bluuebunny/crossref_metadata_2025_split huggingface dataset:
Low-Value Surgical Procedures in Low- and Middle-Income Countries
Authors: Albarqouni Loai , Abukmail Eman , MohammedAli Majdeddin , Elejla Sewar , Abuelazm Mohamed , Shaikhkhalil Hosam , Pathirana Thanya , Palagama Sujeewa , Effa Emmanuel , Ochodo Eleanor , Rugengamanzi Eulade , AlSabaa Yousef , Ingabire Ale , Riwa Francis , Goraya Burhan , Bakhit Mina , Clark Justin , Arab-Zozani Morteza , Alves da Silva Suzanna , Pramesh C. S. , Vanderpuye Verna , Lang Eddy , Korenstein Deborah , Born Karen , Tabiri Stephen , Ademuyiwa Adesoji , Nabhan Ashraf , Moynihan Ray 
Published: November 2023

ImportanceOveruse of surgical procedures is increasing around the world and harms both individuals and health care systems by using resources that could otherwise be allocated to addressing the underuse of effective health care interventions. In low- and middle-income countries (LMICs), there is some limited country-specific evidence showing that overuse of surgical procedures is increasing, at least for certain procedures.ObjectivesTo assess factors associated with, extent and consequences of, and potential solutions for low-value surgical procedures in LMICs.Evidence ReviewWe searched 4 electronic databases (PubMed, Embase, PsycINFO, and Global Index Medicus) for studies published from database inception until April 27, 2022, with no restrictions on date or language. A combination of MeSH terms and free-text words about the overuse of surgical procedures was used. Studies examining the problem of overuse of surgical procedures in LMICs were included and categorized by major focus: the extent of overuse, associated factors, consequences, and solutions.FindingsOf 4276 unique records identified, 133 studies across 63 countries were included, reporting on more than 9.1 million surgical procedures (median per study, 894 [IQR, 97-4259]) and with more than 11.4 million participants (median per study, 989 [IQR, 257-6857]). Fourteen studies (10.5%) were multinational. Of the 119 studies (89.5%) originating from single countries, 69 (58.0%) were from upper-middle–income countries and 30 (25.2%) were from East Asia and the Pacific. Of the 42 studies (31.6%) reporting extent of overuse of surgical procedures, most (36 [85.7%]) reported on unnecessary cesarean delivery, with estimated rates in LMICs ranging from 12% to 81%. Evidence on other surgical procedures was limited and included abdominal and percutaneous cardiovascular surgical procedures. Consequences of low-value surgical procedures included harms and costs, such as an estimated US $3.29 billion annual cost of unnecessary cesarean deliveries in China. Associated factors included private financing, and solutions included social media campaigns and multifaceted interventions such as audits, feedback, and reminders.Conclusions and RelevanceThis systematic review found growing evidence of overuse of surgical procedures in LMICs, which may generate significant harm and waste of limited resources; the majority of studies reporting overuse were about unnecessary cesarean delivery. Therefore, a better understanding of the problems in other surgical procedures and a robust evaluation of solutions are needed.
Integrating Melt Electrowriting and Fused Deposition Modeling to Fabricate Hybrid Scaffolds Supportive of Accelerated Bone Regeneration
Authors: Eichholz Kian F. , Pitacco Pierluca , Burdis Ross , Chariyev‐Prinz Farhad , Barceló Xavier , Tornifoglio Brooke , Paetzold Ryan , Garcia Orquidea , Kelly Daniel J 
Published: November 2023

AbstractEmerging additive manufacturing (AM) strategies can enable the engineering of hierarchal scaffold structures for guiding tissue regeneration. Here, the advantages of two AM approaches, melt electrowriting (MEW) and fused deposition modelling (FDM), are leveraged and integrated to fabricate hybrid scaffolds for large bone defect healing. MEW is used to fabricate a microfibrous core to guide bone healing, while FDM is used to fabricate a stiff outer shell for mechanical support, with constructs being coated with pro‐osteogenic calcium phosphate (CaP) nano‐needles. Compared to MEW scaffolds alone, hybrid scaffolds prevent soft tissue collapse into the defect region and support increased vascularization and higher levels of new bone formation 12 weeks post‐implantation. In an additional group, hybrid scaffolds are also functionalized with BMP2 via binding to the CaP coating, which further accelerates healing and facilitates the complete bridging of defects after 12 weeks. Histological analyses demonstrate that such scaffolds support the formation of well‐defined annular bone, with an open medullary cavity, smooth periosteal surface, and no evidence of abnormal ectopic bone formation. These results demonstrate the potential of integrating different AM approaches for the development of regenerative biomaterials, and in particular, demonstrate the enhanced bone healing outcomes possible with hybrid MEW‐FDM constructs.
Turing Instability of Liquid–Solid Metal Systems
Authors: Xing Zerong , Zhang Genpei , Gao Jianye , Ye Jiao , Zhou Zhuquan , Liu Biying , Yan Xiaotong , Chen Xueqing , Guo Minghui , Yue Kai , Li Xuanze , Wang Qian , Liu Jing 
Published: November 2023

AbstractThe classical Turing morphogenesis often occurs in nonmetallic solution systems due to the sole competition of reaction and diffusion processes. Here, this work conceives that gallium (Ga) based liquid metals (LMs) possess the ability to alloy, diffuse, and react with a range of solid metals (SMs) and thus should display Turing instability leading to a variety of nonequilibrium spatial concentration patterns. This work discloses a general mechanism for obtaining labyrinths, stripes, and spots‐like stationary Turing patterns in the LM–SM reaction‐diffusion systems (GaX‐Y), taking the gallium indium alloy and silver substrate (GaIn‐Ag) system as a proof of concept. It is only when Ga atoms diffuse over Y much faster than X while X reacts with Y preferentially, that Turing instability occurs. In such a metallic system, Ga serves as an inhibitor and X as an activator. The dominant factors in tuning the patterning process include temperature and concentration. Intermetallic compounds contained in the Turing patterns and their competitive reactions have also been further clarified. This LM Turing instability mechanism opens many opportunities for constructing microstructure systems utilizing condensed matter to experimentally explore the general morphogenesis process.
Contemporary Approaches for Amide Bond Formation
Authors: Acosta‐Guzmán Paola , Ojeda‐Porras Andrea , Gamba‐Sánchez Diego 
Published: November 2023

AbstractAmide bond construction has garnered significant interest in recent decades due to amides being one of the most prevalent functional groups among bioactive molecules. Out of the thirty‐seven new drugs approved by the FDA in 2022, eleven are small molecules containing at least one amide bond. Additionally, there are nineteen large molecules approved as new drugs, some of which have peptide structures, and therefore, also bear amide bonds. In recent years, multiple teams have embraced the challenge of developing more efficient methods for amide bond formation. This dedication has led to numerous publications appearing monthly in prestigious journals, showcasing significant advancements in this field. The primary goal of this review is to present the most viable strategies for constructing the amide bond. It is crucial to differentiate between amide bond formation and amide synthesis; hence, the focus is on describing specific methods for forming new C(O)−N bonds. In particular, this review concentrates on the methods developed within the last six years. There is a particular emphasis on new approaches that consider the thought process when selecting the starting materials and functional groups. This approach ensures coverage of all the most common chemical transformations that yield new amide bonds.
Liposomal Antibiotic Booster Potentiates Carbapenems for Combating NDMs‐Producing Escherichiacoli
Authors: Wu Sixuan , Wei Yongbin , Wang Yang , Zhang Zhenzhong , Liu Dejun , Qin Shangshang , Shi Jinjin , Shen Jianzhong 
Published: November 2023

AbstractInfections caused by Enterobacterales producing New Delhi Metallo‐β‐lactamases (NDMs), Zn(II)‐dependent enzymes hydrolyzing carbapenems, are difficult to treat. Depriving Zn(II) to inactivate NDMs is an effective solution to reverse carbapenems resistance in NDMs‐producing bacteria. However, specific Zn(II) deprivation and better bacterial outer membrane penetrability in vivo are challenges. Herein, authors present a pathogen‐primed liposomal antibiotic booster (M‐MFL@MB), facilitating drugs transportation into bacteria and removing Zn(II) from NDMs. M‐MFL@MB introduces bismuth nanoclusters (BiNCs) as a storage tank of Bi(III) for achieving ROS‐initiated Zn(II) removal. Inspired by bacteria‐specific maltodextrin transport pathway, meropenem‐loaded BiNCs are camouflaged by maltodextrin‐cloaked membrane fusion liposome to cross the bacterial envelope barrier via selectively targeting bacteria and directly outer membrane fusion. This fusion disturbs bacterial membrane homeostasis, then triggers intracellular ROS amplification, which activates Bi(III)‐mediated Zn(II) replacement and meropenem release, realizing more precise and efficient NDMs producer treatment. Benefiting from specific bacteria‐targeting, adequate drugs intracellular accumulation and self‐activation Zn(II) replacement, M‐MFL@MB rescues all mice infected by NDM producer without systemic side effects. Additionally, M‐MFL@MB decreases the bacterial outer membrane vesicles secretion, slowing down NDMs producer's transmission by over 35 times. Taken together, liposomal antibiotic booster as an efficient and safe tool provides new strategy for tackling NDMs producer‐induced infections.
Quinolinoacridine as High Efficiency Building Unit in Single‐Layer Phosphorescent Organic Light‐Emitting Diodes
Authors: Brouillac Clément , Lucas Fabien , Ari Denis , Tondelier Denis , Meot Jonathan , Malvaux Marc , Jadaud Cyril , Lebreton Christophe , Rault‐Berthelot Joëlle , Quinton Cassandre , Jacques Emmanuel , Poriel Cyril 
Published: November 2023

AbstractThe performances of simplified single‐layer phosphorescent organic light‐emitting diodes (SL‐PhOLEDs) have significantly increased and they now appear to be a promising alternative to multi‐layer PhOLEDs. The blue and white emissions, far more challenging than all the other colours, are still particularly desired. Herein, a high efficiency host material for blue emitting SL‐PhOLED using the blue emitter FIr6 is reported, which is particularly interesting as it displays an emission at shorter wavelengths than the well‐known FIrpic emitter, almost exclusively reported in the SL‐PhOLEDs literature. The host material investigated herein is constructed on the electron‐rich quinolinoacridine and displays when incorporated in FIr6‐based SL‐PhOLEDs, an external quantum efficiency (EQE)⟩10% and a low Von of 3.1 V. This is the first work passing an EQE of 10% with FIr6 as an emitter. This host also reaches a very high EQE of 19% when used with the green emitter Ir(ppy)2acac, this performance being among the highest recorded for green SL‐PhOLEDs. Finally, as white SL‐PhOLEDs involve blue emitting SL‐PhOLEDs, this host is also used with a combination of blue and yellow emitters. An extremely high EQE of 24% is reached with CIE coordinates of (0.40;0.48). These findings show the real potential of the quinolinoacridine fragment to reach high performance multi‐colour SL‐PhOLEDs.
Furan‐modified thiadiazolo quinoxaline as an electron acceptor for constructing second near‐infrared aggregation‐induced emission fluorophores for beyond 1300 nm fluorescence/photoacoustic imaging and photothermal therapy
Authors: Liang Mengke , Liu Luyu , Sun Ying , Li Jia , Zhang Ling'e , Jiang Xiqun , Wu Wei 
Published: November 2023

AbstractCreation of new fluorophores is important for understanding the structure–property relationship, by which the required optical properties are likely to be attained. Herein, through theory calculation, it is found that furan‐modified thiadiazolo quinoxaline acting as an electron acceptor can endow donor–acceptor–donor (D–A–D) type second near‐infrared (NIR‐II) fluorophores with longer emission wavelength than the other thiadiazolo quinoxaline‐based acceptors containing pyridine, pyrrole, thiophene, and phenyl groups, respectively. On the basis of this theoretical prediction, a D–A–D type NIR‐II fluorophore with 6,7‐di(furan‐2‐yl)‐[1,2,5]thiadiazolo[3,4‐g] quinoxaline (DFTQ) as the acceptor and dithieno[3,2‐b:2′,3′‐d]pyrrole (DTP) as the donor is designed and synthesized, and the aggregation‐induced emission (AIE) function is further achieved by introducing the AIE units of tetraphenylethylene (TPE) and triphenylamine (TPA), respectively, totally forming three NIR‐II fluorophores DFTQ–DTP, DFTQ–DTPE, and DFTQ–DTPA. For biological applications, the fluorophores are encapsulated by amphiphilic DSPE–PEG2000 to generate water‐dispersible nanoparticles (NPs). Almost the whole emission of each of the NPs falls into the NIR‐II spectral range, with part emission beyond 1300 nm. By using DFTQ–DTPA NPs as the contrast and photothermal therapy (PTT) agent, high‐resolution in vivo fluorescence imaging is achieved in the greater than 1300 nm window, and their good performance in photoacoustic imaging and high tumor PTT efficacy in tumor‐bearing mice are also demonstrated. Taken together, this work mainly provides a strong electron acceptor for constructing long‐emitting fluorophores, and by using the electron acceptor, a AIE fluorophore with desirable quantum yield (QY) and photothermal conversion efficienciy (PCE) is synthesized and demonstrated to be promising in fluorescence/photoacoustic imaging and PTT.
Photo‐Driven Quasi‐Topological Transformation Exposing Highly Active Nitrogen Cation Sites for Enhanced Photocatalytic H2O2 Production
Authors: Hao Feini , Yang Chao , Lv Ximeng , Chen Fangshuai , Wang Shengyao , Zheng Gengfeng , Han Qing 
Published: November 2023

AbstractHerein, the exposure of highly‐active nitrogen cation sites has been accomplished by photo‐driven quasi‐topological transformation of a 1,10‐phenanthroline‐5,6‐dione‐based covalent organic framework (COF), which contributes to hydrogen peroxide (H2O2) synthesis during the 2‐electron O2 photoreduction. The exposed nitrogen cation sites with photo‐enhanced Lewis acidity not only act as the electron‐transfer motor to adjust the inherent charge distribution, powering continuous and stable charge separation, and broadening visible‐light adsorption, but also providing a large number of active sites for O2 adsorption. The optimal catalyst shows a high H2O2 production rate of 11965 μmol g−1 h−1 under visible light irradiation and a remarkable apparent quantum yield of 12.9 % at 400 nm, better than most of the previously reported COF photocatalysts. This work provides new insights for designing photo‐switchable nitrogen cation sites as catalytic centers toward efficient solar to chemical energy conversion.
Iron‐Catalyzed Stereoconvergent 1,4‐Hydrosilylation of Conjugated Dienes
Authors: Sun Wei , Hu Meng‐Yang , Lu Zhan‐Sheng , Huang Ming‐Yao , Zhang Xin‐Yu , Zhu Shou‐Fei 
Published: November 2023

AbstractStereoconvergent transformation of E/Z mixtures of olefins to products with a single steric configuration is of great practical importance but hard to achieve. Herein, we report an iron‐catalyzed stereoconvergent 1,4‐hydrosilylation reactions of E/Z mixtures of readily available conjugated dienes for the synthesis of Z‐allylsilanes with high regioselectivity and exclusive stereoselectivity. Mechanistic studies suggest that the reactions most likely proceed through a two‐electron redox mechanism. The stereoselectivity of the reactions is ultimately determined by the crowded reaction cavity of the α‐diimine ligand‐modified iron catalyst, which forces the conjugated diene to coordinate with the iron center in a cis conformation, which in turn results in generation of an anti‐π‐allyl iron intermediate. The mechanism of this stereoconvergent transformation differs from previously reported mechanisms of other related reactions involving radicals or metal‐hydride species.
Water‐Induced Micro‐Hydrophobic Effect Regulates Benzene Methylation in Zeolite
Authors: Wang Chao , Chu Yueying , Xiong Danfeng , Wang Haifeng , Hu Min , Wang Qiang , Xu Jun , Deng Feng 
Published: November 2023

AbstractWater is a ubiquitous component in heterogeneous catalysis over zeolites and can significantly influence the catalyst performance. However, the detailed mechanism insights into zeolite‐catalyzed reactions under microscale aqueous environment remain elusive. Here, using multiple dimensional solid‐state NMR experiments coupled with ultrahigh magic angle spinning technique and theoretical simulations, we establish a fundamental understanding of the role of water in benzene methylation over ZSM‐5 zeolite under water vapor conditions. We show that water competes with benzene for the active sites of zeolite and facilitates the bimolecular reaction mechanism. The growth of water clusters induces a micro‐hydrophobic effect in zeolite pores, which reorients benzene molecules and drives their interactions with surface methoxy species (SMS) on zeolite. We identify the formation and evolution of active SMS‐Benzene complexes in a microscale aqueous environment and demonstrate that their accumulation in zeolite pores boosts benzene conversion and methylation.
Natural flavonoids as promising 6‐phosphogluconate dehydrogenase inhibitor candidates: In silico and in vitro assessments
Authors: Adem Şevki , Yırtıcı Ümit , Aydın Mesut , Rawat Ravi , Eyüpoğlu Volkan 
Published: November 2023

AbstractThe primary strategy in the fight against cancer is to screen compounds that may be effective on different types of cancer. Compounds from plants seem to be a good source. The present study investigated the inhibitory effects of some flavonoids on the 6‐phosphogluconate dehydrogenase (6‐PGD) enzyme. We determined that quercetin, myricetin, fisetin, morin, apigenin, and baicalein exhibited powerful inhibition effects with IC50 values between 4.08 and 21.26 µM, while luteolin, kaempferol, apiin, galangin, and baicalin showed moderate effects with IC50 values between 54.15 and 138.91 µM. Quercetin competitively inhibited the binding of NADP and 6‐phosphogluconate to the 6‐PGD enzyme with Ki values of 0.527 ± 0.251 and 0.374 ± 0.138 µM, respectively. We calculated Ki values using the Cheng–Prusoff equation as between 0.44 and 14.88 µM. The possible interaction details of polyphenols with the active site of 6‐PGD were analyzed with docking software. In silico and in vitro studies indicated that the –OH groups on the A and C ring of flavonoids bind to the enzyme's active site via hydrogen bonding, while the –OH groups on the C ring contributed significantly to the increase in the inhibitory potentials of the molecules. Molecular dynamic simulations tested the stability of the 6‐PGD‐quercetin complex during 100 ns. These phytochemicals were suitable for drug use when optimized with absorption, distribution, metabolism, excretion, and toxicity (ADMET) criteria. The effects of the studied compounds on cancer cell lines of potential targets were demonstrated by network analysis. In conclusion, this study suggests that flavonoids found to be potent inhibitors could serve as leading candidates to treat many cancers via 6‐PGD inhibition.
Pancreatic index: A prognostic factor of upfront surgery for body or tail pancreatic ductal adenocarcinoma with vascular involvement—A retrospective study
Authors: Qian Lihan , Li Jingfeng , Sun Yanjun , Chai Weimin , Deng Xiaxing , Wang Weishen , Shen Baiyong 
Published: November 2023

AbstractBackgroundThe pancreatic index (PI) is a useful preoperative imaging predictor for pancreatic ductal adenocarcinoma (PDAC). In this retrospective study, we determined the predictive effect of PI to distinguish patients of pancreatic body/tail cancer (PBTC) with vascular involvement who can benefit from upfront surgery.MethodAll patients who received distal pancreatectomy for PDAC from 2016 to 2020 at the Pancreatic Disease Center, Ruijin Hospital, Shanghai Jiaotong University School of Medicine were considered for the study. A total of 429 patients with PBTC were assessed in relation to the value of PI. Fifty‐five patients were eventually included and divided into low PI group and 29 patients in the normal PI group.ResultsThe median overall survival (mOS) was significantly shorter in the low PI group (13.1 vs. 30.0 months, p = 0.002) in this study, and PI ≥ 0.78 (OR = 0.552, 95% CI: 0.301–0.904, p = 0.020) was an independent influencing factor confirmed by multivariate analysis. Subgroup analysis showed that PI was an independent prognostic factor for LA‐PBTC (OR = 0.272, 95% CI: 0.077–0.969, p = 0.045). As for BR PBTC, PI (OR = 0.519, 95% CI: 0.285–0.947, p = 0.033) combined with carbohydrate antigen 125 (CA125) (OR = 2.806, 95% CI: 1.206–6.526, p = 0.017) and chemotherapy (OR = 0.327, 95% CI: 0.140–0.763, p = 0.010) were independent factors.ConclusionThis study suggests that the PI can be used as a predictive factor to optimize the surgical indication for PBTC with vascular involvement. Preoperative patients with normal PI and CA125 can achieve a long‐term prognosis comparable to that of resectable PBTC patients.
Antibacterial Activity of Quinoline‐Based Derivatives against Methicillin‐Resistant Staphylococcus aureus and Pseudomonas aeruginosa: Design, Synthesis, DFT and Molecular Dynamic Simulations
Authors: Sabt Ahmed , Abdelraof Mohamed , Hamissa Mohamed Farouk , Noamaan Mahmoud A. 
Published: November 2023

AbstractBacterial virulence becomes a significant challenge for clinical treatments, particularly those characterized as Multi‐Drug‐Resistant (MDR) strains. Therefore, the preparation of new compounds with active moieties could be a successful approach for eradication of MDR strains. For this purpose, newly synthesized quinoline compounds were prepared and tested for their antimicrobial activity against Methicillin‐Resistant Staphylococcus Aureus (MRSA) and Pseudomonas Aeruginosa (PA). Among the synthesized derivatives, compounds 1‐(quinolin‐2‐ylamino)pyrrolidine‐2,5‐dione (8) and 2‐(2‐((5‐methylfuran‐2‐yl)methylene)hydrazinyl)quinoline (12) were shown to possess the highest antimicrobial activity with the minimum inhibitory concentration with the values of 5±2.2 and10±1.5 μg/mL towards Pseudomonas aeruginosa without any activity towards MRSA. Interestingly, compounds 2‐(2‐((1H‐indol‐3‐yl)methylene)hydrazinyl)quinoline (13) and 2‐(4‐bromophenyl)‐3‐(quinolin‐2‐ylamino)thiazolidin‐4‐one (16c) showed significant inhibition activity against Staphylococcus aureus MRSA and Pseudomonas aeruginosa. Compound 13 (with indole moiety) particularly displayed excellent bactericidal activity with low MIC values 20±3.3 and 10±1.5 μg/mL against Staphylococcus aureus MRSA and Pseudomonas aeruginosa, respectively. Effects molecular modelling was used to determine the mode of action for the antimicrobial effect. The stability of complexes formed by docking and target‐ligand pairing was evaluated using molecular dynamics simulations. The compounds were also tested for binding affinity to the target protein using MM‐PBSA. Density‐functional theory (DFT) calculations were also used to investigate the electrochemical properties of various compounds.