bluuebunny/crossref_metadata_2025_split huggingface dataset:
Recent advances in the development of celecoxib analogs as anticancer agents: A review
Authors: Abdelhaleem Eman F. , Kassab Asmaa E. , El‐Nassan Hala B. , Khalil Omneya M. 
Published: August 2022

AbstractCelecoxib is a nonsteroidal anti‐inflammatory drug (NSAID) designed to be a selective cyclooxygenase‐2 (COX‐2) inhibitor. It was approved by the U.S. Food and Drug Administration for the treatment of inflammatory diseases such as osteoarthritis and rheumatoid arthritis. Additionally, celecoxib demonstrated potent antitumor and chemopreventive effects in vitro, in vivo, and in patients. The mechanism of celecoxib's chemopreventive effect is still not fully identified, but it is assumed to be multifactorial. Celecoxib's anticancer activity has been described both as independent of and dependent on its COX‐2 inhibitory activity. The current review summarizes the recent advances published between 2000 and 2022 on the structure‐based optimization of celecoxib to develop compounds with promising anticancer activity. The structure–activity relationships of celecoxib analogs are discussed, which may be beneficial in the design and development of novel analogs as potent antiproliferative agents in the future.
Sustainable approaches towards green synthesis of TiO2 nanomaterials and their applications in photocatalysis‐mediated sensing to monitor environmental pollution
Authors: Singh Tripti , Sharma Shalini , Singh Rajeev , Pal Dan Bahadur , Ahmad Irfan , Alam Mohammad Mahtab , Singh Nand Lal , Srivastava Manish , Srivastava Neha 
Published: August 2022

AbstractNanomaterials are gaining enormous interests due to their novel applications that have been explored nearly in every field of our contemporary society. In this scenario, preparations of nanomaterials following green routes have attracted widespread attention in terms of sustainable, reliable, and environmentally friendly practices to produce diverse nanostructures. In this review, we summarize the fundamental processes and mechanisms of green synthesis approaches of TiO2 nanoparticles (NPs). We explore the role of plants and microbes as natural bioresources to prepare TiO2 NPs. Particularly, focus has been made to explore the potential of TiO2‐based nanomaterials to design a variety of sensing platforms by exploiting the photocatalysis efficiency under the influence of a light source. These types of sensing are of massive importance for monitoring environmental pollution and therefore for inventing advanced strategies to remediate hazardous pollutants and offer a clean environment.
A validated liquid chromatography–tandem mass spectrometry method for the determination of l‐hyoscyamine in human plasma: Application in a clinical study
Authors: Duan Yunhai , Zuo Zhenglong , Chen Yinchun , Song Qingqing , Yu Mingming , Yang Yong 
Published: August 2022

AbstractAtropine is a racemic mixture of d‐ and l‐hyoscyamine, but only l‐hyoscyamine is the effective ingredient. In this study, a new, sensitive, stable, and selective LC/MS assay was developed for the determination of l‐hyoscyamine and applied to a clinical study. The parent–product (m/z) transition pair of l‐hyoscyamine was 290.1 → 124.1. Chromatographic separations were performed using a chiral MZ column (250 mm × 4.6 mm, 5.0 μm) by a stepwise gradient elution mode with n‐hexane, isopropanol, and diethylamine as mobile phases. l‐Hyoscyamine in human plasma was extracted by liquid–liquid extraction. This assay displayed a good linearity over a concentration range of 20.0–400 pg/mL for l‐hyoscyamine. The accuracy of the validation assay for l‐hyoscyamine ranged from −2.7% to 4.5%, and the precision was within 6.3% coefficient of variation. l‐Hyoscyamine in human plasma remained stable at different storage conditions. The method has been successfully applied to plasma samples obtained from a safety study in humans.
Predictive biomarkers of survival in patients with advanced hepatocellular carcinoma receiving atezolizumab plus bevacizumab treatment
Authors: Chon Young Eun , Cheon Jaekyung , Kim Hyeyeong , Kang Beodeul , Ha Yeonjung , Kim Do young , Hwang Seong Gyu , Chon Hong Jae , Kim Beom Kyung 
Published: August 2022

AbstractBackgroundSince atezolizumab plus bevacizumab (ATE+BEV) regimen for patients with unresectable hepatocellular carcinoma (HCC) was released quite recently, real‐world data are lacking. We evaluated efficacy, safety, and predictive biomarkers for survival in patients receiving ATE+BEV.MethodsBetween 2020 and 2021, HCC patients receiving ATE+BEV at academic teaching hospitals were recruited. Treatment response was assessed using the Response Evaluation Criteria in Solid Tumors (version 1.1.).ResultsAmong 121 patients enrolled, the median age was 63 years, with male predominance (82.6%). Complete response, partial response, stable disease, and progressive disease were identified in 2.5%, 26.4%, 54.5%, and 16.6%, respectively. Patients with alpha‐fetoprotein and des‐gamma‐carboxy prothrombin (DCP) response, defined as ≥30% and ≥50% decreases, respectively, at the first response evaluation relative to baseline, and those with neutrophil‐to‐lymphocyte ratio (NLR) <2.5, had significantly higher objective response rates (42.6% vs. 21.5%, 50.0% vs. 26.2%, and 39.0% vs. 19.4%, respectively; all p < 0.05). During follow‐up, the median overall survival (OS) was not reached, and the median progression‐free survival (PFS) was 5.7 months. Multivariable analyses showed that macrovascular invasion (adjusted hazard ratio [aHR] 2.541; p = 0.017), DCP ≥186 mAU/ml (aHR 5.102; p < 0.001), NLR ≥2.5 (aHR 3.584; p = 0.001), and an NLR decrease ≥10% at the first response (aHR 0.305; p = 0.002) were independent predictors of OS, and DCP ≥186 mAU (aHR 2.311; p = 0.002) and NLR ≥2.5 (aHR 1.938; p = 0.012) were independent predictors of PFS. Grade ≥3 treatment‐related adverse events (AEs) occurred in 33 (27.3%) patients.ConclusionATE+BEV showed favorable efficacy and safety. Baseline high DCP and NLR may be useful prognostic predictors for OS and PFS.
Using a social robot for children with autism: A therapist‐robot interactive model
Authors: Lin Jiayu , Li Jiefeng , She Yingying , Lin Lin , Wu Hang , Zhang E. , Lei Jiayi , Huang Wei , Li Jufeng 
Published: August 2022

AbstractSocial robots have great potential for the therapy of children with autism spectrum disorder, but the practical use of them is challenging. In this article, we presented a social robot YANG, which can interact with children with autism in their daily training. We propose a therapist‐robot interactive (TRI) model, which integrates with the practice of discrete trial training (DTT), a basic method utilized in autism training. To evaluate the TRI model, we implemented the model in YANG and conducted a single‐subject experiment in a rehabilitation training center. Data were collected on three children (ages 3–4) and their three therapists as they interacted with YANG in training sessions. Results showed that the children's learning ability significantly improved. YANG formed natural and friendly relationships with the children and delivered substantial support to therapists. Our research brings insight into using social robots for children with autism.
Synthesis and Molecular Docking of New Bis‐Thiazolidinone‐Based Chalcone Analogs as Effective Inhibitors of Acetylcholinesterase and Butyrylcholinesterase
Authors: Hussain Rafaqat , Rahim Fazal , Rehman Wajid , Taha Muhammad , Khan Shoaib , Zaman Khalid , Adnan Ali Shah Syed , Wadood Abdul , Imran Syahrul , Abdellatif Magda H. 
Published: August 2022

AbstractThis work reports the convenient strategy for the synthesis of bis‐thiazolidinone based chalcone analogs (1–20) from readily available thiosemicarbazide hydrochloride, ammonium thiocyanate and benzaldehyde. All the newly afforded bis‐thiazolidinone based chalcone analogs (1–20) were screened in vitro for their acetylcholinesterase and butyrylcholinesterase inhibition profile. It was noteworthy, that all the synthetic analogs (except analogs 10, 12 and 14, which are found to be inactive) showed moderate to good inhibitory potentials on screening against acetylcholinesterase having range of inhibitory with IC50 values from 0.070±0.050 to 7.60±0.10 μM, and similarly for butyrylcholinesterase with range IC50 values from 0.10±0.050 μM to 10.70±0.20 μM, respectively as compared to standard Donepezil inhibitor (IC50=2.16±0.12 μM), (IC50=4.5±0.11 μM).Among the series, the analogs with hydroxy group showed superior inhibitory potentials against acetylcholinesterase and butyrylcholinesterase enzymes. Therefore, analog 20 (IC50=0.070±0.050 μM), (IC50=0.10±0.050 μM) bearing trihydroxy substitutions on ortho‐, meta‐ and para‐position of both rings A and B was found to be the most active inhibitor of acetylcholinesterase and butyrylcholinesterase enzymes among the current synthesized series (1–23). Analog 19 (IC50=0.15±0.050 μM), (IC50=0.20±0.050 μM) bearing dihydroxy substitutions on ortho‐ and meta‐position of both ring A and ring B was identified as the second most potent inhibitor against both these enzymes. Interestingly, the compound (16) (IC50=1.50±0.10 μM against AChE) has a better selectivity index (2.60) than standard Donepezil drug (2.083) for AChE over BuChE. The different types of spectroscopic techniques such as HR‐EI‐MS, 1H‐ and 13C‐ NMR were used to confirm the structure of all the newly synthetics analogs. To find structure‐activity relationship, molecular docking studies were carried out to understand the binding mode of active inhibitors with active site of enzymes and results supported the experimental data.
Supramolecular Host‐Guest Interaction‐Driven Electrochemical Recognition for Pyrophosphate and Alkaline Phosphatase Analysis
Authors: Qin Lingxia , Ren Xinxin , Hu Kaiyue , Wu Di , Guo Zhiyong , Wang Sui , Jiang Linwen , Hu Yufang 
Published: August 2022

AbstractWe report an electrochemical biosensor based on the supramolecular host‐guest recognition between cucurbit[7]uril (CB[7]) and L‐phenylalanine‐Cu(II) complex for pyrophosphate (PPi) and alkaline phosphatase (ALP) analysis. First, L‐Phe‐Cu(II) complex is simply synthesized by the complexation of Cu(II) (metal node) with L‐Phe (bioorganic ligand), which can be immobilized onto CB[7] modified electrode via host‐guest interaction of CB[7] and L‐Phe. In this process, the signal of the complex‐triggered electro‐catalytic reduction of H2O2 can be captured. Next, due to the strong chelation between PPi and Cu(II), a biosensing system of the model “PPi and Cu(II) premixing, then adding L‐Phe” was designed and the platform was applied to PPi analysis by hampering the formation of L‐Phe‐Cu(II) complex. Along with ALP introduction, PPi can be hydrolyzed to orthophosphate (Pi), where abundant Cu(II) ions are released to form L‐Phe‐Cu(II) complex, which gives rise to the catalytic reaction of complex to H2O2 reduction. The quantitative analysis of H2O2, PPi and ALP activity was achieved successfully and the detection of limits are 0.067 μM, 0.42 μM and 0.09 mU/mL (S/N=3), respectively. With its high sensitivity and selectivity, cost‐effectiveness, and simplicity, our analytical system has great potential to for use in diagnosis and treatment of ALP‐related diseases.
Extracellular vesicles from bone marrow mesenchymal stromal cells of severe aplastic anemia patients attenuate hematopoietic functions of CD34+ hematopoietic stem and progenitor cells
Authors: Srivastava Jyotika , Katiyar Shobhita , Chaturvedi Chandra P. , Nityanand Soniya 
Published: August 2022

AbstractMesenchymal stromal cells (MSC) regulate hematopoiesis in the bone marrow (BM) niche and extracellular vesicles (EVs) released by BM‐MSC are important mediators of the cross‐talk between BM‐MSC and hematopoietic stem and progenitor cells (HSPC). We have previously demonstrated that BM‐MSC of severe aplastic anemia (SAA) patients have an altered expression of hematopoiesis regulatory molecules. In the present study, we observed that CD34+ HSPC when cocultured with BM‐MSC EVs from aplastic anemia patients exhibited a significant reduction in colony‐forming units (p = .001), cell proliferation (p = .002), and increased apoptosis (p > .001) when compared to coculture with BM‐MSC EVs from controls. Collectively, our results highlight that EVs derived from the BM‐MSC of SAA patients impair the hematopoiesis supporting function of HSPC.
P53 in endothelial function and unfolded protein response regulation
Authors: Kubra Khadeja‐Tul , Barabutis Nektarios 
Published: August 2022

AbstractVascular barrier dysfunction due to endothelial hyperpermeability has been associated with the pathophysiology of sepsis and severe lung injury, which may inflict acute respiratory distress syndrome (ARDS). Our group is focused on the mechanisms operating towards the regulation of endothelial permeability, to contribute in the development of efficient and targeted countermeasures against ARDS. Unfortunately, the number of ARDS‐related deaths in the intensive care units has dramatically increased during the COVID‐19 era. The findings described herein inform the corresponding scientific and medical community on the relation of P53 and stress responses in barrier function.
Ligand Assisted CO2 Activation and Catalytic Valorization by an NHI‐Stabilized Stannylene
Authors: Sarkar Debotra , Groll Lisa , Munz Dominik , Hanusch Franziska , Inoue Shigeyoshi 
Published: August 2022

AbstractThe aryl(imino)stannylene MesTer[N(IDipp)]Sn could be obtained by treating NHILi (NHI=N(IDipp), IDipp=C[N‐(2,6‐iPr2C6H3)CH]2) with MesTerSnCl (MesTer=2,6‐Mes2C6H3) and offers a unique reactivity pattern compared to conventional single site tetrylene catalyzed CO2 reduction reactions. The Sn(II) center, stabilized by the NHI ligand enabled the sequestration and valorization of CO2 to C1 feedstock stoichiometrically, as well as catalytically, utilizing HBpin (pin=pinacolato) as reductant. The experimental comparison with aryl(amido)stannylene MesTer(NPh2)Sn and aryl(phosphinidene)stannylene MesTer[P(IDipp)]Sn, as well as computational analysis, rationalize the electronic features and key role of the NHI ligand in the CO2 reduction process. In case of the phosphorus congener, Sn−P bonding with pronounced double‐bond character is obtained, which prevents swift dissociation, thus preventing CO2 uptake. Instead, hard/soft mismatch between tin and the NHI induces zwitterionic and single‐bond character, switching on the intermediate dissociation of Sn(II)/NHI, followed by a tin hydride mediated reduction step, and thus allows for efficient catalysis under mild conditions.
Using Macrocyclic G‐Quadruplex Ligands to Decipher the Interactions Between Small Molecules and G‐Quadruplex DNA
Authors: Andréasson Måns , Bhuma Naresh , Pemberton Nils , Chorell Erik 
Published: August 2022

AbstractThis study aims to deepen the knowledge of the current state of rational G4‐ligand design through the design and synthesis of a novel set of compounds based on indoles, quinolines, and benzofurans and their comparisons with well‐known G4‐ligands. This resulted in novel synthetic methods and G4‐ligands that bind and stabilize G4 DNA with high selectivity. Furthermore, the study corroborates previous studies on the design of G4‐ligands and adds deeper explanations to why a) macrocycles offer advantages in terms of G4‐binding and ‐selectivity, b) molecular pre‐organization is of key importance in the development of strong novel binders, c) an electron‐deficient aromatic core is essential to engage in strong arene‐arene interactions with the G4‐surface, and d) aliphatic amines can strengthen interactions indirectly through changing the arene electrostatic nature of the compound. Finally, fundamental physicochemical properties of selected G4‐binders are evaluated, underscoring the complexity of aligning the properties required for efficient G4 binding and stabilization with feasible pharmacokinetic properties.
Advance and Designing Strategies in Polymeric Antifungal Agents Inspired by Membrane‐Active Peptides
Authors: Jiang Weinan , Wu Yueming , Zhou Min , Song Gonghua , Liu Runhui 
Published: August 2022

AbstractThe high‐mortality invasive fungal infections seriously threaten the lives of immunocompromised people. Host defense peptides and cell‐penetrating peptides are representative membrane‐active peptides with different functions. Among them, host defense peptides mimicking is a valid strategy in the design of synthetic antifungal agents. Despite the brilliance in the field of intracellular delivery, the potential of cell‐penetrating peptides and their mimics for designing antifungal agents has been overlooked. In this concept article, we describe the structural design of synthetic antifungal polymers as mimics of host defense peptides, and highlight the effectiveness and potential of cell‐penetrating peptide‐inspired strategy in designing potent and selective antifungal polymeric agents. In addition, an outlook for further expanding the design horizons of antifungal polymers is also presented.
Copper‐Zinc Oxide Catalysts for Aldehyde Hydrogenation by Direct Reductive Activation of Precursors
Authors: Hiller Max , Köhler Klaus 
Published: August 2022

AbstractBulk copper‐zinc oxide hydrogenation catalysts are generally prepared by calcination of co‐precipitated precursors followed by reduction. This study reports the direct reduction in hydrogen of co‐precipitated oxy/hydroxy‐carbonate precursors omitting calcination. Dried and incompletely calcined precursors are compared with calcined catalysts. The reduction reactions in hydrogen were monitored in situ by XRD and TGA‐MS. Direct activation of precursors led to higher copper dispersions and increased catalytic activity in the hydrogenation of butyraldehyde to butanol as test reaction.
Optimization of green extraction of high‐value components from Eugenia uniflora leaves: Thermal stability and in‐vitro biological activity
Authors: Farias Fabiane O. , Marques Caroline , Fragoso Jaqueline N. H. , Toci Aline Theodoro , Mafra Marcos R. , Igarashi‐Mafra Luciana 
Published: August 2022

AbstractDeep eutectic solvents (DES) were evaluated as a sustainable route to obtain bioactive compounds from Eugenia uniflora L. leaves (EUL). Completely randomized experimental designs determined the process conditions. The DES composed of cholinium chloride as hydrogen bond acceptor (HBA) and lactic acid, glycerol, or 1,2‐propanediol as hydrogen bond donor (HBD) showed the best extraction capacity. The better conditions were 150 min, 65°C, and a solid:liquid ratio of 1:30. The major constituents of the extracts, quantified by high‐performance liquid chromatography (HPLC), were naringin and caffeic acid. Moreover, the DES promoted a preservative effect on the EUL extracts against thermal treatments. All extracts exhibited high antioxidant and antiglycation activities and iron‐chelating potential. Moreover, when lactic acid was the HBD, the extracts showed considerable antibacterial activity. Therefore, it was effectively proposed as an effective and green route to obtain extracts with potential applications in the food, cosmetic, and pharmaceutical industries.
Adherence to the American Cancer Society Guidelines on nutrition and physical activity for cancer prevention and obesity‐related cancer risk and mortality in Black and Latina Women's Health Initiative participants
Authors: Pichardo Margaret S. , Esserman Denise , Ferrucci Leah M. , Molina Yamile , Chlebowski Rowan T. , Pan Kathy , Garcia David O. , Lane Dorothy S. , Shadyab Aladdin H. , Lopez‐Pentecost Melissa , Luo Juhua , Kato Ikuko , Springfield Sparkle , Rosal Milagros C. , Bea Jennifer W. , Cespedes Feliciano Elizabeth M. , Qi Lihong , Nassir Rami , Snetselaar Linda , Manson JoAnn , Bird Chloe , Irwin Melinda L. 
Published: August 2022

BackgroundAlthough adherence to the American Cancer Society (ACS) Guidelines on Nutrition and Physical Activity for Cancer Prevention associates with lower risk of obesity‐related cancer (ORC) incidence and mortality, evidence in Black and Latina women is limited. This association was examined in Black and Latina participants in the Women's Health Initiative (WHI).MethodsSemi‐Markov multistate model examined the association between ACS guideline adherence and ORC incidence and mortality in the presence of competing events, combined and separately, for 9301 Black and 4221 Latina postmenopausal women. Additionally, ACS guideline adherence was examined in a subset of less common ORCs and potential effect modification by neighborhood socioeconomic status and smoking.ResultsOver a median of 11.1, 12.5, and 3.7 years of follow‐up for incidence, nonconditional mortality, and conditional mortality, respectively, 1191 ORCs (Black/Latina women: 841/269), 1970 all‐cause deaths (Black/Latina women: 1576/394), and 341 ORC‐related deaths (Black/Latina women: 259/82) were observed. Higher ACS guideline adherence was associated with lower ORC incidence for both Black (cause‐specific hazard ratio [CSHR]highvs.low: 0.72; 95% CI, 0.55–0.94) and Latina (CSHRhighvs.low: 0.58, 95% CI, 0.36–0.93) women; but not conditional all‐cause mortality (Black hazard ratio [HR]highvs.low: 0.86; 95% CI, 0.53–1.39; Latina HRhighvs.low: 0.81; 95% CI, 0.32–2.06). Higher adherence was associated with lower incidence of less common ORC (Ptrend = .025), but conditional mortality events were limited. Adherence and ORC‐specific deaths were not associated and there was no evidence of effect modification.ConclusionsAdherence to the ACS guidelines was associated with lower risk of ORCs and less common ORCs but was not for conditional ORC‐related mortality.Lay summary

Evidence on the association between the American Cancer Society Guidelines on Nutrition and Physical Activity for Cancer Prevention and cancer remains scarce for women of color.

Adherence to the guidelines and risk of developing one of 13 obesity‐related cancers among Black and Latina women in the Women's Health Initiative was examined. Women who followed the lifestyle guidelines had 28% to 42% lower risk of obesity‐related cancer.

These findings support public health interventions to reduce growing racial/ethnic disparities in obesity‐related cancers.