bluuebunny/crossref_metadata_2025_split huggingface dataset:
Binuclear Copper(I) Complexes for Near‐Infrared Light‐Emitting Electrochemical Cells
Authors: Jouaiti Abdelaziz , Ballerini Lavinia , Shen Hsiang‐Ling , Viel Ronan , Polo Federico , Kyritsakas Nathalie , Haacke Stefan , Huang Yu‐Ting , Lu Chin‐Wei , Gourlaouen Christophe , Su Hai‐Ching , Mauro Matteo 
Published: June 2023

AbstractTwo binuclear heteroleptic CuI complexes, namely Cu−NIR1 and Cu−NIR2, bearing rigid chelating diphosphines and π‐conjugated 2,5‐di(pyridin‐2‐yl)thiazolo[5,4‐d]thiazole as the bis‐bidentate ligand are presented. The proposed dinuclearization strategy yields a large bathochromic shift of the emission when compared to the mononuclear counterparts (M1–M2) and enables shifting luminescence into the near‐infrared (NIR) region in both solution and solid state, showing emission maximum at ca. 750 and 712 nm, respectively. The radiative process is assigned to an excited state with triplet metal‐to‐ligand charge transfer (3MLCT) character as demonstrated by in‐depth photophysical and computational investigation. Noteworthy, X‐ray analysis of the binuclear complexes unravels two interligand π–π‐stacking interactions yielding a doubly locked structure that disfavours flattening of the tetrahedral coordination around the CuI centre in the excited state and maintain enhanced NIR luminescence. No such interaction is present in M1–M2. These findings prompt the successful use of Cu−NIR1 and Cu−NIR2 in NIR light‐emitting electrochemical cells (LECs), which display electroluminescence maximum up to 756 nm and peak external quantum efficiency (EQE) of 0.43 %. Their suitability for the fabrication of white‐emitting LECs is also demonstrated. To the best of our knowledge, these are the first examples of NIR electroluminescent devices based on earth‐abundant CuI emitters.
Recoverable Flexible Perovskite Solar Cells for Next‐Generation Portable Power Sources
Authors: Liu Jieqiong , Ye Tao , Yu Dongqu , Liu Shengzhong (Frank) , Yang Dong 
Published: June 2023

AbstractFlexible perovskite solar cells (FPSCs) with excellent recoverability show a wide range of potential applications in portable power sources. The recoverability of FPSCs requires outstanding bendability of each functional layer, including the flexible substrates, electrodes, perovskite light absorbers, and charge transport materials. This review highlights the recent progress and practical applications of high‐recoverability FPSCs, and illustrates the routes toward improvement of the recoverability and environmental stability through the choice of flexible substrates and the preparation of high‐quality perovskite films, as well as the optimization of charge‐selective contacts. In addition, we explore the intrinsic properties of each functional layer from the physical perspective and analyze how to select suitable functional layers. Additionally, some effective strategies are summarized, including material modification engineering of selective contacts, additives and interface engineering of interlayers, which can release mechanical stress and increase the power‐conversion efficiency (PCE) and recoverability of the FPSCs. The challenges of making high‐performance FPSCs with long‐term stability and high recoverability are discussed. Finally, future applications and perspectives for FPSCs are discussed, aiming to promote more extensive commercialization processes for lightweight and durable FPSCs.
Asymmetric Synthesis of Chiral‐at‐P Alkenylphosphonamidates through Nickel‐Catalyzed C−P Coupling of Phosphoramidites and Alkenyl Halides
Authors: Chen Xiao‐Bing , Padín Damián , Stindt Charlotte N. , Feringa Ben L. 
Published: June 2023

AbstractP‐stereogenic compounds are widely used as ligands in asymmetric catalysis and are present in a myriad of bioactive compounds and pharmaceuticals. Yet, their stereocontrolled preparation remains challenging. Herein, we report a novel strategy towards versatile chiral‐at‐P alkenylphosphonamidates through a one‐pot Ni‐catalyzed C−P coupling/diastereoselective hydrolysis of readily available phosphoramidites and alkenyl halides. Remarkably, a chemo‐ and diastereodivergent behavior was observed upon subtle changes in the reaction conditions. Additionally, selective derivatizations of chiral alkenylphosphonamidates demonstrate their versatility as building blocks for the synthesis of structurally diverse P‐stereogenic compounds.
Aza‐Dipyrrinate Stabilized Compounds with a Low‐Valent Main Group Element
Authors: Chandra Joshi Prakash , Kumar Singh Vivek , Shukla Pratima , Kumar Hemant , Shukla Jyoti , Mahawar Pritam , Singh Dharmendra , Nagendran Selvarajan 
Published: June 2023

AbstractThe possibility of using aza‐dipyrromethene (a‐DPM) ligands to stabilize compounds containing low‐valent main group elements is demonstrated through the isolation of germylenes, a‐DPM(p‐tol)GeCl (2), a‐DPM(Naph)GeCl (6), and a‐DPM(Naph)GeN(TMS)2 (7) (tol=tolyl, Naph=naphthyl). Because of the presence of the a‐DPM ligand, these germylenes exhibit an absorption maximum at around 640 nm, a highly red‐shifted value previously unknown for germylenes.
Male awareness of prostate cancer risk remains poor in relatives of women with germline variants in DNA‐repair genes
Authors: Fasulo Vittorio , Buffi NicolòMaria , Chiarelli Giuseppe , Lughezzani Giovanni , Zuradelli Monica , Ripamonti Carla Barbara , Barile Monica , Bianchi Paolo , Benetti Alessio , Paciotti Marco , Uleri Alessandro , Avolio Pier Paolo , Saita Alberto , Hurle Rodolfo , Maura Federica , Germagnoli Luca , Asselta Rosanna , Soldà Giulia , Casale Paolo , Lazzeri Massimo 
Published: June 2023

AbstractAbstractObjectiveThe aim of this study is to evaluate male awareness of developing prostate cancer (PCa) in families with germline DNA‐repair genes (DRG) variants.Materials and methodsData were collected from a prospective, monocentric cohort study. The study was conducted in a university hospital with a multidisciplinary approach to the patient (collaboration of the Departments of Oncology, Urology, Pathology, Radiology, and Medical Genetics Laboratory). We recruited healthy males, relatives of families of women with breast or ovarian cancer who tested positive for pathogenic variants (PVs) or likely pathogenic variants (LPVs) in DRGs. A dedicated PCa screening was designed and offered to men aged 35 to 69 years, based on early visits with digital rectal examination (DRE), prostate health index (PHI) measurement, multiparametric magnetic resonance imaging (mpMRI) and, if necessary, targeted/systematic prostate biopsies. The primary endpoint was to evaluate the willingness of healthy men from families with a DRG variants detected in female relatives affected with breast and/or ovarian cancer to be tested for the presence of familial PVs. The secondary endpoints were the acceptance to participate if resulted positive and compliance with the screening programme.ResultsOver 1256 families, of which 139 resulted positive for PVs in DRGs, we identified 378 ‘healthy’ men aged between 35 and 69 years old. Two hundred sixty‐one (69.0%) refused to be tested for DRG variants, 66 (17.5%) declared to have been previously tested, and 51 (13.5%) males were interested to be tested. Between those previously tested and those who accepted to be tested, 62 (53.0%) were positive for a DRG variant, and all of them accepted to participate in the subsequent surveillance steps. The main limitation is that is a single‐centre study and a short follow‐up.ConclusionsAll men tested positive for a DRG variants agreed to go under the surveillance scheme. However, only 31% of ‘men at risk’ (i.e., relative of a DRG variant carrier) expressed their willingness to be tested for the familial DRG variant. This observation strongly supports the urgent need to implement awareness of genetic risk for PCa within the male population.
Homozygous LOXL2 variant in individuals affected by non‐syndromic occipital encephalocele
Authors: Almazroea Abdulhadi 
Published: June 2023

AbstractBackgroundOccipital encephaloceles is a rare congenital defect in which meninges and the brain protrude out as a sac‐like structure through opening in the skull. The condition can result in neurologic complications as well as structural abnormalities of the skull. To the best of our knowledge, no genetic variant has been identified as an underlying cause of non‐syndromic occipital encephaloceles.MethodsIn this study, I report a family with 2 individuals having large occipital encephalocele. Clinical and radiological examination did not reveal any other neurological or skeletal manifestations in both affected individuals.ResultsExome sequencing detected the previously unreported homozygous single nucleotide duplication (NM_002318.3:c.64dupC) in LOXL2 gene. This is a nonsense variant (NP_002309.1:p.Leu22Profs*7) leading to a premature truncation and loss‐of‐function of the lysyl oxidase‐like 2 protein. The variant is segregating in an autosomal recessive manner in a family. Both parents are heterozygous carriers for the variant while unaffected sibs have wild type sequence.ConclusionWe hypothesize that LOXL2 is a potential candidate gene for occipital encephalocele due to the established role of LOXL3, a close paralog of LOXL2, in craniofacial development. This case illustrates the power of exome sequencing to establish genetic diagnosis and expands the spectrum of genetic defects in occipital encephalocele and related disorders.
Rigosertib is more potent than wortmannin and rapamycin against adult T‐cell leukemia‐lymphoma
Authors: Ghorbanzadeh Neghab Mohsen , Jalili‐Nik Mohammad , Soltani Arash , Afshari Amir R. , Hassanian Seyed Mahdi , Rafatpanah Houshang , Rezaee Seyed Abdolrahim , Sadeghnia Hamid R. , Ataei Azimi Sajad , Mashkani Baratali 
Published: June 2023

AbstractHuman T lymphotropic virus type 1 (HTLV‐1) infection can cause adult T‐cell lymphoblastic leukemia (ATLL), an incurable, chemotherapy‐resistant malignancy. In a quest for new therapeutic targets, our study sought to determine the levels of AKT, mTOR, and PI3K in ATLL MT‐2 cells, HTLV‐1 infected NIH/3T3 cells (Inf‐3T3), and HTLV‐1 infected patients (Carrier, HAM/TSP, and ATLL). Furthermore, the effects of rigosertib, wortmannin, and rapamycin on the PI3K/Akt/mTOR pathway to inhibit the proliferation of ATLL cells were examined. The results showed that mRNA expression of Akt/PI3K/mTOR was down‐regulated in carrier, HAM/TSP, and ATLL patients, as well as MT‐2, and Inf‐3T3 cells, compared to the healthy individuals and untreated MT‐2 and Inf‐3T3 as controls. However, western blotting revealed an increase in the phosphorylated and activated forms of AKT and mTOR. Treating the cells with rapamycin, wortmannin, and rigosertib decreased the phosphorylated forms of Akt and mTOR and restored their mRNA expression levels. Using these inhibitors also significantly boosted the expression of the pro‐apoptotic genes, Bax/Bcl‐2 ratio as well as the expression of the tumor suppressor gene p53 in the MT‐2 and Inf‐3T3cells. Rigosertib was more potent than wortmannin and rapamycin in inducing sub‐G1 and G2‐M cell cycle arrest, as well as late apoptosis in the Inf‐3T3 and MT‐2 cells. It also synergized the cytotoxic effects of vincristine. These findings demonstrate that HTLV‐1 downregulation of the mRNA level may occur as a negative feedback response to increased PI3K‐Akt‐mTOR phosphorylation by HTLV‐1. Therefore, using rigosertib alone or in combination with common chemotherapy drugs may be beneficial in ATLL patients.
Simultaneous quantitation of favipiravir and its hydroxide metabolite in human plasma and hamster matrices using a UPLC–MS/MS method
Authors: Bekegnran Cesar P. , Driouich Jean‐Selim , Breuer Judith , Barthelemy Karine , Giocanti Madeleine , de Lamballerie Xavier , Kreins Alexandra Y. , Nougairede Antoine , Solas Caroline 
Published: June 2023

AbstractFavipiravir, a broad‐spectrum RNA‐dependent RNA polymerase inhibitor, is currently being evaluated in preclinical and clinical studies for the treatment of various infectious diseases including COVID‐19. We developed an ultra‐performance liquid chromatography tandem mass spectrometry (UPLC–MS/MS) assay for the quantification of favipiravir and its hydroxide metabolite (M1), in human and hamster biological matrices. Analytes were separated on an Acquity UPLC HSS T3 column (2.1 × 100 mm, 1.8 μm) after a simple protein precipitation with acetonitrile. The mobile phase consisted of water and methanol, each containing 0.05% formic acid. Experiments were performed using electrospray ionization in the positive and negative ion mode, with protonated molecules used as the precursor ion and a total run time of 6 min. The MS/MS response was linear over the concentration ranges from 0.5–100 μg/ml for favipiravir and 0.25–30 μg/ml for M1. Intra‐ and inter‐day accuracy and precision were within the recommended limits of the European Medicines Agency guidelines. No significant matrix effect was observed, and the method was successfully applied to inform favipiravir dose adjustments in six immunocompromised children with severe RNA viral infections. In conclusion, the UPLC–MS/MS assay is suitable for quantification of favipiravir over a wide range of dosing regimens, and can easily be adapted to other matrices and species.
From lab to society: Fostering clinical translation of molecular systems engineering
Authors: da Silva Renan Gonçalves Leonel , Blasimme Alessandro 
Published: June 2023

AbstractOver the last decade, bioengineering has seen a sustained growth in scientific publications, patents, and clinical trials. As the field attempts to bridge the gap between discovery and clinical application, a broader societal dialogue is needed to build public trust and address potential ethical, societal, and regulatory challenges. In this essay, we discuss societal aspects linked to the clinical use of biomedical engineering approaches and technologies, with a specific focus on molecular systems engineering. Drawing on data from interviews with 24 scientists, we identified four key aspects for fostering societal support for translational efforts in this domain: (1) effective science communication and internal awareness; (2) open societal dialogue; (3) fair and equitable access to new technologies; and (4) adequate science and technology policies. We conclude that molecular systems engineering would benefit from anticipating future challenges with the view of building a robust bond of trust with lay publics, regulators, and society at large.
Substrate DNA length regulates the activity of TET 5‐methylcytosine dioxygenases
Authors: Bhattacharya Chayan , Dey Aninda Sundar , Mukherji Mridul 
Published: June 2023

AbstractThe ten‐eleven translocation (TET) isoforms (TET1‐3) play critical roles in epigenetic transcription regulation. In addition, mutations in the TET2 gene are frequently detected in patients with glioma and myeloid malignancies. TET isoforms can oxidize 5‐methylcytosine to 5‐hydroxymethylcytosine, 5‐formylcytosine, and 5‐carboxylcytosine, by iterative oxidation. The in vivo DNA demethylation activity of TET isoforms may depend on many factors including enzyme's structural features, its interaction with DNA‐binding proteins, chromatin context, DNA sequence, DNA length, and configuration. The rationale for this study is to identify the preferred DNA length and configuration in the substrates of TET isoforms. We have used a highly sensitive LC‐MS/MS‐based method to compare the substrate preference of TET isoforms. To this end, four DNA substrate sets (S1, S2, S3, S4) of different sequences were chosen. In addition, in each set, four different lengths of DNA substrates comprising 7‐, 13‐, 19‐, and 25‐mer nucleotides were synthesized. Each DNA substrate was further used in three different configurations, that is, double stranded symmetrically‐methylated, double stranded hemi‐methylated, and single stranded single‐methylated to evaluate their effect on TET‐mediated 5mC oxidation. We demonstrate that mouse TET1 (mTET1) and human TET2 (hTET2) have highest preference for 13‐mer dsDNA substrates. Increasing or decreasing the length of dsDNA substrate reduces product formation. In contrast to their dsDNA counterparts, the length of ssDNA substrates did not have a predictable effect on 5mC oxidation. Finally, we show that substrate specificity of TET isoforms correlates with their DNA binding efficiency. Our results demonstrate that mTET1 and hTET2 prefer 13‐mer dsDNA as a substrate over ssDNA. These results may help elucidate novel properties of TET‐mediated 5mC oxidation and help develop novel diagnostic tools to detect TET2 function in patients.
Perfluoro‐tert‐butyl Group‐Derived Capmatinib: Synthesis, Biological Evaluation and Its Application in 19F Magnetic Resonance Imaging
Authors: Zhang Xinnan , Wang Luting , Huang Ruimin , Wang Jingbo , Yan Qifan 
Published: June 2023

AbstractCapmatinib is an FDA‐approved drug to treat metastatic non‐small cell lung cancer with MET‐exon 14 skipping. Herein, the perfluoro‐tert‐butyl group, which possesses nine chemically identical fluorine atoms, was introduced on Capmatinib to afford a targeted 19F magnetic resonance imaging (MRI) probe, perfluoro‐tert‐butyl group‐derived Capmatinib (9F‐CAP). The 19F MRI concentration limit was found to be 25 mM in FLASH sequence. Molecular docking simulation, surface plasmon resonance (SPR) (with a Kd of 40.7 μM), half‐inhibitory concentration (with a IC50 of 168 nM), Annexin V, and cytotoxicity assays jointly demonstrated that the 9F‐CAP targeted cMET protein specifically. Therefore, the targeted imaging capability of 9F‐CAP is of great significance for the preoperative diagnosis of specific cancers.
Intestinal obstruction due to ligament arising from the distal end of Meckel's diverticulum: A case report
Authors: Dang Van Chuc , Tran Phan Ninh , Tran Minh Canh , Pham Van Thuc , Nguyen Thi Tuyet Nga 
Published: June 2023

AbstractIntestinal obstruction due to ligament (fibrous band) arising from the top of Meckel's diverticulum is a rare cause. To date, in the world, only a few cases have been reported and there are not enough statistics on the incidence of this disease. This case presentation will help doctors working in the field of pediatric surgery or of pediatric imaging diagnosis have more experiences on diagnosis and treatment, and enrich the medical literature on this rare disease. We report a case of an 8‐year‐old boy with intestinal obstruction due to ligament arising from Meckel's diverticulum with complete data set such as clinical manifestations, imaging diagnosis (ultrasound, unprepared abdominal x‐ray, computerized tomography scanner with contrast injection), surgical information, and histopathological findings. Intestinal obstruction due to the ligament arising from the apex of Meckel's diverticulum is an extremely rare disease and has asymptomatic imaging features so the preoperative diagnosis is only based on the indirect findings of computerized tomography scanner. The early diagnosis of an intestinal obstruction due to fibrous band can be made by using imaging methods such as ultrasound, unprepared abdominal x‐ray, computerized tomography scanner with contrast injection, contributing to the prompt diagnosis in order to avoid serious complications including bowel necrosis, intestinal perforation, and perforated diverticulum.
Properties and Phase Behavior of Water‐Tween‐Kerosene Microemulsions and Prediction of Their Viscosity
Authors: Zolfaghari Monireh , Nasiri Masoud , Haghighi Asl Ali 
Published: June 2023

AbstractMicroemulsion systems are of interest to researchers due to their low energy requirements and thermodynamic stability in a wide range of applications, including enhanced oil recovery, gas absorption, drug delivery, and chemical reaction environments. In this research, the viscosity of microemulsions was characterized and then predicted. Tween 20 and Tween 80 were used as surfactants and n‐butanol as co‐surfactant. Different types of prepared Winsor microemulsions were described using the phase diagram and then were evaluated regarding their viscosity, particle size, and electrical conductivity. The mean droplet size and viscosity of the microemulsion were 8–200 nm and 10.4–39.1 cp, respectively. Finally, a new equation is suggested to predict microemulsion viscosity as a function of the ratio of the dispersed phase fraction to the surfactant fraction.
Utilization of ultraviolet‐visible spectrophotometry in conjunction with wrapper method and correlated component regression for nitrite prediction outside the Beer–Lambert domain
Authors: NINI Meryem , Khoumri El Mati , Ait Layachi Omar , Nohair Mohamed 
Published: June 2023

AbstractThe determination of nitrite concentration is crucial due to its toxicity. A novel model has been developed to accurately determine nitrite concentration within the non‐linear range, utilizing the Zambelli method. Previously, techniques for measure nitrite concentration were primarily restricted to the linear range. This new method employs UV‐Visible absorption spectra and correlated component regression (CCR) to determine nitrite concentration within the range of 0.27–11.34 ppm. A wavelength selection strategy in conjunction with partial least squares (PLS) was implemented prior to applying CCR. The spectral data underwent pre‐processing using standard normal variant (SNV) and Savitzky Golay (SG) techniques, and a backward selection (BS) strategy with PLS was applied to select wavelengths. The 15 most sensitive wavelengths, determined through the RMSECV criterion, were utilized to create a PLS model within the range 377–497 nm, resulting in a model with R2C = 0.9999 and R2CV = 0.9999, RMSEC = 0.006, RMSECV = 0.027. A CCR model was then established using the 15selected wavelengths and nitrite concentration. The results yielded strong correlation between predicted and measured nitrite values with R2C = 0.9996, RMSEC = 4.7491 E‐15, RMSECV = 0.0004, and MAPE = 0.68%. The method has been validated through an accuracy profile, which demonstrates that 80% of future results will fall within the 10% acceptability limit within the validation range of 1.30–8.83 mg/L.
PROTOCOL: The impact of agricultural mechanisation on women's economic empowerment: A mixed‐methods systematic review
Authors: Masset Edoardo , Kapoor Malhotra Suchi , Gupta Neha , Bhandari Ratika , White Howard , MacDonald Heather , Puskur Ranjitha , Singaraju Niyati , Sharma Waddington Hugh 
Published: June 2023

AbstractThis is the protocol for a Campbell systematic review. The main objective of the review is to answer the following questions: What is the impact of mechanisation on agriculture? What is the impact of mechanisation on women's economic empowerment? The study will review the impact of mechanisation on labour demand and supply, land and labour productivity, farmers' incomes, health and women's empowerment. All literature will be considered, including nonintervention studies and studies not reporting gender‐disaggregated results.