend immune‐system‐mediated disorders of IBD and to identify new therapeutic strategies is presented.
Feature analysis of generic AI models for CO2 equilibrium solubility into amines systems
Authors: Lan Ting , Dong Shoulong , Luo Hui , Bai Liju , Liu Helei 
Published: January 2024

AbstractReported models have disadvantages such as poor prediction accuracy and time‐consuming. And they can not reflect the impact of chemical reactions on CO2 solubility. To compensate for these deficiencies, parameters representing operational parameters, physical properties, chemical properties, and molecular properties are introduced as input variables. A series of models are constructed by three algorithms: back propagation neural network, radial basis function neural network, and random forest. The model with the best prediction performance is level OPCM (RBFNN), with the AARE of only 1.52%. By ranking the importance of the features using the RF algorithm, PCO2, was found to be the key parameter affecting the CO2 loadings, with M being the least important. Using the screened key parameters to model the model, as well as optimizing the structure, can further improve the predictive performance of the model. The full process development and optimization model framework constructed in this article can provide practical guidance for the development of machine learning models.
Whole genome sequencing as a first‐tier diagnostic test for infants in neonatal intensive care units: A pilot study in Brazil
Authors: Migliavacca Michele P. , Sobreira Joselito , Bermeo Diana , Gomes Mireille , Alencar Dayse , Sussuchi Luciane , Souza Camila Alves , Silva Juliana Santos , Kroll José Eduardo , Burger Matheus , Guarischi‐Sousa Rodrigo , Villela Darine , Yamamoto Guilherme L. , Milanezi Fernanda , Horigoshi Nelson , Cesar Regina Grigolli , de Carvalho Werther Brunow , Honjo Rachel Sayuri , Bertola Debora Romeo , Kim Chong Ae , de Souza Lucian , Procianoy Renato S. , Silveria Rita C. , Rosenberg Carla , Giugliani Roberto , Campana Gustavo Aguiar , Scapulatempo‐Neto Cristovam , Sobreira Nara 
Published: January 2024

AbstractIn this pilot study, we aimed to evaluate the feasibility of whole genome sequencing (WGS) as a first‐tier diagnostic test for infants hospitalized in neonatal intensive care units in the Brazilian healthcare system. The cohort presented here results from a joint collaboration between private and public hospitals in Brazil considering the initiative of a clinical laboratory to provide timely diagnosis for critically ill infants. We performed trio (proband and parents) WGS in 21 infants suspected of a genetic disease with an urgent need for diagnosis to guide medical care. Overall, the primary indication for genetic testing was dysmorphic syndromes (n = 14, 67%) followed by inborn errors of metabolism (n = 6, 29%) and skeletal dysplasias (n = 1, 5%). The diagnostic yield in our cohort was 57% (12/21) based on cases that received a definitive or likely definitive diagnostic result from WGS analysis. A total of 16 pathogenic/likely pathogenic variants and 10 variants of unknown significance were detected, and in most cases inherited from an unaffected parent. In addition, the reported variants were of different types, but mainly missense (58%) and associated with autosomal diseases (19/26); only three were associated with X‐linked diseases, detected in hemizygosity in the proband an inherited from an unaffected mother. Notably, we identified 10 novel variants, absent from public genomic databases, in our cohort. Considering the entire diagnostic process, the average turnaround time from enrollment to medical report in our study was 53 days. Our findings demonstrate the remarkable utility of WGS as a diagnostic tool, elevating the potential of transformative impact since it outperforms conventional genetic tests. Here, we address the main challenges associated with implementing WGS in the medical care system in Brazil, as well as discuss the potential benefits and limitations of WGS as a diagnostic tool in the neonatal care setting.
Health‐Poverty Inequality in Australia from 2001 to 2018
Authors: Jun Dajung , Sutton Matt 
Published: January 2024

AbstractWhile established measures gauge poverty across diverse aspects of life, a definitive metric for health poverty in Australia remains absent. This study examines health poverty trends, identifying priorities for interventions to improve overall population health. We define health poverty as the state of falling below a specified minimum threshold in any critical health aspect, encompassing physical function, role function, social function, pain, mental health and vitality. Additionally, mortality (i.e., dying within 1 year) is integrated into the health poverty measure. The percentage of the overall adult population grappling with health poverty was 42 per cent in 2001, falling to 37 per cent in 2009 before ascending to 43 per cent in 2018. The level of health poverty was more prevalent among women, older age groups and Indigenous individuals than in men, younger age groups or non‐Indigenous people, respectively. By meticulously monitoring health poverty trends across various dimensions, this study unveils the sociodemographic group susceptible to health poverty and quantifies its impact on overall population well‐being. The investigation highlights poor role functioning and vitality deficiency as pivotal components contributing to health poverty.
CuI/DMAP‐Catalyzed Oxidative Alkynylation of 7‐Azaindoles: Synthetic Scope and Mechanistic Studies
Authors: Talukdar Vishal , Mondal Krishanu , Kumar Dhaked Devendra , Das Parthasarathi 
Published: January 2024

AbstractAn efficient and practical method for the N‐alkynylation of 7‐azaindoles has been established by using CuI/DMAP catalytic system at room temperature and in open air. This simple protocol has been successfully employed in the synthesis of a wide range of N‐alkynylated 7‐azaindoles with good yields. Also, this approach is well‐suited for large‐scale N‐alkynylation reactions. The designed N‐alkynylated 7‐azaindoles were further subjected to Cu‐/Ir‐catalyzed alkyne–azide cycloaddition (CuAAC/IrAAC) or “click” reaction for the rapid synthesis of 1,4‐/1,5 disubstituted 1,2,3‐triazole decorated 7‐azaindoles. A mechanistic study based on density functional theory (DFT) calculations and ultraviolet–visible (UV) spectroscopic studies revealed that the CuI and DMAP combination formed a [CuII(DMAP)2I2] species, which acts as an active catalyst. The DFT method was used to assess the energetic viability of an organometallic in the C−N bond formation pathway originating from the [CuII(DMAP)2I2] complex. We expect that the newly designed Cu/DMAP/alkyne system will offer valuable insights into the field of Cu‐catalyzed transformations.
Spontaneous nanoemulsification of cinnamon essential oil: Formulation, characterization, and antibacterial and antibiofilm activity against fish spoilage caused by Serratia rubidaea BFMO8
Authors: Arul Raj Jasmin Suriya , Aliyas Sheena , Poomany Arul Soundara Rajan Yolin Angel , Murugan Kasi , Karuppiah Ponmurugan , Arumugam Natarajan , Almansour Abdulrahman I. , Karthikeyan Perumal 
Published: January 2024

AbstractThe contemporary food industry's uses of nanoemulsions (NEs) include food processing, effective nutraceutical delivery, the development of functional chemicals, and the synthesis of natural preservatives, such as phytocompounds. Although cinnamon essential oil (CEO) is widely used in the cosmetic, pharmaceutical, and food industries, it is difficult to add to aqueous‐based food formulations due to its weak stability and poor water solubility. This study describes the formulation of a CEO nanoemulsion (CEONE) by spontaneous emulsification and evaluates its antibacterial and antibiofilm properties against biofilm‐forming Serratia rubidaea BFMO8 isolated from spoiled emperor fish (Lethrinus miniatus). Bacteria causing spoilage in emperor fish were isolated and identified as S. rubidaea using common morphological, cultural, and 16S RNA sequencing methods, and their ability to form biofilms and their susceptibility to CEONE were assessed using biofilm‐specific methods. The spontaneous emulsification formulation of CEONE was accomplished using water and Tween 20 surfactant by manipulating organic and aqueous phase interface properties and controlling particle growth by capping surfactant increases. The best emulsification, with highly stable nano‐size droplets, was accomplished at 750 rpm and a 1:3 ratio concentration. The stable CEONE droplet size, polydispersity index, and zeta potential values were 204.8 nm, 0.115, and −6.05 mV, respectively. FTIR and high‐resolution liquid chromatography‐mass spectrometry (HR‐LCMS) analyses have revealed carboxyl, carbonyl, and phenol‐like primary phytochemical functional groups in CEO and CEONE, which contribute to their antibacterial and antibiofilm properties.
Der Mühlensteg in Besigheim
Authors: Keil Andreas , Linden Sebastian , Sander Christiane 
Published: January 2024

AbstractIn dem kleinen Ort Besigheim, nördlich von Stuttgart, wurde vor dem historischen, denkmalgeschützten Stadtbild eine Fußgängerbrücke über die Enz gebaut. Mit einer gekrümmten Spannweite von ca. 70 m und schräg verlaufenden Hängeseilen, die nur mit der Außenkante des Überbaus verbunden sind, bietet die einhüftige, selbstverankerte Hängebrücke Fußgängern eine direkte Verbindung vom Enzpark in das mittelalterliche Stadtzentrum. Darüber hinaus können Radfahrer den Fluss über die neue Querung von einem Ufer zum anderen überqueren. Obwohl es sich bei der Fußgängerbrücke um eine hochtechnische Leichtbaukonstruktion handelt, nimmt sie Rücksicht auf den örtlichen Kontext und bezieht die angrenzende denkmalgeschützte Wassermühle behutsam mit ein. So trägt die Brücke in Form und Funktion zum Park mit dem dazugehörigen Uferspielplatz bei und ermöglicht es den Besuchern, den Fluss und das historische Stadtbild auf neue Weise zu erleben.
Ippia Alba Essential Oil: A Promising Complementary Therapy for Breast Cancer
Authors: Hedhili Lassaad 
Published: January 2024

AbstractBreast cancer remains a pressing global health issue, spurring exploration into innovative therapies. This review focuses on Lippia alba (Mill.) essential oil‘s potential as a complementary breast cancer treatment. With growing interest in natural approaches, Lippia alba shows promise in breast cancer management. The review will explore Lippia alba‘s multifaceted role in treatment, highlighting its anticancer effects on breast cancer cells, potential synergy with conventional treatments, safety profiles, and existing clinical evidence. It will also address knowledge gaps, stressing the need for further research to unlock Lippia alba‘s full therapeutic potential in breast cancer therapy. In a field craving novel therapies, this review offers a timely analysis. Despite the lack of existing reviews on this topic, Lippia alba‘s significance cannot be understated. As research progresses, this article will be a valuable resource for researchers and healthcare practitioners seeking to augment breast cancer management through complementary therapies.
Computational Evaluation of Bioactive Compounds from Dysphania ambrosioides Leaves
Authors: Kadi Mounime , Berraouaan Ali , Driouech Mounia , Ziyyat Abderrahim , Mekhfi Hassan , Bnouham Mohamed , Legssyer Abdelkhaleq 
Published: January 2024

AbstractDysphania ambrosioides has been reported to have many medicinal properties, due to its possession of a multitude of biologically active molecules contained in its leaves. However, very few studies have been reported to evaluate their pharmacological properties. Consequently, in the present study, many computational tools have been performed to predict drug similarity and ADMET properties. Besides, the inhibitory potential of D.ambrosioides major compounds against Bacterial, Fungal and cardiovascular main receptor targets has been investigated. This study suggests that Carvone oxide, 5‐Isopropenyl‐2‐Methylenecyclohexanol, and Caryophyllene oxide were the most active molecules belonging to D. ambrosioides Leaves, possessing drug‐likeness with satisfactory bioactivity scores, having good pharmacokinetic values. Metabolism and toxicities were further studied using FAME3, GLORY, and pred‐hERG. Slight cardiotoxicity and cytotoxicity were predicted, respectively, for Caryophyllene oxide and Carvone oxide, 5‐Isopropenyl‐2‐Methylenecyclohexanol. Good inhibitory activities of the three compounds against Bacterial, Fungal, and Cardiovascular receptor targets. Hence, this is a comprehensive in silico approach to evaluate D.ambrosioides Leaves main phytocompounds in the background of its potential in future drug development
Alkaloids and Lignans from the Aerial Parts of Rauvolfia tetraphylla Inhibit NO Production in LPS‐activated RAW 264.7 Cells
Authors: Tung Ninh Khac Thanh , Dung Duong Thi , Kiem Phan Van , Hang Dan Thi Thuy , Nhiem Nguyen Xuan , The Nguyen Van , Seo Yohan , Kang Jong Seong , Tai Bui Huu 
Published: January 2024

AbstractThree previously undescribed compounds named rauvolphyllas A−C (1‐3), along with thirteen known compounds, 18β‐hydroxy‐3‐epi‐α‐yohimbine (4), yohimbine (5), α‐yohimbine (6), 17‐epi‐α‐yohimbine (7), (E)‐vallesiachotamine (8), (Z)‐vallesiachotamine (9), 16S‐E‐isositsirikine (10), Nb–methylisoajimaline (11), Nb–methylajimaline (12), ajimaline (13), (+)‐lyoniresinol 3α‐O‐β‐D‐glucopyranoside (14), (+)‐isolarisiresinol 3α‐O‐β‐D‐glucopyranoside (15), and (−)‐lyoniresinol 3α‐O‐β‐D‐glucopyranoside (16) were isolated from the aerial parts of Rauvolfia tetraphylla L. Their chemical structures were elucidated based on the extensive spectroscopic interpretation of HR‐ESI‐MS, 1D and 2D NMR spectra. The absolute configurations of 2 and 3 were determined by experimental ECD spectra. Compounds 5, 6, 7, and 11–13 exhibited nitric oxide production inhibition activity in LPS‐activated RAW 264.7 cells with the IC50 values of 79.10, 44.34, 51.28, 33.54, 37.67, and 28.56 μM, respectively, compared to that of the positive control, dexamethasone, which showed IC50 value of 13.66 μM. The other isolates were inactive with IC50 values over 100 μM.
Kinetic, Thermodynamic, and Parametric Studies on Batch Synthesis of 1,1‐Diethoxybutane Catalyzed by Amberlyst‐15 Wet
Authors: Tikekar Ketaki , Singh Kailash , Upadhyaya Sushant 
Published: January 2024

Abstract1,1‐Diethoxybutane is a high‐potential biofuel additive that enhances various fuel properties, which include cetane number, lubricity, biodegradability, and flash point. This work presents a kinetic and thermodynamic study on the acetalization reaction between butanal and ethanol in the presence of Amberlyst‐15 wet in a batch reactor. The experiments were conducted in the temperature range 313–333 K at atmospheric pressure with three different initial molar ratios of reactants and catalyst loadings. An optimal parameter setting to achieve maximum equilibrium conversion of butanal was derived from a parametric study with these three factors. The equilibrium constant for the reaction was determined. Standard thermodynamic properties of the reaction, such as enthalpy, entropy, and Gibbs free energy, were experimentally evaluated. The activity‐based two‐parameter Langmuir‐Hinshelwood‐Hougen‐Watson rate expression was used for reaction kinetics. The activity coefficients were calculated by the UNIFAC method. The kinetic parameters and the activation energy were evaluated from the experimental data. The experimental data and data predicted by the model were found to be in good agreement.
Hormones Concentration in an Aqueous Two‐Phase System: Experimental and Computational Analysis
Authors: Buarque Filipe S. , Lima Thailan S. P. , Carniel Adriano , Ribeiro Bernardo D. , Coelho Maria A. Z. , Souza Ranyere L. , Soares Cleide M. F. , Pereira Matheus M. , Lima Álvaro S. 
Published: January 2024

AbstractEstrogens are emergent pollutants found in low levels in water bodies, and for this reason they require concentration for quantification. In this study, aqueous two‐phase systems (ATPSs) were used as an alternative strategy to improve hormone detection and quantification from real water samples. In addition, a predictive computational method (COSMO‐RS) was used to understand better the migration of hormones between the two phases at the molecular level. Water samples previously analyzed as hormone‐free were added to the 250‐fold concentrated ATPS, where it was possible to detect and quantify concentrations of these micropollutants in the range of 9.3–29.19 ng L−1.
Convergent Synthesis of the Nonreducing Hexasaccharide Fragment and the Dodecasaccharide Scaffold of Marine Lipopolysaccharide Axinelloside A
Authors: Zeng Changgen , Zhang Haoliang , Zhu Dapeng , Yu Biao 
Published: January 2024

AbstractA convergent synthesis of the dodecasaccharide scaffold of axinelloside A was achieved through Au(I)‐catalyzed [6+6] glycosylation. The initially devised [3+1+2] assembly of the nonreducing hexasaccharide fragment was low‐yielding, whereas a convergent [3+3] glycosylation under Au(I) catalysis was proven feasible, allowing for a semi‐gram scale preparation of the wanted hexasaccharide. The requisite 1,2‐cis glycosidic bonds were forged in a highly stereoselective fashion by virtue of remote acetyl group participation, and judicious manipulation of protecting groups. The synthetic dodecasaccharide has been properly protected for the downstream elaboration toward its natural form.
Investigating the influence of surface shear stress on the stability of gravity‐driven multilayer liquid flow
Authors: Tomar Dharmendra S. 
Published: January 2024

AbstractWe conducted a linear stability analysis on the behaviour of two gravity‐driven Newtonian liquid layers flowing down an inclined rigid plane, subjected to external shear stress at the free surface, in both the direction of and opposite to gravity. A long wave asymptotic analysis was conducted to examine the influence of several parameters, including liquid film thickness (β), viscosity ratio (μr), and external shear stress (τ), on the interfacial modes of both gas–liquid (GL) and liquid–liquid (LL). For viscosity ratios (μr) < 1 and Reynolds number (Re) = 0, the observations indicate that the LL mode exhibits instability attributed to O(k) instability. This phenomenon is manifest when an external shear stress is applied at the GL interface, specifically within a defined range of negative shear stress values. When and , the investigation reveals the presence of two complex conjugate roots when external shear stress opposes the direction of gravity. One of these roots, referred to as the positive root, is associated with the leading (or zero) order instability that renders the GL mode unstable. The other root corresponds to the leading (or zero) order stability, contributing to the stability of the LL mode. In contrast, when external shear stress acts along the gravity direction, we observe that the GL mode is stable while the LL mode becomes unstable due to O(k) instability for various values of β. This finding highlights the importance of the direction of external shear stress in determining the interfacial mode's stability behaviour.