bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis, structural characterization, density functional theory, anticancer, and antimicrobic studies of Ni2+ and Cu2+ complexes encompassing tridentate ONS‐donor azo‐thiosemicarbazone
Authors: Hassan Essam A. , Ebrahium Mohamad M. , Al‐Hakimi Ahmed N. 
Published: June 2024

This study focuses on the synthesis of azo‐thiosemicarbazone ligand, which is designed by reacting 2‐hydroxy‐5‐(phenyldiazenyl)benzaldehyde with hydrazine carbothioamide. Hence, this ligand was exploited for chelation with nickel and cupric salts in (1 M:1 L) molar ratio. These synthetics were structurally investigated using a variety of physical, analytical, and spectroscopic (1D/2D‐NMR, UV–Vis, FT‐IR, and E‐mass) tools as well as theoretically. The finding demonstrated that the resulting azo‐thiosemicarbazone (H4Azo‐TSC) bonded with the nickel and cupric ions as mono/di‐basic tridentate chelators, binding them via deprotonated phenolic oxygen, imino nitrogen, and thionic/thiol sulfur atoms adopting square planar geometry. The theoretical investigation was examined by DFT/B3LYP/LanL2dZ, including energetic parameters, HOMO‐LUMO energy gap, dipole moment, and geometrical optimization, which were applied to support the complexes' geometrical structure. The in vitro microbicidal activities of the azo‐thiosemicarbazone, compared with its Ni2+ and Cu2+ complexes, display superior activity over the metal complexes against different bacterial and fungal species. The anticancer efficacy of the synthetics was tested against human lung fibroblast (WI38) and mammary gland breast cancer (MCF‐7) compared with Doxorubicin as a standard drug. The cytotoxic efficiency of metallic complexes exceeded that of un‐chelated azo‐thiosemicarbazone. The most effective complex is Ni2+ complex with IC50 equal to 11.75 and 14.05 μg/ml, respectively. It has been demonstrated that Ni2+ and Cu2+ complexes are more biocompatible than free azo‐thiosemicarbazone; this finding may be related to the chelation process.
The effects of the contents of modified‐diatomite on the properties of modified‐diatomite/epoxy resin composites
Authors: Wang Huixiao , Lou Chunhua , Yu Jingjing , Yang Yuxin 
Published: June 2024

AbstractExternal plasticization is one of the effective ways to toughen epoxy resins. In this study, an inorganic filler (EMD) was prepared by chemical modification of diatomite and was used to fill epoxy resin matrix. The effects of different amounts (5%, 10%, 15%, and 20%) of raw diatomite (RD) and modified‐diatomite (EMD) on the mechanical and thermal properties of epoxy resin composites were studied. The mechanical results showed that the impact strength, tensile strength, and bending strength of EMD/EP were higher than those of RD/EP. The impact strength of EMD‐15/EP reached 5.39 KJ/m2, which was 36.8% higher than that of RD‐15/EP. Thermogravimetric analysis showed that the thermal stability of EMD/EP was better than that of RD/EP. The results of DMA show that the glass transition temperature of EMD/EP was lower than that of RD/EP. Non‐isothermal differential scanning calorimetry study showed that the apparent activation energy of EMD‐15/EP was much lower than that of RD‐15/EP, which proved that EMD could promote the curing of epoxy resin. The Malek method was used to determine that both the RD‐15/EP and EMD‐15/EP curing systems were autocatalytic (Šesták–Berggren) models.
Carbonated castor oil as a bioplasticiser and toughening agent for bisphenol a based epoxy
Authors: Dhore Nikhil , Kottaron Amaya Othayoth , Palanisamy Aruna , Narayan Ramanuj 
Published: June 2024

AbstractDiglycidyl ether of bisphenol A (DGEBA), a key intermediate for epoxy resins, provides strong adhesion, processability and the resulting thermoset boasts high cross linking density. However, the inherent brittleness and susceptibility to cracking restrict its advanced applications. To overcome these drawbacks, CO2 fixed cyclic carbonate from castor oil (CCO) was synthesized from epoxidised castor oil (ECO) and used in varying quantities as a toughening agent for amine cured DGEBA. Different amines have been utilized to cure the epoxy and to study the structure–property relationship by fixing the amount of CCO. The inclusion of 10% CCO resulted in improvement in the tensile strength, storage modulus, flexural modulus, and impact strength of the epoxy‐urethane hybrid. Moreover, the epoxy‐urethane networks had reduced cross linking density imparted by the fatty acid units of CCO and the presence of unreacted carbonate groups facilitated molecular movement, thereby contributing to energy dissipation during the deformation process. Further incorporation of the CCO lowers the mechanical properties of the hybrids due to a reduction in cross linking density. Trimethylolpropane tris[poly(propyleneglycol)amine terminated] ether cured system exhibited the highest thermal stability compared to hexamethylene diamine, isophorone diamine, and 4,7,10‐trioxa‐1,13 tridecanediamine. The Tg decreased as the CCO content increased, while the water contact angle increased.
Recent advances on quinoxalines as target‐oriented chemotherapeutic anticancer agents through apoptosis
Authors: Nafie Mohamed S. , Kahwash Shaima H. , Youssef Magdy M. , Dawood Kamal M. 
Published: June 2024

AbstractThe current review outlines all possible recent synthetic platforms to quinoxaline derivatives and the potent stimulated apoptosis mechanisms targeted by anticancer therapies. The currently reported results disclosed that quinoxaline derivatives had promising anticancer potencies against a wide array of cancer cell lines, better than the reference drugs, through target inhibition. This review summarizes some potent quinoxaline derivatives with their synthesis strategies and their potential activities against various molecular targets. Quinoxalines can be considered an important scaffold for apoptosis inducers in cancer cells through inhibiting some molecular targets, so they can be further developed as target‐oriented chemotherapeutics.
Multiparametric‐magnetic resonance imaging (mp‐MRI) of the prostate and Urolift: Identifying artefact size, location and clinical implications
Authors: Parkin Cameron James , Jyoti Rajeev , Chin Peter 
Published: June 2024

AbstractObjectivesWe sought to define the degree of artefact caused by prostatic urethral lift (PUL) on multiparametric‐magnetic resonance imaging (mp‐MRI) to determine the location, size of artefact and if the device could potentially obscure a diagnosis of prostate cancer.MethodsTen patients were prospectively enrolled to undergo PUL for treatment of benign prostatic hyperplasia and follow‐up imaging. A standard mp‐MRI protocol using a 3.0 Tesla scanner was performed prior to and following Urolift insertion. Pre‐ and post‐PUL images were compared to measure maximum artefact diameter around each implant in each MRI parameter. A transverse relaxation time weighted (T2) artefact reduction protocol was also evaluated. The location of each artefact was then compared to a separate database of 225 consecutive patients who underwent magnetic resonance guided prostate biopsies.ResultsArtefact occurred around the stainless steel urethral implant component only. Mean T2 artefact maximum diameter was 7.7 mm (sd = 1.71 mm), with an artefact reduction protocol reducing this to 5.4 mm (sd = 1.43). Mean dynamic‐contrast‐enhancement artefact was 10 mm (sd = 2.5 mm), and mean diffusion‐weighted‐imaging artefact was 28.2 mm (sd = 7.8 mm). All artefacts were confined to the posterior transition zone only. In the 225 consecutive patients who had undergone magnetic resonance guided prostate biopsies, there were 55 positive biopsies with prostate cancer, with 13 cases found in the transition zones and no cancer identified solely in the posterior transitional zone.ConclusionsThe stainless steel urethral component of the PUL does cause artefact, which is confined to the posterior transition zone only. PUL artefact occurs in an area of the prostate that has a very low incidence of a single focus of prostate cancer. If there is concern for prostate cancer in the posterior TZ (e.g. if every other area is clear with a high PSA), this area can undergo targeted biopsy.
Rodent anogenital distance recommendations
Authors: Wise L. David 
Published: June 2024

AbstractBackgroundMeasurement of rat anogenital distance (AGD) dates to at least 1912. Increased interest in endocrine disrupting chemicals and the use of AGD as a biomarker for fetal androgen effects have increased the number of studies with this endpoint in recent decades. A literature review revealed different landmarks, methods of measurement, and methods to adjust for body weight differences. AGD is often reported to hundredths of millimeters and as such, deserves precision in all these aspects. This paper presents recommendations for the measurement and analysis of rodent AGD.MethodsLiterature and regulatory guidance documents that mentioned or measured rodent AGD were reviewed. Four adjustment methods were evaluated using available online data from three rat studies each with two generations of offspring.ResultsTabulation of studies reveals that species/stocks and time of data collection, but more importantly anatomical landmarks and methods of measurement have produced a variety of results which are difficult to compare. Not all studies have adjusted for test article effects on body weight (and thus size). The four adjustment methods were fairly comparable.ConclusionRecommendations are as follows. A microscopic method should be used to measure AGD of late rodent fetuses and early postnatal pups. The caudal edge of the genital tubercle and the cranial edge of the anus are clear and identifiable landmarks. The simplest adjustment is to divide individual AGDs by the cube root of animals’ body weight. These recommendations will help ensure data consistency and accuracy, and facilitate meaningful comparisons across laboratories and chemical classes.
Effectiveness of educational interventions: An ecological systems analysis of initiatives from the UK opportunity areas programme
Authors: Spear Sara , Kirkman Phil 
Published: June 2024

AbstractGovernment interventions to address inequalities in education are common in the United Kingdom and internationally. Whilst there is a tendency for policy discourse to focus on benchmarks and indicators as measures of educational success, the inclusiveness and effectiveness of government interventions in education has been questioned. This paper uses the ecological systems perspective as a way of analysing how government interventions may, or may not, lead to real impact on young people's educational outcomes. Two case studies are presented on projects funded as part of the opportunity areas (OA) programme in England to tackle barriers to learning for young people: Ipswich ‘Learning Behaviour Leads’ and Norwich ‘Engagement Coaches’. The research team carried out an evaluation of these projects in seven schools, using a mixed methods approach which involved interviews and reflective journals by the staff delivering the projects (n = 7), interviews with members of the school senior leadership teams (n = 7), an online survey with teachers (n = 23) and focus groups with young people involved in the projects (n = 14). The evaluation found that although there was shared understanding of the purpose and priorities of the OA programme between the macro and exosystems, there were tensions between these and the microsystem, and a lack of interconnection with the mesosystem. Whilst the projects benefited the young people involved, they fell short of the initial intentions to foster engagement amongst the most at‐risk groups, and failed to address the macro aims of fostering a pan‐system response.
Development of growth selection system and pocket engineering of d‐amino acid oxidase to enhance selective deamination activity toward d‐phosphinothricin
Authors: Cheng Feng , Sun Ke‐Xiang , Gong Xiao‐Xiao , Peng Wei , Zhang Hua‐Yue , Liang Xi‐Hang , Xue Ya‐Ping , Zheng Yu‐Guo 
Published: June 2024

AbstractD‐amino acid oxidase (DAAO)‐catalyzed selective oxidative deamination is a very promising process for synthesizing l‐amino acids including l‐phosphinothricin (l‐PPT, a high‐efficiency and broad‐spectrum herbicide). However, the wild‐type DAAO's low activity toward unnatural substrates like d‐phosphinothricin (d‐PPT) hampers its application. Herein, a DAAO from Caenorhabditis elegans (CeDAAO) was screened and engineered to improve the catalytic potential on d‐PPT. First, we designed a novel growth selection system, taking into account the intricate relationship between the growth of Escherichia coli (E. coli) and the catalytic mechanism of DAAO. The developed system was used for high‐throughput screening of gene libraries, resulting in the discovery of a variant (M6) with significantly increased catalytic activity against d‐PPT. The variant displays different catalytic properties on substrates with varying hydrophobicity and hydrophilicity. Analysis using Alphafold2 modeling and molecular dynamic simulations showed that the reason for the enhanced activity was the substrate‐binding pocket with enlarged size and suitable charge distribution. Further QM/MM calculations revealed that the crucial factor for enhancing activity lies in reducing the initial energy barrier of the reductive half reaction. Finally, a comprehensive binding‐model index to predict the enhanced activity of DAAO toward d‐PPT, and an enzymatic deracemization approach was developed, enabling the efficient synthesis of l‐PPT with remarkable efficiency.
Atrial septal interventions during and after hybrid stage I palliation of hypoplastic left heart syndrome
Authors: Thomas Courtney , Sower Christopher Todd , Romano Jennifer C. , Balasubramanian Sowmya , Yu Sunkyung , Lowery Ray , Zampi Jeffrey D. 
Published: June 2024

AbstractBackgroundHybrid stage I palliation (HS1P) is an alternative approach for initial palliation in hypoplastic left heart syndrome (HLHS) patients. Unlike surgical stage I palliation where atrial septectomy is routinely performed, atrial septal intervention (ASI) during HS1P is variable. In this study, we described our experience with ASI in single ventricle (SV) patients who underwent HS1P and identified factors associated with need for ASI after HS1P.MethodsData were retrospectively collected for all HLHS patients who underwent HS1P at our center over the past 12 years. We evaluated ASIs performed during the HS1P (intra‐HS1P ASI) and ASIs performed during the period from HS1P to the subsequent surgical stage, either interval Norwood stage I or comprehensive stage II (post‐HS1P ASI). Patient factors and procedural data were compared to identify factors associated with undergoing post‐HS1P ASI and the impact of ASI on patient outcomes was evaluated.ResultsOf 50 SV patients included, 23 (46%) underwent intra‐HS1P ASI and 26 (52%) underwent post‐HS1P ASI. Need for post‐HS1P ASI was lower among patients who had an intra‐HS1P ASI as compared to those who did not (30% vs. 70%; p = 0.005). There were no significant differences in short or Midterm outcomes between patients who underwent intra‐HS1P ASI or post‐HS1P ASI and their counterparts.ConclusionsASI is common both during and after HS1P but is generally well tolerated and type of ASI does not significantly impact overall patient outcomes. Our findings suggest that the current approach of individualizing management of ASI in the HS1P population is effective and safe.
Cerebral venous sinus thrombosis in patient of immune thrombocytopenic purpura managed with mechanical thrombectomy: An anecdotal endovascular experience from lower middle income country
Authors: Ghimire Sagun , Shrestha Shikher , Shrestha Dinuj , Ranabhat Kajan , Bhattarai Suman , Maharjan Ananta , Jaiswal Bibek , Chaudhary Prabin 
Published: June 2024

Key Clinical MessageCerebral venous sinus thrombosis in itself is rarely encountered clinical entity and its association with immune thrombocytopenic purpura (ITP) makes it more unusual presentation. No any as such standard guidelines exist that guides the prompt evidence based management in such concurrent cases but neuroendovascular modality can play a pivotal role.
Transorbital penetrating intracranial injury involving bilateral frontal lobes with evisceration of right eye: A case report
Authors: Siddiqui Abdul Rehman , Kariem Kaiser , Fayaz Mohsin , Scalia Gianluca , Chaurasia Bipin 
Published: June 2024

Key Clinical MessageTimely diagnosis, multidisciplinary surgical intervention, and appropriate imaging are crucial in managing transorbital‐penetrating intracranial injuries (TOPIs), minimizing morbidity, and optimizing patient outcomes.AbstractTransorbital‐penetrating intracranial injuries (TOPIs) are rare occurrences with potential for severe neurological complications and high mortality rates. Prompt diagnosis and management are essential to mitigate adverse outcomes. Understanding injury patterns and employing appropriate imaging modalities are crucial for effective surgical planning and patient care. We present a case of a 22‐year‐old male mechanic who sustained a TOPI involving bilateral frontal lobes with evisceration of the right eye following a workplace accident with a metal cutter. Upon arrival at the emergency department, the patient exhibited vision loss in the right eye, proptosis, and a dilated pupil. Imaging studies revealed the trajectory of a metal arrow through the right orbital roof, necessitating surgical intervention. A multidisciplinary team performed bifrontal craniectomy with duroplasty to remove the foreign body and address associated injuries. Postoperatively, the patient received broad‐spectrum antibiotics and anticonvulsants, leading to full recovery and discharge on postoperative day 10. TOPIs present unique challenges due to their rarity and potential for devastating consequences. Our case highlights the importance of timely diagnosis, meticulous surgical planning, and multidisciplinary collaboration in achieving favorable outcomes. Radiological imaging plays a crucial role in guiding treatment decisions and optimizing patient care. This report underscores the significance of early surgical intervention, antimicrobial therapy, and prophylactic measures in reducing morbidity and mortality associated with TOPIs.
Heart failure due to peripartum cardiomyopathy presenting in the first week of puerperium—A case series from Nepal
Authors: Banmala Sabin , Awal Shila , Bata Lokendra , Adhikari Priya , Basnet Sarita , Chaudhary Babita 
Published: June 2024

Key Clinical MessagePeripartum cardiomyopathy (PPCM) is a rare cause of heart failure associated with pregnancy without any other known cause. With a prognosis that can vary from the complete recovery of left ventricular function to maternal mortality as well as recurrence with subsequent pregnancies, early diagnosis and treatment of PPCM is important in management. Bromocriptine treatment is beneficial effects on LVEF and mortality in women with severe acute PPCM in addition to standard heart failure therapy. However, further study is required to establish its effect in PPCM.AbstractPeripartum cardiomyopathy (PPCM) is a rare cause of heart failure associated with pregnancy without any other known cause. Most of the clinical presentation is similar to symptoms of advanced pregnancy making the diagnosis difficult. Reported are three patients who developed dyspnea, orthopnea, and dry cough during the first week of puerperium. On examination, bilateral lower limb edema and bilateral basal lung crepitation were present in all patients. Chest radiograph showed pulmonary edema in cases two and three, and pleural effusion in case one. All patients had reduced left ventricular ejection fraction and raised N‐terminal pro‐b‐type natriuretic peptide (NT‐proBNP) levels. Case two developed PPCM in the background of left pyelonephritis. Case three was complicated by acute kidney injury. All patients were managed with bromocriptine, diuretics, beta‐blockers, ACE inhibitors, and fluid restriction. Hence, PPCM though rare should be considered as a differential in women presenting with features of heart failure in later months of pregnancy or within 5 months of delivery.
Enoyl coenzyme a hydratase 1 attenuates aortic valve calcification by suppressing Runx2 via Wnt5a/Ca2+ pathway
Authors: Rao Caijun , Liu Baoqing , Qin Haojie , Du Zhipeng 
Published: June 2024

AbstractThe morbidity and death rates of calcified aortic valves|calcific aortic valve (CAV) disease (CAVD) remain high for its limited therapeutic choices. Here, we investigated the function, therapeutic potential, and putative mechanisms of Enoyl coenzyme A hydratase 1 (ECH1) in CAVD by various in vitro and in vivo experiments. Single‐cell sequencing revealed that ECH1 was predominantly expressed in valve interstitial cells and was significantly reduced in CAVs. Overexpression of ECH1 reduced aortic valve calcification in ApoE−/− mice treated with high cholesterol diet, while ECH1 silencing had the reverse effect. We also identified Wnt5a, a noncanonical Wnt ligand, was also altered when ECH1 expression was modulated. Mechanistically, we found that ECH1 exerted anti‐calcific actions through suppressing Wnt signaling, since CHIR99021, a Wnt agonist, may significantly lessen the protective impact of ECH1 overexpression on the development of valve calcification. ChIP and luciferase assays all showed that ECH1 overexpression prevented Runx2 binding to its downstream gene promoters (osteopontin and osteocalcin), while CHIR99021 neutralized this protective effect. Collectively, our findings reveal a previously unrecognized mechanism of ECH1‐Wnt5a/Ca2+ regulation in CAVD, implying that targeting ECH1 may be a potential therapeutic strategy to prevent CAVD development.
Direct Methane Conversion to Acetic Acid: From Homogeneous Catalysis to Heterogeneous Catalysis
Authors: Xu Weibin , Wang Zhen , Huang Chuande , Wang Xiaodong 
Published: June 2024

AbstractDirect methane conversion to acetic acid (DMCAA) offers a promising approach for transforming the abundant CH4 resources to value‐added chemicals, eliminating the multi‐step processes involving syngas generation and methanol carbonylation in traditional industrial routes. However, this reaction still faces great challenges, which primarily due to the stable C−H bond of methane and the difficulty in avoiding the over‐oxidation of products. Extensive researches have been conducted on the DMCAA process using different catalytic systems. This review summarizes the progress made in this field over the past decades and categorizes the research achievements according to homogeneous and heterogeneous systems, encompassing the investigations on catalytic mechanisms. Furthermore, the challenges and potential solutions in this field are discussed, which could provide valuable guidance for developing prospective catalysts towards DMCAA.
Constrution of Quinazoline‐Linked Covalent Organic Frameworks via a Multicomponent Reaction for Photocatalysis
Authors: Yu Song‐Chen , Li Xiaohu , Cheng Liang , Liu Li 
Published: June 2024

AbstractQuinazoline (Qz)‐linked covalent organic frameworks (COFs) have been constructed via a three‐component reaction of ortho‐acylanilines, benzaldehydes and NH4OAc. The structure of Qz‐COFs has been confirmed by solid‐state nuclear magnetic resonance spectroscopy, Fourier transform infrared and powder X‐ray diffraction patterns. The Qz‐COFs possess high chemical stability, showing good endurance to strong acid, strong base, oxidant, reductant and other conditions. Particularly, Qz‐COF‐3 can catalyze the aerobic photooxidation of toluene and other compounds containing C(sp3)−H bonds.